Ligand source activities (1 row/activity)
Ligands | Receptor | Assay information | Chemical information | ||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sel. page | Common name |
GPCRdb ID | #Vendors | Reference ligand |
Fold selectivity (Potency) |
# tested GPCRs (Potency) |
Species | p-value (-log) |
Type | Activity Relation |
Activity Value |
Assay Type | Assay Description | Source | Mol weight |
Rot Bonds |
H don | H acc | LogP | Smiles | DOI |
155491018 | 174059 | 1 | None | -2 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 395 | 3 | 2 | 5 | 3.1 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4544504 | 174059 | 1 | None | -2 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 395 | 3 | 2 | 5 | 3.1 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 | 10.1021/acs.jmedchem.9b00742 | ||
10585 | 1074 | 1 | None | 1 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
145996522 | 1074 | 1 | None | 1 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4531005 | 1074 | 1 | None | 1 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
155491018 | 174059 | 1 | None | -2 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 395 | 3 | 2 | 5 | 3.1 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4544504 | 174059 | 1 | None | -2 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 395 | 3 | 2 | 5 | 3.1 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 | 10.1021/acs.jmedchem.9b00742 | ||
10585 | 1074 | 1 | None | 1 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
145996522 | 1074 | 1 | None | 1 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4531005 | 1074 | 1 | None | 1 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
155491018 | 174059 | 1 | None | -2 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 395 | 3 | 2 | 5 | 3.1 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4544504 | 174059 | 1 | None | -2 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 395 | 3 | 2 | 5 | 3.1 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 | 10.1021/acs.jmedchem.9b00742 | ||
155491018 | 174059 | 1 | None | -2 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 395 | 3 | 2 | 5 | 3.1 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4544504 | 174059 | 1 | None | -2 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 395 | 3 | 2 | 5 | 3.1 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 | 10.1021/acs.jmedchem.9b00742 | ||
44453327 | 95066 | 25 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 439 | 6 | 2 | 3 | 3.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2004.08.009 | ||
CHEMBL255408 | 95066 | 25 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 439 | 6 | 2 | 3 | 3.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2004.08.009 | ||
10585 | 1074 | 1 | None | 1 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
145996522 | 1074 | 1 | None | 1 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4531005 | 1074 | 1 | None | 1 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
10585 | 1074 | 1 | None | 1 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
145996522 | 1074 | 1 | None | 1 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4531005 | 1074 | 1 | None | 1 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
155491018 | 174059 | 1 | None | -2 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 395 | 3 | 2 | 5 | 3.1 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4544504 | 174059 | 1 | None | -2 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 395 | 3 | 2 | 5 | 3.1 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 | 10.1021/acs.jmedchem.9b00742 | ||
155491018 | 174059 | 1 | None | -2 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 395 | 3 | 2 | 5 | 3.1 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4544504 | 174059 | 1 | None | -2 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 395 | 3 | 2 | 5 | 3.1 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 | 10.1021/acs.jmedchem.9b00742 | ||
69212799 | 77947 | 3 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 439 | 6 | 2 | 3 | 3.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2004.08.009 | ||
CHEMBL2096789 | 77947 | 3 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 439 | 6 | 2 | 3 | 3.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2004.08.009 | ||
508750 | 168511 | 1 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 467 | 7 | 2 | 3 | 4.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NCC1CCN(Cc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2004.08.009 | ||
CHEMBL435499 | 168511 | 1 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 467 | 7 | 2 | 3 | 4.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NCC1CCN(Cc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2004.08.009 | ||
10585 | 1074 | 1 | None | 1 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
145996522 | 1074 | 1 | None | 1 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4531005 | 1074 | 1 | None | 1 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
10585 | 1074 | 1 | None | 1 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
145996522 | 1074 | 1 | None | 1 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4531005 | 1074 | 1 | None | 1 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
44395055 | 64474 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 453 | 6 | 2 | 3 | 3.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CCCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2004.08.009 | ||
CHEMBL181432 | 64474 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 453 | 6 | 2 | 3 | 3.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CCCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2004.08.009 | ||
73351183 | 93205 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 453 | 7 | 2 | 3 | 3.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC[C@@H]1CCCN1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2004.08.009 | ||
CHEMBL2448120 | 93205 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 453 | 7 | 2 | 3 | 3.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC[C@@H]1CCCN1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2004.08.009 | ||
70697571 | 77946 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 453 | 7 | 2 | 3 | 3.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC[C@H]1CCCN1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2004.08.009 | ||
CHEMBL2096788 | 77946 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 453 | 7 | 2 | 3 | 3.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC[C@H]1CCCN1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2004.08.009 | ||
11735999 | 189326 | 0 | None | - | 1 | Human | 10.4 | pED50 | = | 10.4 | Functional | ChEMBL | 212 | 1 | 2 | 2 | 0.8 | CC(C)(C)C(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
CHEMBL512607 | 189326 | 0 | None | - | 1 | Human | 10.4 | pED50 | = | 10.4 | Functional | ChEMBL | 212 | 1 | 2 | 2 | 0.8 | CC(C)(C)C(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
11322108 | 178543 | 0 | None | - | 1 | Human | 10.2 | pED50 | = | 10.2 | Functional | ChEMBL | 226 | 3 | 2 | 2 | 1.2 | CCC(C)(C)C(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
CHEMBL467070 | 178543 | 0 | None | - | 1 | Human | 10.2 | pED50 | = | 10.2 | Functional | ChEMBL | 226 | 3 | 2 | 2 | 1.2 | CCC(C)(C)C(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
11254190 | 189328 | 0 | None | - | 0 | Human | 10.1 | pED50 | = | 10.1 | Functional | ChEMBL | 268 | 5 | 2 | 2 | 2.2 | CC(C)CCC(C)(C)C(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
CHEMBL512615 | 189328 | 0 | None | - | 0 | Human | 10.1 | pED50 | = | 10.1 | Functional | ChEMBL | 268 | 5 | 2 | 2 | 2.2 | CC(C)CCC(C)(C)C(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
11651747 | 173745 | 0 | None | - | 0 | Human | 10.1 | pED50 | = | 10.1 | Functional | ChEMBL | 252 | 2 | 2 | 2 | 1.7 | CC1(C(=O)N[C@H]2CCCCNC2=O)CCCCC1 | 10.1021/jm900133w | ||
CHEMBL453720 | 173745 | 0 | None | - | 0 | Human | 10.1 | pED50 | = | 10.1 | Functional | ChEMBL | 252 | 2 | 2 | 2 | 1.7 | CC1(C(=O)N[C@H]2CCCCNC2=O)CCCCC1 | 10.1021/jm900133w | ||
11659300 | 178740 | 0 | None | - | 0 | Human | 10.1 | pED50 | = | 10.1 | Functional | ChEMBL | 290 | 2 | 2 | 2 | 2.0 | O=C1NCCCC[C@@H]1NC(=O)C12CC3CC(CC(C3)C1)C2 | 10.1021/jm900133w | ||
CHEMBL468733 | 178740 | 0 | None | - | 0 | Human | 10.1 | pED50 | = | 10.1 | Functional | ChEMBL | 290 | 2 | 2 | 2 | 2.0 | O=C1NCCCC[C@@H]1NC(=O)C12CC3CC(CC(C3)C1)C2 | 10.1021/jm900133w | ||
11151928 | 189463 | 0 | None | 1 | 4 | Human | 10.1 | pED50 | = | 10.1 | Functional | ChEMBL | 338 | 11 | 2 | 2 | 4.3 | CCCCCCCCCCC(C)(C)C(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
CHEMBL513863 | 189463 | 0 | None | 1 | 4 | Human | 10.1 | pED50 | = | 10.1 | Functional | ChEMBL | 338 | 11 | 2 | 2 | 4.3 | CCCCCCCCCCC(C)(C)C(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
11173161 | 188783 | 0 | None | - | 1 | Human | 9.7 | pED50 | = | 9.7 | Functional | ChEMBL | 266 | 4 | 2 | 2 | 2.2 | CC(C)=CCC(C)(C)C(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
CHEMBL506023 | 188783 | 0 | None | - | 1 | Human | 9.7 | pED50 | = | 9.7 | Functional | ChEMBL | 266 | 4 | 2 | 2 | 2.2 | CC(C)=CCC(C)(C)C(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
44157844 | 189265 | 0 | None | - | 1 | Human | 9.4 | pED50 | = | 9.4 | Functional | ChEMBL | 290 | 2 | 2 | 2 | 2.0 | O=C1NCCCC[C@H]1NC(=O)C12CC3CC(CC(C3)C1)C2 | 10.1021/jm900133w | ||
CHEMBL512094 | 189265 | 0 | None | - | 1 | Human | 9.4 | pED50 | = | 9.4 | Functional | ChEMBL | 290 | 2 | 2 | 2 | 2.0 | O=C1NCCCC[C@H]1NC(=O)C12CC3CC(CC(C3)C1)C2 | 10.1021/jm900133w | ||
11218678 | 170329 | 0 | None | - | 1 | Human | 9.3 | pED50 | = | 9.3 | Functional | ChEMBL | 240 | 4 | 2 | 2 | 1.6 | CCCC(C)(C)C(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
CHEMBL444736 | 170329 | 0 | None | - | 1 | Human | 9.3 | pED50 | = | 9.3 | Functional | ChEMBL | 240 | 4 | 2 | 2 | 1.6 | CCCC(C)(C)C(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
11543222 | 193483 | 3 | None | - | 1 | Human | 9.3 | pED50 | = | 9.3 | Functional | ChEMBL | 238 | 2 | 2 | 2 | 1.4 | O=C(N[C@H]1CCCCNC1=O)C1CCCCC1 | 10.1021/jm900133w | ||
CHEMBL526704 | 193483 | 3 | None | - | 1 | Human | 9.3 | pED50 | = | 9.3 | Functional | ChEMBL | 238 | 2 | 2 | 2 | 1.4 | O=C(N[C@H]1CCCCNC1=O)C1CCCCC1 | 10.1021/jm900133w | ||
11536008 | 178570 | 0 | None | - | 0 | Human | 9.1 | pED50 | = | 9.1 | Functional | ChEMBL | 236 | 2 | 2 | 2 | 1.3 | O=C(N[C@H]1CCCCNC1=O)C1=CCCCC1 | 10.1021/jm900133w | ||
CHEMBL467276 | 178570 | 0 | None | - | 0 | Human | 9.1 | pED50 | = | 9.1 | Functional | ChEMBL | 236 | 2 | 2 | 2 | 1.3 | O=C(N[C@H]1CCCCNC1=O)C1=CCCCC1 | 10.1021/jm900133w | ||
11551248 | 178636 | 0 | None | - | 0 | Human | 9.1 | pED50 | = | 9.1 | Functional | ChEMBL | 304 | 3 | 2 | 2 | 2.4 | O=C(CC12CC3CC(CC(C3)C1)C2)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
CHEMBL467685 | 178636 | 0 | None | - | 0 | Human | 9.1 | pED50 | = | 9.1 | Functional | ChEMBL | 304 | 3 | 2 | 2 | 2.4 | O=C(CC12CC3CC(CC(C3)C1)C2)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
11390777 | 172592 | 0 | None | - | 0 | Human | 9.0 | pED50 | = | 9 | Functional | ChEMBL | 238 | 4 | 2 | 2 | 1.4 | C=CCC(C)(C)C(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
CHEMBL449215 | 172592 | 0 | None | - | 0 | Human | 9.0 | pED50 | = | 9 | Functional | ChEMBL | 238 | 4 | 2 | 2 | 1.4 | C=CCC(C)(C)C(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
11198073 | 178455 | 0 | None | - | 1 | Human | 8.0 | pED50 | = | 8 | Functional | ChEMBL | 322 | 10 | 2 | 2 | 3.9 | CCCCCCCCC/C=C(\C)C(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
CHEMBL466434 | 178455 | 0 | None | - | 1 | Human | 8.0 | pED50 | = | 8 | Functional | ChEMBL | 322 | 10 | 2 | 2 | 3.9 | CCCCCCCCC/C=C(\C)C(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
11370332 | 63266 | 0 | None | - | 1 | Human | 7.8 | pED50 | = | 7.8 | Functional | ChEMBL | 310 | 11 | 2 | 2 | 3.7 | CCCCCCCCCCCC(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
CHEMBL179312 | 63266 | 0 | None | - | 1 | Human | 7.8 | pED50 | = | 7.8 | Functional | ChEMBL | 310 | 11 | 2 | 2 | 3.7 | CCCCCCCCCCCC(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
44157843 | 178453 | 0 | None | - | 1 | Human | 6.7 | pED50 | = | 6.7 | Functional | ChEMBL | 324 | 11 | 2 | 2 | 3.9 | CCCCCCCCCCC(C)C(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
CHEMBL466432 | 178453 | 0 | None | - | 1 | Human | 6.7 | pED50 | = | 6.7 | Functional | ChEMBL | 324 | 11 | 2 | 2 | 3.9 | CCCCCCCCCCC(C)C(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
44157843 | 178453 | 0 | None | - | 1 | Human | 8.5 | pED50 | = | 8.5 | Functional | ChEMBL | 324 | 11 | 2 | 2 | 3.9 | CCCCCCCCCCC(C)C(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
CHEMBL466432 | 178453 | 0 | None | - | 1 | Human | 8.5 | pED50 | = | 8.5 | Functional | ChEMBL | 324 | 11 | 2 | 2 | 3.9 | CCCCCCCCCCC(C)C(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
11151929 | 178739 | 0 | None | - | 0 | Human | 8.4 | pED50 | = | 8.4 | Functional | ChEMBL | 338 | 11 | 2 | 2 | 4.3 | CCCCCCCCCC(C)(C)CC(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
CHEMBL468732 | 178739 | 0 | None | - | 0 | Human | 8.4 | pED50 | = | 8.4 | Functional | ChEMBL | 338 | 11 | 2 | 2 | 4.3 | CCCCCCCCCC(C)(C)CC(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
11359715 | 178738 | 0 | None | - | 0 | Human | 8.4 | pED50 | = | 8.4 | Functional | ChEMBL | 338 | 11 | 2 | 2 | 4.3 | CCCCCCCCCCC(C)(C)C(=O)N[C@@H]1CCCCNC1=O | 10.1021/jm900133w | ||
CHEMBL468720 | 178738 | 0 | None | - | 0 | Human | 8.4 | pED50 | = | 8.4 | Functional | ChEMBL | 338 | 11 | 2 | 2 | 4.3 | CCCCCCCCCCC(C)(C)C(=O)N[C@@H]1CCCCNC1=O | 10.1021/jm900133w | ||
11544064 | 178454 | 0 | None | - | 1 | Human | 8.3 | pED50 | = | 8.3 | Functional | ChEMBL | 308 | 6 | 2 | 2 | 3.2 | CCCCCC1CCC(C(=O)N[C@H]2CCCCNC2=O)CC1 | 10.1021/jm900133w | ||
CHEMBL466433 | 178454 | 0 | None | - | 1 | Human | 8.3 | pED50 | = | 8.3 | Functional | ChEMBL | 308 | 6 | 2 | 2 | 3.2 | CCCCCC1CCC(C(=O)N[C@H]2CCCCNC2=O)CC1 | 10.1021/jm900133w | ||
11609693 | 189188 | 0 | None | - | 0 | Human | 8.2 | pED50 | = | 8.2 | Functional | ChEMBL | 334 | 6 | 2 | 2 | 3.7 | CCCCCC12CCC(C(=O)N[C@H]3CCCCNC3=O)(CC1)CC2 | 10.1021/jm900133w | ||
CHEMBL511426 | 189188 | 0 | None | - | 0 | Human | 8.2 | pED50 | = | 8.2 | Functional | ChEMBL | 334 | 6 | 2 | 2 | 3.7 | CCCCCC12CCC(C(=O)N[C@H]3CCCCNC3=O)(CC1)CC2 | 10.1021/jm900133w | ||
11437477 | 188600 | 0 | None | - | 1 | Human | 8.1 | pED50 | = | 8.1 | Functional | ChEMBL | 280 | 4 | 2 | 2 | 1.3 | CC(CCl)(CCl)C(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
CHEMBL502976 | 188600 | 0 | None | - | 1 | Human | 8.1 | pED50 | = | 8.1 | Functional | ChEMBL | 280 | 4 | 2 | 2 | 1.3 | CC(CCl)(CCl)C(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
44593562 | 187471 | 0 | None | - | 1 | Human | 10.0 | pIC50 | = | 10 | Functional | ChEMBL | 494 | 6 | 2 | 3 | 5.6 | CC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | ||
CHEMBL494191 | 187471 | 0 | None | - | 1 | Human | 10.0 | pIC50 | = | 10 | Functional | ChEMBL | 494 | 6 | 2 | 3 | 5.6 | CC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | ||
86642531 | 138278 | 0 | None | 10 | 2 | Human | 9.9 | pIC50 | = | 9.9 | Functional | ChEMBL | 482 | 2 | 2 | 6 | 2.6 | CC(C)(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3nc(C(F)(F)F)c(Cl)s3)CC2)C1 | 10.1039/C5MD00362H | ||
CHEMBL3770912 | 138278 | 0 | None | 10 | 2 | Human | 9.9 | pIC50 | = | 9.9 | Functional | ChEMBL | 482 | 2 | 2 | 6 | 2.6 | CC(C)(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3nc(C(F)(F)F)c(Cl)s3)CC2)C1 | 10.1039/C5MD00362H | ||
44425645 | 86053 | 0 | None | 7 | 2 | Human | 9.8 | pIC50 | = | 9.8 | Functional | ChEMBL | 528 | 5 | 1 | 2 | 7.0 | CC(C)[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
CHEMBL230933 | 86053 | 0 | None | 7 | 2 | Human | 9.8 | pIC50 | = | 9.8 | Functional | ChEMBL | 528 | 5 | 1 | 2 | 7.0 | CC(C)[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
10240064 | 188404 | 0 | None | - | 1 | Human | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 599 | 10 | 2 | 6 | 4.6 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL502247 | 188404 | 0 | None | - | 1 | Human | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 599 | 10 | 2 | 6 | 4.6 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
44593562 | 187471 | 0 | None | - | 1 | Human | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 494 | 6 | 2 | 3 | 5.6 | CC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | ||
CHEMBL494191 | 187471 | 0 | None | - | 1 | Human | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 494 | 6 | 2 | 3 | 5.6 | CC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | ||
44425652 | 168744 | 0 | None | 12 | 2 | Human | 9.6 | pIC50 | = | 9.6 | Functional | ChEMBL | 526 | 5 | 1 | 2 | 6.7 | C[C@H]1CN([C@@H]2CC[C@@](C(=O)NCc3cc(F)cc(C(F)(F)F)c3)(C3CC3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
CHEMBL437359 | 168744 | 0 | None | 12 | 2 | Human | 9.6 | pIC50 | = | 9.6 | Functional | ChEMBL | 526 | 5 | 1 | 2 | 6.7 | C[C@H]1CN([C@@H]2CC[C@@](C(=O)NCc3cc(F)cc(C(F)(F)F)c3)(C3CC3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
10289827 | 187952 | 0 | None | - | 1 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 571 | 9 | 2 | 6 | 3.8 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL497202 | 187952 | 0 | None | - | 1 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 571 | 9 | 2 | 6 | 3.8 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
44593563 | 193086 | 0 | None | - | 1 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 508 | 7 | 2 | 3 | 5.9 | CCC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | ||
CHEMBL522688 | 193086 | 0 | None | - | 1 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 508 | 7 | 2 | 3 | 5.9 | CCC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | ||
44425647 | 86072 | 0 | None | 5 | 2 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 542 | 6 | 1 | 2 | 7.4 | CC(C)C[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
CHEMBL231039 | 86072 | 0 | None | 5 | 2 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 542 | 6 | 1 | 2 | 7.4 | CC(C)C[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
44425292 | 85939 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 627 | 9 | 3 | 5 | 6.6 | CNC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL230281 | 85939 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 627 | 9 | 3 | 5 | 6.6 | CNC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
44425292 | 85939 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 627 | 9 | 3 | 5 | 6.6 | CNC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL230281 | 85939 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 627 | 9 | 3 | 5 | 6.6 | CNC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
10240064 | 188404 | 0 | None | - | 1 | Human | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 599 | 10 | 2 | 6 | 4.6 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL502247 | 188404 | 0 | None | - | 1 | Human | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 599 | 10 | 2 | 6 | 4.6 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
46865775 | 8082 | 0 | None | - | 1 | Human | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 579 | 8 | 1 | 5 | 4.4 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2010.03.035 | ||
CHEMBL1091605 | 8082 | 0 | None | - | 1 | Human | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 579 | 8 | 1 | 5 | 4.4 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2010.03.035 | ||
24801689 | 97766 | 0 | None | - | 1 | Human | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 651 | 9 | 5 | 6 | 3.5 | NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)C2CCCCC2)cc1 | 10.1021/jm701488f | ||
CHEMBL271828 | 97766 | 0 | None | - | 1 | Human | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 651 | 9 | 5 | 6 | 3.5 | NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)C2CCCCC2)cc1 | 10.1021/jm701488f | ||
44425255 | 168860 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 650 | 8 | 2 | 5 | 7.2 | CC(=O)Nc1nc(C(CCN2CCC3(C=Cc4ccccc43)[C@@H](C)C2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
CHEMBL438304 | 168860 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 650 | 8 | 2 | 5 | 7.2 | CC(=O)Nc1nc(C(CCN2CCC3(C=Cc4ccccc43)[C@@H](C)C2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
44425652 | 168744 | 0 | None | 12 | 2 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 526 | 5 | 1 | 2 | 6.7 | C[C@H]1CN([C@@H]2CC[C@@](C(=O)NCc3cc(F)cc(C(F)(F)F)c3)(C3CC3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
CHEMBL437359 | 168744 | 0 | None | 12 | 2 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 526 | 5 | 1 | 2 | 6.7 | C[C@H]1CN([C@@H]2CC[C@@](C(=O)NCc3cc(F)cc(C(F)(F)F)c3)(C3CC3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
59370257 | 138139 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 428 | 2 | 2 | 6 | 1.9 | Cc1nc(NC(=O)N2CCN(C(=O)[C@H]3CN(C(C)(C)C)CCN3)CC2)sc1Cl | 10.1039/C5MD00362H | ||
CHEMBL3769444 | 138139 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 428 | 2 | 2 | 6 | 1.9 | Cc1nc(NC(=O)N2CCN(C(=O)[C@H]3CN(C(C)(C)C)CCN3)CC2)sc1Cl | 10.1039/C5MD00362H | ||
10129192 | 188435 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 599 | 11 | 2 | 6 | 4.6 | CCN(CC)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccc(SC)cc2)C1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL502793 | 188435 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 599 | 11 | 2 | 6 | 4.6 | CCN(CC)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccc(SC)cc2)C1 | 10.1016/j.bmcl.2009.05.041 | ||
11598 | 670 | 9 | None | 812 | 2 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 506 | 6 | 2 | 6 | 3.4 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/acsmedchemlett.1c00373 | ||
23725177 | 670 | 9 | None | 812 | 2 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 506 | 6 | 2 | 6 | 3.4 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/acsmedchemlett.1c00373 | ||
CHEMBL4442783 | 670 | 9 | None | 812 | 2 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 506 | 6 | 2 | 6 | 3.4 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/acsmedchemlett.1c00373 | ||
44425254 | 142235 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 636 | 8 | 2 | 5 | 7.0 | CC(=O)Nc1nc(C(CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
CHEMBL388487 | 142235 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 636 | 8 | 2 | 5 | 7.0 | CC(=O)Nc1nc(C(CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
16216716 | 153505 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 612 | 9 | 2 | 5 | 6.8 | CC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
CHEMBL397996 | 153505 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 612 | 9 | 2 | 5 | 6.8 | CC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
44425645 | 86053 | 0 | None | 7 | 2 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 528 | 5 | 1 | 2 | 7.0 | CC(C)[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
CHEMBL230933 | 86053 | 0 | None | 7 | 2 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 528 | 5 | 1 | 2 | 7.0 | CC(C)[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
11597 | 671 | 5 | None | 11 | 2 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 506 | 5 | 3 | 6 | 3.5 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)NC(C)(C)C | 10.1021/acsmedchemlett.1c00373 | ||
23725180 | 671 | 5 | None | 11 | 2 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 506 | 5 | 3 | 6 | 3.5 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)NC(C)(C)C | 10.1021/acsmedchemlett.1c00373 | ||
CHEMBL4781426 | 671 | 5 | None | 11 | 2 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 506 | 5 | 3 | 6 | 3.5 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)NC(C)(C)C | 10.1021/acsmedchemlett.1c00373 | ||
51039119 | 176193 | 33 | None | -1 | 3 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 484 | 5 | 3 | 8 | 2.2 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3cc(C(C)(C)C)nn23)C1=O | 10.1021/acsmedchemlett.1c00373 | ||
CHEMBL4594419 | 176193 | 33 | None | -1 | 3 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 484 | 5 | 3 | 8 | 2.2 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3cc(C(C)(C)C)nn23)C1=O | 10.1021/acsmedchemlett.1c00373 | ||
44593564 | 187208 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 498 | 6 | 2 | 3 | 5.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2008.12.050 | ||
CHEMBL492564 | 187208 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 498 | 6 | 2 | 3 | 5.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2008.12.050 | ||
25022597 | 95310 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 448 | 6 | 3 | 4 | 3.0 | Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)c(C)c1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL256629 | 95310 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 448 | 6 | 3 | 4 | 3.0 | Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)c(C)c1 | 10.1016/j.bmcl.2008.02.015 | ||
44453440 | 97660 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 448 | 7 | 3 | 4 | 3.0 | CCc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL271288 | 97660 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 448 | 7 | 3 | 4 | 3.0 | CCc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
183790 | 3715 | 11 | None | -1 | 5 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.bmc.2015.02.019 | ||
783 | 3715 | 11 | None | -1 | 5 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.bmc.2015.02.019 | ||
CHEMBL1178786 | 3715 | 11 | None | -1 | 5 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.bmc.2015.02.019 | ||
183790 | 3715 | 11 | None | -1 | 5 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.ejmech.2017.04.046 | ||
783 | 3715 | 11 | None | -1 | 5 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.ejmech.2017.04.046 | ||
CHEMBL1178786 | 3715 | 11 | None | -1 | 5 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.ejmech.2017.04.046 | ||
24801690 | 98013 | 25 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 593 | 9 | 5 | 5 | 4.5 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL273083 | 98013 | 25 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 593 | 9 | 5 | 5 | 4.5 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
57402219 | 70979 | 0 | None | 52 | 2 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 503 | 6 | 3 | 4 | 3.8 | Cc1ccc([C@]2(O)CC[C@H](N3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1021/ml200030q | ||
CHEMBL1951766 | 70979 | 0 | None | 52 | 2 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 503 | 6 | 3 | 4 | 3.8 | Cc1ccc([C@]2(O)CC[C@H](N3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1021/ml200030q | ||
24801690 | 98013 | 25 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 593 | 9 | 5 | 5 | 4.5 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)cc1 | 10.1021/jm701488f | ||
CHEMBL273083 | 98013 | 25 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 593 | 9 | 5 | 5 | 4.5 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)cc1 | 10.1021/jm701488f | ||
44593564 | 187208 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 498 | 6 | 2 | 3 | 5.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2008.12.050 | ||
CHEMBL492564 | 187208 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 498 | 6 | 2 | 3 | 5.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2008.12.050 | ||
44573649 | 187211 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 548 | 6 | 2 | 3 | 6.1 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2C(F)(F)F)C1 | 10.1016/j.bmcl.2008.12.050 | ||
CHEMBL492569 | 187211 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 548 | 6 | 2 | 3 | 6.1 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2C(F)(F)F)C1 | 10.1016/j.bmcl.2008.12.050 | ||
44593562 | 187471 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 494 | 6 | 2 | 3 | 5.6 | CC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | ||
CHEMBL494191 | 187471 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 494 | 6 | 2 | 3 | 5.6 | CC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | ||
10175425 | 193509 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 614 | 10 | 3 | 7 | 4.2 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL526752 | 193509 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 614 | 10 | 3 | 7 | 4.2 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
127025088 | 138238 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 420 | 3 | 2 | 6 | 1.8 | CC(C)(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3nc(C4CC4)cs3)CC2)C1 | 10.1039/C5MD00362H | ||
CHEMBL3770530 | 138238 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 420 | 3 | 2 | 6 | 1.8 | CC(C)(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3nc(C4CC4)cs3)CC2)C1 | 10.1039/C5MD00362H | ||
127025086 | 138158 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 442 | 4 | 2 | 6 | 2.3 | CC(C)c1nc(NC(=O)N2CCN(C(=O)[C@H]3CN(C(C)C)CCN3)CC2)sc1Cl | 10.1039/C5MD00362H | ||
CHEMBL3769610 | 138158 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 442 | 4 | 2 | 6 | 2.3 | CC(C)c1nc(NC(=O)N2CCN(C(=O)[C@H]3CN(C(C)C)CCN3)CC2)sc1Cl | 10.1039/C5MD00362H | ||
46865774 | 8081 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 553 | 9 | 2 | 5 | 3.9 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2010.03.035 | ||
CHEMBL1091604 | 8081 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 553 | 9 | 2 | 5 | 3.9 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2010.03.035 | ||
86642531 | 138278 | 0 | None | -10 | 2 | Rat | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 482 | 2 | 2 | 6 | 2.6 | CC(C)(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3nc(C(F)(F)F)c(Cl)s3)CC2)C1 | 10.1039/C5MD00362H | ||
CHEMBL3770912 | 138278 | 0 | None | -10 | 2 | Rat | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 482 | 2 | 2 | 6 | 2.6 | CC(C)(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3nc(C(F)(F)F)c(Cl)s3)CC2)C1 | 10.1039/C5MD00362H | ||
10007642 | 19077 | 0 | None | 2 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 547 | 8 | 3 | 5 | 3.8 | CCO[C@H]1CN([C@H]2CC[C@@](O)(c3ccc(C)cc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
CHEMBL1289203 | 19077 | 0 | None | 2 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 547 | 8 | 3 | 5 | 3.8 | CCO[C@H]1CN([C@H]2CC[C@@](O)(c3ccc(C)cc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
10218403 | 187886 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 557 | 9 | 3 | 6 | 3.5 | CN[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccc(SC)cc2)C1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL496630 | 187886 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 557 | 9 | 3 | 6 | 3.5 | CN[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccc(SC)cc2)C1 | 10.1016/j.bmcl.2009.05.041 | ||
46886055 | 8012 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 593 | 9 | 1 | 5 | 4.8 | CCN(C(C)C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2010.03.035 | ||
CHEMBL1090893 | 8012 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 593 | 9 | 1 | 5 | 4.8 | CCN(C(C)C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2010.03.035 | ||
127025093 | 138189 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 428 | 4 | 2 | 6 | 1.7 | CCc1nc(NC(=O)N2CCN(C(=O)[C@H]3CN(C(C)C)CCN3)CC2)sc1Cl | 10.1039/C5MD00362H | ||
CHEMBL3769984 | 138189 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 428 | 4 | 2 | 6 | 1.7 | CCc1nc(NC(=O)N2CCN(C(=O)[C@H]3CN(C(C)C)CCN3)CC2)sc1Cl | 10.1039/C5MD00362H | ||
46830335 | 8183 | 8 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 565 | 8 | 2 | 5 | 2.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3ccccc3Cl)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL1092238 | 8183 | 8 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 565 | 8 | 2 | 5 | 2.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3ccccc3Cl)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
11365166 | 74515 | 1 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 573 | 7 | 3 | 7 | 4.0 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4nccs4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
CHEMBL2029423 | 74515 | 1 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 573 | 7 | 3 | 7 | 4.0 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4nccs4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
52941377 | 19297 | 0 | None | 7 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 531 | 9 | 2 | 4 | 4.8 | CCCO[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
CHEMBL1290637 | 19297 | 0 | None | 7 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 531 | 9 | 2 | 4 | 4.8 | CCCO[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
16216716 | 153505 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 612 | 9 | 2 | 5 | 6.8 | CC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL397996 | 153505 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 612 | 9 | 2 | 5 | 6.8 | CC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
44425292 | 85939 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 627 | 9 | 3 | 5 | 6.6 | CNC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
CHEMBL230281 | 85939 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 627 | 9 | 3 | 5 | 6.6 | CNC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
16216716 | 153505 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 612 | 9 | 2 | 5 | 6.8 | CC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL397996 | 153505 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 612 | 9 | 2 | 5 | 6.8 | CC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
11353855 | 74520 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 595 | 6 | 2 | 8 | 4.2 | O=C(C1CCN(c2cc(C(F)(F)F)ccn2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | ||
CHEMBL2029568 | 74520 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 595 | 6 | 2 | 8 | 4.2 | O=C(C1CCN(c2cc(C(F)(F)F)ccn2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | ||
44425652 | 168744 | 0 | None | 12 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 526 | 5 | 1 | 2 | 6.7 | C[C@H]1CN([C@@H]2CC[C@@](C(=O)NCc3cc(F)cc(C(F)(F)F)c3)(C3CC3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL437359 | 168744 | 0 | None | 12 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 526 | 5 | 1 | 2 | 6.7 | C[C@H]1CN([C@@H]2CC[C@@](C(=O)NCc3cc(F)cc(C(F)(F)F)c3)(C3CC3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
44425652 | 168744 | 0 | None | 12 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 526 | 5 | 1 | 2 | 6.7 | C[C@H]1CN([C@@H]2CC[C@@](C(=O)NCc3cc(F)cc(C(F)(F)F)c3)(C3CC3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL437359 | 168744 | 0 | None | 12 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 526 | 5 | 1 | 2 | 6.7 | C[C@H]1CN([C@@H]2CC[C@@](C(=O)NCc3cc(F)cc(C(F)(F)F)c3)(C3CC3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
57335017 | 70309 | 0 | None | 1380 | 2 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 595 | 8 | 4 | 6 | 2.8 | N[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCC2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
CHEMBL1944776 | 70309 | 0 | None | 1380 | 2 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 595 | 8 | 4 | 6 | 2.8 | N[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCC2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
70691785 | 73698 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 606 | 12 | 6 | 6 | 2.9 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)N1CCNCC1 | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018391 | 73698 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 606 | 12 | 6 | 6 | 2.9 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)N1CCNCC1 | 10.1016/j.bmcl.2012.03.007 | ||
46830336 | 7818 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 567 | 8 | 2 | 5 | 2.4 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3cc(F)ccc3F)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL1089793 | 7818 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 567 | 8 | 2 | 5 | 2.4 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3cc(F)ccc3F)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
54754967 | 77801 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 518 | 7 | 4 | 7 | 3.0 | COc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNc4n[nH]c5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL2092884 | 77801 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 518 | 7 | 4 | 7 | 3.0 | COc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNc4n[nH]c5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2011.08.074 | ||
10239991 | 188423 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 585 | 10 | 3 | 6 | 4.3 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](NC(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL502516 | 188423 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 585 | 10 | 3 | 6 | 4.3 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](NC(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
57391766 | 70988 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3cnccn3)CC2)C1 | 10.1021/ml200030q | ||
CHEMBL1951776 | 70988 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3cnccn3)CC2)C1 | 10.1021/ml200030q | ||
10187492 | 147765 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 549 | 11 | 5 | 5 | 3.7 | CCNc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H](CNCc1ccc(C)cc1C)C(=O)NC(C)(C)C | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL393267 | 147765 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 549 | 11 | 5 | 5 | 3.7 | CCNc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H](CNCc1ccc(C)cc1C)C(=O)NC(C)(C)C | 10.1016/j.bmcl.2007.07.028 | ||
25256791 | 187667 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 494 | 6 | 2 | 3 | 5.6 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N[C@H]2CCOC[C@H]2C)C1 | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL495202 | 187667 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 494 | 6 | 2 | 3 | 5.6 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N[C@H]2CCOC[C@H]2C)C1 | 10.1016/j.bmcl.2010.02.072 | ||
11502371 | 153104 | 3 | None | 22 | 2 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 407 | 5 | 1 | 2 | 5.0 | C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
CHEMBL397647 | 153104 | 3 | None | 22 | 2 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 407 | 5 | 1 | 2 | 5.0 | C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
11502371 | 153104 | 3 | None | 22 | 2 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 407 | 5 | 1 | 2 | 5.0 | C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
CHEMBL397647 | 153104 | 3 | None | 22 | 2 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 407 | 5 | 1 | 2 | 5.0 | C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
10154434 | 58759 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 342 | 4 | 2 | 5 | 3.2 | CC(C)Oc1cccc(NC(=O)NC(=O)c2ccc3c(c2)OCO3)c1 | 10.1021/jm1012903 | ||
CHEMBL1687955 | 58759 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 342 | 4 | 2 | 5 | 3.2 | CC(C)Oc1cccc(NC(=O)NC(=O)c2ccc3c(c2)OCO3)c1 | 10.1021/jm1012903 | ||
44413167 | 79690 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 447 | 8 | 2 | 3 | 4.2 | CN(C)CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL211560 | 79690 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 447 | 8 | 2 | 3 | 4.2 | CN(C)CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 | 10.1016/j.bmcl.2008.01.023 | ||
9967878 | 85050 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 342 | 4 | 2 | 3 | 3.9 | Fc1ccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)cc1F | 10.1016/j.bmc.2006.09.052 | ||
CHEMBL224510 | 85050 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 342 | 4 | 2 | 3 | 3.9 | Fc1ccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)cc1F | 10.1016/j.bmc.2006.09.052 | ||
44421867 | 85128 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 312 | 4 | 2 | 4 | 3.7 | c1cc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)cs1 | 10.1016/j.bmc.2006.09.052 | ||
CHEMBL225166 | 85128 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 312 | 4 | 2 | 4 | 3.7 | c1cc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)cs1 | 10.1016/j.bmc.2006.09.052 | ||
44421889 | 85190 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 307 | 4 | 1 | 3 | 3.6 | c1ccc(CN2CCCC(Oc3ccc4[nH]ncc4c3)C2)cc1 | 10.1016/j.bmc.2006.09.052 | ||
CHEMBL225582 | 85190 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 307 | 4 | 1 | 3 | 3.6 | c1ccc(CN2CCCC(Oc3ccc4[nH]ncc4c3)C2)cc1 | 10.1016/j.bmc.2006.09.052 | ||
21098519 | 85201 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 336 | 5 | 2 | 4 | 3.6 | COc1ccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)cc1 | 10.1016/j.bmc.2006.09.052 | ||
CHEMBL225637 | 85201 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 336 | 5 | 2 | 4 | 3.6 | COc1ccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)cc1 | 10.1016/j.bmc.2006.09.052 | ||
21098523 | 142264 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 320 | 4 | 2 | 3 | 3.9 | Cc1ccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)cc1 | 10.1016/j.bmc.2006.09.052 | ||
CHEMBL388516 | 142264 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 320 | 4 | 2 | 3 | 3.9 | Cc1ccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)cc1 | 10.1016/j.bmc.2006.09.052 | ||
44421913 | 161860 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 334 | 4 | 2 | 3 | 3.4 | O=C(Nc1ccc2[nH]ncc2c1)C1CCCN(Cc2ccccc2)C1 | 10.1016/j.bmc.2006.09.052 | ||
CHEMBL415061 | 161860 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 334 | 4 | 2 | 3 | 3.4 | O=C(Nc1ccc2[nH]ncc2c1)C1CCCN(Cc2ccccc2)C1 | 10.1016/j.bmc.2006.09.052 | ||
21098488 | 166243 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 340 | 4 | 2 | 3 | 4.3 | Clc1ccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)cc1 | 10.1016/j.bmc.2006.09.052 | ||
CHEMBL426925 | 166243 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 340 | 4 | 2 | 3 | 4.3 | Clc1ccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)cc1 | 10.1016/j.bmc.2006.09.052 | ||
21098490 | 166301 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 326 | 4 | 2 | 3 | 3.9 | Clc1ccc(CN2CCC(Nc3ccc4[nH]ncc4c3)C2)cc1 | 10.1016/j.bmc.2006.09.052 | ||
CHEMBL427245 | 166301 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 326 | 4 | 2 | 3 | 3.9 | Clc1ccc(CN2CCC(Nc3ccc4[nH]ncc4c3)C2)cc1 | 10.1016/j.bmc.2006.09.052 | ||
44421917 | 166303 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 321 | 4 | 3 | 4 | 3.2 | Nc1ccccc1CN1CCCC(Nc2ccc3[nH]ncc3c2)C1 | 10.1016/j.bmc.2006.09.052 | ||
CHEMBL427254 | 166303 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 321 | 4 | 3 | 4 | 3.2 | Nc1ccccc1CN1CCCC(Nc2ccc3[nH]ncc3c2)C1 | 10.1016/j.bmc.2006.09.052 | ||
9840006 | 142001 | 5 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 318 | 4 | 2 | 4 | 3.5 | Nc1cccc(CN2CC[C@@H](Nc3cccc4cnccc34)C2)c1 | 10.1016/j.bmc.2006.10.028 | ||
CHEMBL387625 | 142001 | 5 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 318 | 4 | 2 | 4 | 3.5 | Nc1cccc(CN2CC[C@@H](Nc3cccc4cnccc34)C2)c1 | 10.1016/j.bmc.2006.10.028 | ||
9956238 | 60168 | 1 | None | -79 | 4 | Rat | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 467 | 8 | 2 | 8 | 3.0 | Cc1nn(C)c2nc(N(C)CCN(C)C)c(C(=O)NC(=O)Nc3cccc(OC(C)C)c3)cc12 | 10.1021/jm1012903 | ||
CHEMBL1688889 | 60168 | 1 | None | -79 | 4 | Rat | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 467 | 8 | 2 | 8 | 3.0 | Cc1nn(C)c2nc(N(C)CCN(C)C)c(C(=O)NC(=O)Nc3cccc(OC(C)C)c3)cc12 | 10.1021/jm1012903 | ||
CHEMBL1739922 | 60168 | 1 | None | -79 | 4 | Rat | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 467 | 8 | 2 | 8 | 3.0 | Cc1nn(C)c2nc(N(C)CCN(C)C)c(C(=O)NC(=O)Nc3cccc(OC(C)C)c3)cc12 | 10.1021/jm1012903 | ||
44453002 | 155349 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 453 | 7 | 2 | 3 | 3.9 | O=C(CCNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL403424 | 155349 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 453 | 7 | 2 | 3 | 3.9 | O=C(CCNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
44421860 | 85019 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 295 | 4 | 3 | 3 | 3.0 | c1c[nH]c(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1 | 10.1016/j.bmc.2006.09.052 | ||
CHEMBL224166 | 85019 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 295 | 4 | 3 | 3 | 3.0 | c1c[nH]c(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1 | 10.1016/j.bmc.2006.09.052 | ||
9900683 | 141887 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 292 | 4 | 2 | 3 | 3.2 | c1ccc(CN2CCC(Nc3ccc4[nH]ncc4c3)C2)cc1 | 10.1016/j.bmc.2006.09.052 | ||
CHEMBL386937 | 141887 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 292 | 4 | 2 | 3 | 3.2 | c1ccc(CN2CCC(Nc3ccc4[nH]ncc4c3)C2)cc1 | 10.1016/j.bmc.2006.09.052 | ||
10065796 | 142042 | 4 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 339 | 4 | 1 | 3 | 4.2 | Fc1cccc(F)c1CN1CCC(Nc2cccc3cnccc23)C1 | 10.1016/j.bmc.2006.10.028 | ||
CHEMBL387954 | 142042 | 4 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 339 | 4 | 1 | 3 | 4.2 | Fc1cccc(F)c1CN1CCC(Nc2cccc3cnccc23)C1 | 10.1016/j.bmc.2006.10.028 | ||
54585109 | 62543 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 468 | 5 | 1 | 5 | 3.7 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1782579 | 62543 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 468 | 5 | 1 | 5 | 3.7 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.034 | ||
44453234 | 97443 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 489 | 7 | 2 | 4 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(OC(F)(F)F)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL270182 | 97443 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 489 | 7 | 2 | 4 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(OC(F)(F)F)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
22143196 | 183963 | 0 | None | -3 | 2 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 509 | 7 | 5 | 6 | 2.0 | CSc1ccc(C(=O)NC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
CHEMBL481790 | 183963 | 0 | None | -3 | 2 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 509 | 7 | 5 | 6 | 2.0 | CSc1ccc(C(=O)NC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
22143196 | 183963 | 0 | None | -3 | 2 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 509 | 7 | 5 | 6 | 2.0 | CSc1ccc(C(=O)NC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
CHEMBL481790 | 183963 | 0 | None | -3 | 2 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 509 | 7 | 5 | 6 | 2.0 | CSc1ccc(C(=O)NC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
44416138 | 138849 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 564 | 7 | 1 | 2 | 7.5 | C[C@H]1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CCC2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | ||
CHEMBL378195 | 138849 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 564 | 7 | 1 | 2 | 7.5 | C[C@H]1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CCC2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | ||
46927117 | 65398 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 490 | 7 | 2 | 5 | 3.4 | COc1ccc([C@H]2CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1016/j.bmcl.2011.06.080 | ||
CHEMBL1829619 | 65398 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 490 | 7 | 2 | 5 | 3.4 | COc1ccc([C@H]2CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1016/j.bmcl.2011.06.080 | ||
44453405 | 95407 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 469 | 6 | 4 | 5 | 2.6 | Nc1cc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)ccc1Cl | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL257062 | 95407 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 469 | 6 | 4 | 5 | 2.6 | Nc1cc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)ccc1Cl | 10.1016/j.bmcl.2008.02.015 | ||
44453407 | 95408 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 450 | 7 | 3 | 5 | 2.4 | COc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL257063 | 95408 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 450 | 7 | 3 | 5 | 2.4 | COc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
56675205 | 65765 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 486 | 6 | 3 | 5 | 4.2 | Cc1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4n[nH]c5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834788 | 65765 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 486 | 6 | 3 | 5 | 4.2 | Cc1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4n[nH]c5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2011.08.074 | ||
56671793 | 65766 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 486 | 6 | 2 | 6 | 3.9 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4cccnc4)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834789 | 65766 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 486 | 6 | 2 | 6 | 3.9 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4cccnc4)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
56671795 | 65769 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 478 | 6 | 3 | 6 | 4.0 | O=C(CNc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3cncs3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834792 | 65769 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 478 | 6 | 3 | 6 | 4.0 | O=C(CNc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3cncs3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
46884856 | 8312 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 566 | 8 | 2 | 4 | 3.8 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3cc(F)ccc3F)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL1092921 | 8312 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 566 | 8 | 2 | 4 | 3.8 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3cc(F)ccc3F)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
44583280 | 172425 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 640 | 9 | 3 | 6 | 4.9 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCCC2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL447937 | 172425 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 640 | 9 | 3 | 6 | 4.9 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCCC2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
46885159 | 8343 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 545 | 8 | 2 | 5 | 2.4 | Cc1ccc(C(=O)N2CCN(CCN3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL1093153 | 8343 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 545 | 8 | 2 | 5 | 2.4 | Cc1ccc(C(=O)N2CCN(CCN3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2010.02.072 | ||
46885160 | 8344 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 549 | 8 | 2 | 5 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3ccc(F)cc3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL1093154 | 8344 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 549 | 8 | 2 | 5 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3ccc(F)cc3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
9974356 | 137566 | 4 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 337 | 4 | 1 | 3 | 4.6 | Clc1ccc(CN2CCC(Nc3cccc4cnccc34)C2)cc1 | 10.1016/j.bmc.2006.10.028 | ||
CHEMBL375556 | 137566 | 4 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 337 | 4 | 1 | 3 | 4.6 | Clc1ccc(CN2CCC(Nc3cccc4cnccc34)C2)cc1 | 10.1016/j.bmc.2006.10.028 | ||
57396726 | 68926 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 562 | 8 | 3 | 5 | 4.0 | CS(=O)(=O)c1ccc(/C=C/C(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)cc1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922817 | 68926 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 562 | 8 | 3 | 5 | 4.0 | CS(=O)(=O)c1ccc(/C=C/C(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)cc1 | 10.1016/j.bmcl.2011.09.113 | ||
44439163 | 90265 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 596 | 12 | 4 | 7 | 4.7 | COC(=O)[C@H](CCCNC(=N)N)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
CHEMBL238518 | 90265 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 596 | 12 | 4 | 7 | 4.7 | COC(=O)[C@H](CCCNC(=N)N)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
183790 | 3715 | 11 | None | -1 | 5 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.bmc.2018.05.027 | ||
783 | 3715 | 11 | None | -1 | 5 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.bmc.2018.05.027 | ||
CHEMBL1178786 | 3715 | 11 | None | -1 | 5 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.bmc.2018.05.027 | ||
11283842 | 73709 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 522 | 13 | 5 | 5 | 4.5 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(NCC)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018402 | 73709 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 522 | 13 | 5 | 5 | 4.5 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(NCC)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
11353855 | 74520 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 595 | 6 | 2 | 8 | 4.2 | O=C(C1CCN(c2cc(C(F)(F)F)ccn2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | ||
CHEMBL2029568 | 74520 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 595 | 6 | 2 | 8 | 4.2 | O=C(C1CCN(c2cc(C(F)(F)F)ccn2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | ||
56643545 | 68931 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922823 | 68931 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
52943756 | 19258 | 0 | None | 23 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 489 | 6 | 3 | 4 | 3.3 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1O | 10.1016/j.bmcl.2010.10.020 | ||
CHEMBL1290412 | 19258 | 0 | None | 23 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 489 | 6 | 3 | 4 | 3.3 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1O | 10.1016/j.bmcl.2010.10.020 | ||
44453368 | 97739 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 449 | 6 | 4 | 5 | 2.3 | Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1N | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL271725 | 97739 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 449 | 6 | 4 | 5 | 2.3 | Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1N | 10.1016/j.bmcl.2008.02.015 | ||
56683116 | 65776 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 534 | 7 | 2 | 7 | 5.1 | CC(C)c1ncc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)s1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834799 | 65776 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 534 | 7 | 2 | 7 | 5.1 | CC(C)c1ncc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)s1 | 10.1016/j.bmcl.2011.08.074 | ||
46884898 | 7685 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 564 | 8 | 2 | 4 | 4.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccccc3Cl)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL1088874 | 7685 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 564 | 8 | 2 | 4 | 4.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccccc3Cl)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
44453409 | 95410 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 419 | 6 | 2 | 3 | 3.1 | Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL257065 | 95410 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 419 | 6 | 2 | 3 | 3.1 | Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
22143146 | 183882 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 490 | 8 | 3 | 4 | 3.5 | Cc1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
CHEMBL481202 | 183882 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 490 | 8 | 3 | 4 | 3.5 | Cc1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
10218843 | 172762 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 633 | 11 | 3 | 6 | 5.1 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](NCc3ccccc3)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL451340 | 172762 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 633 | 11 | 3 | 6 | 5.1 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](NCc3ccccc3)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
44425641 | 86037 | 0 | None | 5 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 596 | 6 | 1 | 3 | 7.5 | CSC[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL230832 | 86037 | 0 | None | 5 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 596 | 6 | 1 | 3 | 7.5 | CSC[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
10007642 | 19077 | 0 | None | -2 | 2 | Mouse | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 547 | 8 | 3 | 5 | 3.8 | CCO[C@H]1CN([C@H]2CC[C@@](O)(c3ccc(C)cc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
CHEMBL1289203 | 19077 | 0 | None | -2 | 2 | Mouse | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 547 | 8 | 3 | 5 | 3.8 | CCO[C@H]1CN([C@H]2CC[C@@](O)(c3ccc(C)cc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
46885028 | 8390 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 545 | 8 | 2 | 5 | 2.4 | Cc1ccccc1C(=O)N1CCN(CCN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1 | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL1093470 | 8390 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 545 | 8 | 2 | 5 | 2.4 | Cc1ccccc1C(=O)N1CCN(CCN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1 | 10.1016/j.bmcl.2010.02.072 | ||
24801523 | 97827 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 493 | 7 | 3 | 4 | 4.0 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1021/jm701488f | ||
CHEMBL272168 | 97827 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 493 | 7 | 3 | 4 | 4.0 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1021/jm701488f | ||
57656833 | 75200 | 0 | None | -257 | 4 | Mouse | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 427 | 3 | 2 | 4 | 2.4 | CC(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036782 | 75200 | 0 | None | -257 | 4 | Mouse | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 427 | 3 | 2 | 4 | 2.4 | CC(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
122181148 | 121810 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 478 | 6 | 1 | 3 | 5.2 | CC1Cc2ccccc2C2(CCN(CCCC(=O)NCc3cc(F)cc(C(F)(F)F)c3)CC2)O1 | 10.1016/j.bmc.2015.02.019 | ||
CHEMBL3589843 | 121810 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 478 | 6 | 1 | 3 | 5.2 | CC1Cc2ccccc2C2(CCN(CCCC(=O)NCc3cc(F)cc(C(F)(F)F)c3)CC2)O1 | 10.1016/j.bmc.2015.02.019 | ||
9956238 | 60168 | 1 | None | -95 | 4 | Mouse | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 467 | 8 | 2 | 8 | 3.0 | Cc1nn(C)c2nc(N(C)CCN(C)C)c(C(=O)NC(=O)Nc3cccc(OC(C)C)c3)cc12 | 10.1021/jm1012903 | ||
CHEMBL1688889 | 60168 | 1 | None | -95 | 4 | Mouse | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 467 | 8 | 2 | 8 | 3.0 | Cc1nn(C)c2nc(N(C)CCN(C)C)c(C(=O)NC(=O)Nc3cccc(OC(C)C)c3)cc12 | 10.1021/jm1012903 | ||
CHEMBL1739922 | 60168 | 1 | None | -95 | 4 | Mouse | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 467 | 8 | 2 | 8 | 3.0 | Cc1nn(C)c2nc(N(C)CCN(C)C)c(C(=O)NC(=O)Nc3cccc(OC(C)C)c3)cc12 | 10.1021/jm1012903 | ||
508742 | 95547 | 1 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 423 | 6 | 2 | 3 | 3.0 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(F)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL257702 | 95547 | 1 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 423 | 6 | 2 | 3 | 3.0 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(F)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
145963552 | 161324 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 489 | 6 | 1 | 5 | 4.1 | CC(=O)N1CCN(CCCN2CCCc3c(ccnc3Nc3ccc(Cl)c(Cl)c3)C2=O)CC1 | 10.1016/j.bmc.2018.05.027 | ||
CHEMBL4125866 | 161324 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 489 | 6 | 1 | 5 | 4.1 | CC(=O)N1CCN(CCCN2CCCc3c(ccnc3Nc3ccc(Cl)c(Cl)c3)C2=O)CC1 | 10.1016/j.bmc.2018.05.027 | ||
122181146 | 121808 | 0 | None | 14 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 544 | 7 | 1 | 4 | 5.7 | COc1ccc2c(c1)CCOC21CCN(CCCC(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 | 10.1016/j.bmc.2015.02.019 | ||
CHEMBL3589841 | 121808 | 0 | None | 14 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 544 | 7 | 1 | 4 | 5.7 | COc1ccc2c(c1)CCOC21CCN(CCCC(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 | 10.1016/j.bmc.2015.02.019 | ||
44447435 | 94667 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 514 | 9 | 1 | 2 | 7.0 | CCCC(CCN1CCC(c2ccccc2)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL252815 | 94667 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 514 | 9 | 1 | 2 | 7.0 | CCCC(CCN1CCC(c2ccccc2)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2008.01.023 | ||
44447435 | 94667 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 514 | 9 | 1 | 2 | 7.0 | CCCC(CCN1CCC(c2ccccc2)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL252815 | 94667 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 514 | 9 | 1 | 2 | 7.0 | CCCC(CCN1CCC(c2ccccc2)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2008.01.023 | ||
145962429 | 161545 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 446 | 6 | 1 | 4 | 5.4 | O=C1c2ccnc(Nc3ccc(Cl)c(Cl)c3)c2CCCN1CCCN1CCCCC1 | 10.1016/j.bmc.2018.05.027 | ||
CHEMBL4128975 | 161545 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 446 | 6 | 1 | 4 | 5.4 | O=C1c2ccnc(Nc3ccc(Cl)c(Cl)c3)c2CCCN1CCCN1CCCCC1 | 10.1016/j.bmc.2018.05.027 | ||
44453538 | 97902 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 419 | 6 | 2 | 3 | 3.1 | Cc1ccccc1CN1CC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL272543 | 97902 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 419 | 6 | 2 | 3 | 3.1 | Cc1ccccc1CN1CC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
46240482 | 83548 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 482 | 6 | 3 | 6 | 2.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3nccs3)CC2)C1 | 10.1021/ml300260s | ||
CHEMBL2204259 | 83548 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 482 | 6 | 3 | 6 | 2.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3nccs3)CC2)C1 | 10.1021/ml300260s | ||
22143294 | 193402 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 551 | 11 | 4 | 6 | 3.9 | CCCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C1 | 10.1016/j.bmcl.2008.07.123 | ||
CHEMBL526091 | 193402 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 551 | 11 | 4 | 6 | 3.9 | CCCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C1 | 10.1016/j.bmcl.2008.07.123 | ||
44580590 | 193547 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 565 | 10 | 4 | 6 | 3.5 | CCCCN1CCC(NC(=O)c2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C1 | 10.1016/j.bmcl.2008.07.123 | ||
CHEMBL526859 | 193547 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 565 | 10 | 4 | 6 | 3.5 | CCCCN1CCC(NC(=O)c2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C1 | 10.1016/j.bmcl.2008.07.123 | ||
70683350 | 73697 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 607 | 12 | 5 | 6 | 3.4 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)N1CCOCC1 | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018390 | 73697 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 607 | 12 | 5 | 6 | 3.4 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)N1CCOCC1 | 10.1016/j.bmcl.2012.03.007 | ||
44425641 | 86037 | 0 | None | 5 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 596 | 6 | 1 | 3 | 7.5 | CSC[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL230832 | 86037 | 0 | None | 5 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 596 | 6 | 1 | 3 | 7.5 | CSC[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
44425288 | 85986 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 570 | 8 | 2 | 5 | 6.4 | Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL230507 | 85986 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 570 | 8 | 2 | 5 | 6.4 | Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
44425304 | 143342 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 670 | 9 | 2 | 6 | 8.2 | CC(C)(C)OC(=O)Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL389773 | 143342 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 670 | 9 | 2 | 6 | 8.2 | CC(C)(C)OC(=O)Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
69035677 | 77620 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 590 | 8 | 1 | 5 | 5.6 | CCN(C(C)C)[C@@H]1CC[C@H](N2CCC(c3nc4cccc(C(F)(F)F)c4[nH]3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2012.08.002 | ||
CHEMBL2088389 | 77620 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 590 | 8 | 1 | 5 | 5.6 | CCN(C(C)C)[C@@H]1CC[C@H](N2CCC(c3nc4cccc(C(F)(F)F)c4[nH]3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2012.08.002 | ||
44425288 | 85986 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 570 | 8 | 2 | 5 | 6.4 | Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL230507 | 85986 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 570 | 8 | 2 | 5 | 6.4 | Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
44425304 | 143342 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 670 | 9 | 2 | 6 | 8.2 | CC(C)(C)OC(=O)Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL389773 | 143342 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 670 | 9 | 2 | 6 | 8.2 | CC(C)(C)OC(=O)Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
44571218 | 183854 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 523 | 7 | 5 | 6 | 2.5 | CSc1ccc(C(=O)NC2CC(N)CCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
CHEMBL481009 | 183854 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 523 | 7 | 5 | 6 | 2.5 | CSc1ccc(C(=O)NC2CC(N)CCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
57344310 | 68907 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 539 | 7 | 3 | 4 | 4.4 | NC(=O)C(NC1CCC(c2c[nH]c3ncccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922794 | 68907 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 539 | 7 | 3 | 4 | 4.4 | NC(=O)C(NC1CCC(c2c[nH]c3ncccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
57343820 | 68925 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 518 | 7 | 3 | 3 | 5.2 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922816 | 68925 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 518 | 7 | 3 | 3 | 5.2 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
24801525 | 97581 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 526 | 7 | 4 | 5 | 1.9 | NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1021/jm701488f | ||
CHEMBL270906 | 97581 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 526 | 7 | 4 | 5 | 1.9 | NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1021/jm701488f | ||
49763686 | 65394 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 503 | 7 | 3 | 4 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccc(C(=O)O)cc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
CHEMBL1829615 | 65394 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 503 | 7 | 3 | 4 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccc(C(=O)O)cc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
57396724 | 68918 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 485 | 7 | 2 | 3 | 4.1 | NC(=O)C(NC1CCC(c2ccccc2)C1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922805 | 68918 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 485 | 7 | 2 | 3 | 4.1 | NC(=O)C(NC1CCC(c2ccccc2)C1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
57396725 | 68920 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 498 | 7 | 3 | 3 | 4.7 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)C2CC2c2ccccc2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922808 | 68920 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 498 | 7 | 3 | 3 | 4.7 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)C2CC2c2ccccc2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
44563039 | 192021 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 482 | 5 | 1 | 3 | 5.1 | O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC(CN2CCC(c3c[nH]c4ncccc34)CC2)CC1 | 10.1016/j.bmcl.2008.10.061 | ||
CHEMBL520228 | 192021 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 482 | 5 | 1 | 3 | 5.1 | O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC(CN2CCC(c3c[nH]c4ncccc34)CC2)CC1 | 10.1016/j.bmcl.2008.10.061 | ||
11179439 | 73707 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 494 | 11 | 5 | 5 | 3.7 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(N)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018400 | 73707 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 494 | 11 | 5 | 5 | 3.7 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(N)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
46947816 | 65403 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 476 | 6 | 3 | 5 | 3.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccc(O)cn3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
CHEMBL1829624 | 65403 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 476 | 6 | 3 | 5 | 3.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccc(O)cn3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
44563113 | 174559 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 515 | 5 | 3 | 4 | 5.4 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ncccc34)CC2)CC1 | 10.1016/j.bmcl.2008.10.061 | ||
CHEMBL455682 | 174559 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 515 | 5 | 3 | 4 | 5.4 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ncccc34)CC2)CC1 | 10.1016/j.bmcl.2008.10.061 | ||
508877 | 95032 | 1 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 466 | 7 | 4 | 6 | 2.1 | COc1cc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)ccc1O | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL255209 | 95032 | 1 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 466 | 7 | 4 | 6 | 2.1 | COc1cc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)ccc1O | 10.1016/j.bmcl.2008.02.015 | ||
54756045 | 65758 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 510 | 7 | 3 | 8 | 2.3 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(C(N)=O)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834781 | 65758 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 510 | 7 | 3 | 8 | 2.3 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(C(N)=O)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
56678507 | 65770 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 492 | 6 | 2 | 7 | 4.0 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4cncs4)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834793 | 65770 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 492 | 6 | 2 | 7 | 4.0 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4cncs4)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
44447429 | 94614 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 550 | 7 | 1 | 2 | 7.1 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CC2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL252412 | 94614 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 550 | 7 | 1 | 2 | 7.1 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CC2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
50925394 | 19296 | 0 | None | -2 | 2 | Mouse | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 517 | 8 | 2 | 4 | 4.4 | CCO[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
CHEMBL1290636 | 19296 | 0 | None | -2 | 2 | Mouse | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 517 | 8 | 2 | 4 | 4.4 | CCO[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
44447429 | 94614 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 550 | 7 | 1 | 2 | 7.1 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CC2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL252412 | 94614 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 550 | 7 | 1 | 2 | 7.1 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CC2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
44425286 | 153223 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 670 | 9 | 2 | 6 | 8.2 | CC(C)(C)OC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL397750 | 153223 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 670 | 9 | 2 | 6 | 8.2 | CC(C)(C)OC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
44425286 | 153223 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 670 | 9 | 2 | 6 | 8.2 | CC(C)(C)OC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL397750 | 153223 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 670 | 9 | 2 | 6 | 8.2 | CC(C)(C)OC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
57344299 | 68927 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 552 | 7 | 3 | 3 | 5.6 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922818 | 68927 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 552 | 7 | 3 | 3 | 5.6 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
56669631 | 65779 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 489 | 6 | 2 | 7 | 3.3 | Cn1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)n1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834851 | 65779 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 489 | 6 | 2 | 7 | 3.3 | Cn1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)n1 | 10.1016/j.bmcl.2011.08.074 | ||
132572938 | 156765 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 551 | 8 | 1 | 4 | 6.4 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CN(CC(C)C)C3=O)cc1 | 10.1016/j.ejmech.2017.04.046 | ||
CHEMBL4070869 | 156765 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 551 | 8 | 1 | 4 | 6.4 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CN(CC(C)C)C3=O)cc1 | 10.1016/j.ejmech.2017.04.046 | ||
44439158 | 146802 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 542 | 10 | 1 | 4 | 7.5 | O=C(CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1)NCCCc1ccncc1 | 10.1016/j.bmcl.2006.10.060 | ||
CHEMBL392493 | 146802 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 542 | 10 | 1 | 4 | 7.5 | O=C(CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1)NCCCc1ccncc1 | 10.1016/j.bmcl.2006.10.060 | ||
10272003 | 58849 | 1 | None | -2 | 3 | Mouse | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 395 | 2 | 2 | 5 | 3.4 | Cc1nn(C)c2ncc(C(=O)NC(=O)Nc3ccc(F)c(C(F)(F)F)c3)cc12 | 10.1021/jm1012903 | ||
CHEMBL1688888 | 58849 | 1 | None | -2 | 3 | Mouse | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 395 | 2 | 2 | 5 | 3.4 | Cc1nn(C)c2ncc(C(=O)NC(=O)Nc3ccc(F)c(C(F)(F)F)c3)cc12 | 10.1021/jm1012903 | ||
57403700 | 68916 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 457 | 6 | 2 | 3 | 3.0 | NC(=O)C(NC1Cc2ccccc2C1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922803 | 68916 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 457 | 6 | 2 | 3 | 3.0 | NC(=O)C(NC1Cc2ccccc2C1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
10427217 | 84968 | 4 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 337 | 4 | 1 | 3 | 4.6 | Clc1cccc(CN2CCC(Nc3cccc4cnccc34)C2)c1 | 10.1016/j.bmc.2006.10.028 | ||
CHEMBL223815 | 84968 | 4 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 337 | 4 | 1 | 3 | 4.6 | Clc1cccc(CN2CCC(Nc3cccc4cnccc34)C2)c1 | 10.1016/j.bmc.2006.10.028 | ||
10041590 | 142086 | 4 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 318 | 4 | 2 | 4 | 3.5 | Nc1ccccc1CN1CCC(Nc2cccc3cnccc23)C1 | 10.1016/j.bmc.2006.10.028 | ||
CHEMBL388285 | 142086 | 4 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 318 | 4 | 2 | 4 | 3.5 | Nc1ccccc1CN1CCC(Nc2cccc3cnccc23)C1 | 10.1016/j.bmc.2006.10.028 | ||
54584164 | 62538 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 504 | 6 | 1 | 7 | 3.4 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3nc(C(F)(F)F)cs3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1782574 | 62538 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 504 | 6 | 1 | 7 | 3.4 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3nc(C(F)(F)F)cs3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
44595711 | 137296 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 332 | 2 | 1 | 1 | 5.1 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2ccc(Cl)c(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
CHEMBL3752627 | 137296 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 332 | 2 | 1 | 1 | 5.1 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2ccc(Cl)c(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
49763568 | 65385 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 503 | 6 | 2 | 5 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@H](c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
CHEMBL1829605 | 65385 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 503 | 6 | 2 | 5 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@H](c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
11752457 | 74510 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 504 | 6 | 3 | 5 | 3.2 | Cc1ccc([C@]2(O)CC[C@H](N[C@H]3CCN(C(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)nc1 | 10.1021/ml200199c | ||
CHEMBL2029417 | 74510 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 504 | 6 | 3 | 5 | 3.2 | Cc1ccc([C@]2(O)CC[C@H](N[C@H]3CCN(C(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)nc1 | 10.1021/ml200199c | ||
54755081 | 65747 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 467 | 7 | 3 | 6 | 2.9 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3n[nH]c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834719 | 65747 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 467 | 7 | 3 | 6 | 2.9 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3n[nH]c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
56671794 | 65767 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 516 | 7 | 2 | 7 | 3.9 | COc1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834790 | 65767 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 516 | 7 | 2 | 7 | 3.9 | COc1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2011.08.074 | ||
44425634 | 141993 | 0 | None | 2 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 578 | 6 | 1 | 2 | 8.0 | CCC[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL387587 | 141993 | 0 | None | 2 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 578 | 6 | 1 | 2 | 8.0 | CCC[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
44442599 | 93620 | 0 | None | 31 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 585 | 9 | 5 | 5 | 3.3 | Cc1cc(Br)ccc1CNC[C@H](NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1N)C(=O)NC(C)(C)C | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL246804 | 93620 | 0 | None | 31 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 585 | 9 | 5 | 5 | 3.3 | Cc1cc(Br)ccc1CNC[C@H](NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1N)C(=O)NC(C)(C)C | 10.1016/j.bmcl.2007.07.028 | ||
10291634 | 58847 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 352 | 2 | 2 | 4 | 3.7 | O=C(NC(=O)c1ccc2c(c1)OCO2)Nc1ccc(Cl)c(Cl)c1 | 10.1021/jm1012903 | ||
CHEMBL1688879 | 58847 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 352 | 2 | 2 | 4 | 3.7 | O=C(NC(=O)c1ccc2c(c1)OCO2)Nc1ccc(Cl)c(Cl)c1 | 10.1021/jm1012903 | ||
10154979 | 58848 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 352 | 2 | 2 | 4 | 3.4 | O=C(NC(=O)c1ccc2c(c1)OCO2)Nc1cccc(C(F)(F)F)c1 | 10.1021/jm1012903 | ||
CHEMBL1688880 | 58848 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 352 | 2 | 2 | 4 | 3.4 | O=C(NC(=O)c1ccc2c(c1)OCO2)Nc1cccc(C(F)(F)F)c1 | 10.1021/jm1012903 | ||
10064487 | 84988 | 4 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 318 | 4 | 2 | 4 | 3.5 | Nc1ccc(CN2CCC(Nc3cccc4cnccc34)C2)cc1 | 10.1016/j.bmc.2006.10.028 | ||
CHEMBL223907 | 84988 | 4 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 318 | 4 | 2 | 4 | 3.5 | Nc1ccc(CN2CCC(Nc3cccc4cnccc34)C2)cc1 | 10.1016/j.bmc.2006.10.028 | ||
11585168 | 90659 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 594 | 15 | 1 | 5 | 8.2 | CCCC(CCCN(CC)CC)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
CHEMBL239143 | 90659 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 594 | 15 | 1 | 5 | 8.2 | CCCC(CCCN(CC)CC)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
57402219 | 70979 | 0 | None | -52 | 2 | Mouse | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 503 | 6 | 3 | 4 | 3.8 | Cc1ccc([C@]2(O)CC[C@H](N3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1021/ml200030q | ||
CHEMBL1951766 | 70979 | 0 | None | -52 | 2 | Mouse | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 503 | 6 | 3 | 4 | 3.8 | Cc1ccc([C@]2(O)CC[C@H](N3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1021/ml200030q | ||
145961260 | 161407 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 476 | 7 | 1 | 5 | 5.0 | COC1CCN(CCCN2CCCc3c(ccnc3Nc3ccc(Cl)c(Cl)c3)C2=O)CC1 | 10.1016/j.bmc.2018.05.027 | ||
CHEMBL4127096 | 161407 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 476 | 7 | 1 | 5 | 5.0 | COC1CCN(CCCN2CCCc3c(ccnc3Nc3ccc(Cl)c(Cl)c3)C2=O)CC1 | 10.1016/j.bmc.2018.05.027 | ||
52941377 | 19297 | 0 | None | -7 | 2 | Mouse | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 531 | 9 | 2 | 4 | 4.8 | CCCO[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
CHEMBL1290637 | 19297 | 0 | None | -7 | 2 | Mouse | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 531 | 9 | 2 | 4 | 4.8 | CCCO[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
57394970 | 68914 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 465 | 7 | 2 | 3 | 4.0 | CC(C)C1CCC(NC(C(N)=O)C2CCN(C(=O)/C=C/c3cc(F)c(F)c(F)c3)CC2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922800 | 68914 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 465 | 7 | 2 | 3 | 4.0 | CC(C)C1CCC(NC(C(N)=O)C2CCN(C(=O)/C=C/c3cc(F)c(F)c(F)c3)CC2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
44583282 | 172671 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 656 | 9 | 3 | 7 | 4.2 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCOCC2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL450231 | 172671 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 656 | 9 | 3 | 7 | 4.2 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCOCC2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
53389660 | 171459 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 300 | 3 | 1 | 4 | 2.5 | O=c1c(Cc2cccc(Cl)c2)c(C2CC2)[nH]c2ncnn12 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4463626 | 171459 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 300 | 3 | 1 | 4 | 2.5 | O=c1c(Cc2cccc(Cl)c2)c(C2CC2)[nH]c2ncnn12 | 10.1021/acs.jmedchem.9b00742 | ||
53389845 | 172937 | 0 | None | 45 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 315 | 3 | 2 | 5 | 2.1 | Nc1nc2[nH]c(C3CC3)c(Cc3cccc(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4517518 | 172937 | 0 | None | 45 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 315 | 3 | 2 | 5 | 2.1 | Nc1nc2[nH]c(C3CC3)c(Cc3cccc(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
57344303 | 68902 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 538 | 7 | 3 | 3 | 5.0 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922789 | 68902 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 538 | 7 | 3 | 3 | 5.0 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
44353447 | 3746 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1016/j.bmcl.2008.02.015 | ||
785 | 3746 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL337246 | 3746 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1016/j.bmcl.2008.02.015 | ||
44425634 | 141993 | 0 | None | 2 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 578 | 6 | 1 | 2 | 8.0 | CCC[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL387587 | 141993 | 0 | None | 2 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 578 | 6 | 1 | 2 | 8.0 | CCC[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
11192346 | 2011 | 57 | None | -4 | 3 | Mouse | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
9032 | 2011 | 57 | None | -4 | 3 | Mouse | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
CHEMBL2029422 | 2011 | 57 | None | -4 | 3 | Mouse | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
44583281 | 188211 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 626 | 9 | 3 | 6 | 4.5 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCC2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL499467 | 188211 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 626 | 9 | 3 | 6 | 4.5 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCC2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
49763575 | 65415 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 474 | 6 | 3 | 4 | 3.0 | N[C@]1(c2ccccc2)CC[C@H](N2CC(NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1 | 10.1016/j.bmcl.2011.06.080 | ||
CHEMBL1829637 | 65415 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 474 | 6 | 3 | 4 | 3.0 | N[C@]1(c2ccccc2)CC[C@H](N2CC(NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1 | 10.1016/j.bmcl.2011.06.080 | ||
24801522 | 161113 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 573 | 6 | 3 | 3 | 3.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@H]1NC(=O)c1ccc(I)cc1 | 10.1021/jm701488f | ||
CHEMBL411726 | 161113 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 573 | 6 | 3 | 3 | 3.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@H]1NC(=O)c1ccc(I)cc1 | 10.1021/jm701488f | ||
46884855 | 8271 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 548 | 8 | 2 | 4 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3cccc(F)c3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL1092656 | 8271 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 548 | 8 | 2 | 4 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3cccc(F)c3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
122181235 | 121824 | 0 | None | 5 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 572 | 7 | 1 | 3 | 6.7 | CC1Cc2ccccc2C2(CCN(CCC(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)c3ccc(F)cc3)CC2)O1 | 10.1016/j.bmc.2015.02.019 | ||
CHEMBL3589949 | 121824 | 0 | None | 5 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 572 | 7 | 1 | 3 | 6.7 | CC1Cc2ccccc2C2(CCN(CCC(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)c3ccc(F)cc3)CC2)O1 | 10.1016/j.bmc.2015.02.019 | ||
9923015 | 58846 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 318 | 2 | 2 | 4 | 3.0 | O=C(NC(=O)c1ccc2c(c1)OCO2)Nc1cccc(Cl)c1 | 10.1021/jm1012903 | ||
CHEMBL1688878 | 58846 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 318 | 2 | 2 | 4 | 3.0 | O=C(NC(=O)c1ccc2c(c1)OCO2)Nc1cccc(Cl)c1 | 10.1021/jm1012903 | ||
11582651 | 75174 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 424 | 5 | 1 | 3 | 4.3 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCCN(CC3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036754 | 75174 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 424 | 5 | 1 | 3 | 4.3 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCCN(CC3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
145961759 | 161506 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 566 | 6 | 1 | 5 | 7.1 | O=C1c2ccnc(Nc3ccc(Cl)c(Cl)c3)c2CCCN1CCCN1CCC2(CC1)SCc1ccccc12 | 10.1016/j.bmc.2018.05.027 | ||
CHEMBL4128487 | 161506 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 566 | 6 | 1 | 5 | 7.1 | O=C1c2ccnc(Nc3ccc(Cl)c(Cl)c3)c2CCCN1CCCN1CCC2(CC1)SCc1ccccc12 | 10.1016/j.bmc.2018.05.027 | ||
57656921 | 75184 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 420 | 4 | 1 | 3 | 3.5 | O=C(Nc1ccc(Br)cc1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036764 | 75184 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 420 | 4 | 1 | 3 | 3.5 | O=C(Nc1ccc(Br)cc1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
122181152 | 121680 | 0 | None | 25 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 638 | 8 | 1 | 4 | 7.2 | COc1ccc2c(c1)CCOC21CCN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CC1 | 10.1016/j.bmc.2015.02.019 | ||
CHEMBL3588870 | 121680 | 0 | None | 25 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 638 | 8 | 1 | 4 | 7.2 | COc1ccc2c(c1)CCOC21CCN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CC1 | 10.1016/j.bmc.2015.02.019 | ||
46241610 | 83541 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 548 | 7 | 3 | 6 | 3.6 | CC(C)(C)Oc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml300260s | ||
CHEMBL2204252 | 83541 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 548 | 7 | 3 | 6 | 3.6 | CC(C)(C)Oc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml300260s | ||
122181238 | 121827 | 0 | None | 194 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 554 | 7 | 1 | 3 | 6.3 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(CC1)OCCc1ccccc12)C1CC1 | 10.1016/j.bmc.2015.02.019 | ||
CHEMBL3589952 | 121827 | 0 | None | 194 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 554 | 7 | 1 | 3 | 6.3 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(CC1)OCCc1ccccc12)C1CC1 | 10.1016/j.bmc.2015.02.019 | ||
10304021 | 73691 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 594 | 12 | 5 | 6 | 4.8 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)OC(C)(C)C | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018384 | 73691 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 594 | 12 | 5 | 6 | 4.8 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)OC(C)(C)C | 10.1016/j.bmcl.2012.03.007 | ||
11504634 | 186012 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 526 | 6 | 2 | 4 | 4.6 | O=C(O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ncccc23)CC1 | 10.1016/j.bmcl.2008.10.061 | ||
CHEMBL487070 | 186012 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 526 | 6 | 2 | 4 | 4.6 | O=C(O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ncccc23)CC1 | 10.1016/j.bmcl.2008.10.061 | ||
56678508 | 65771 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 492 | 6 | 2 | 7 | 4.0 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4nccs4)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834794 | 65771 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 492 | 6 | 2 | 7 | 4.0 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4nccs4)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
44570718 | 183809 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 533 | 9 | 4 | 5 | 3.2 | CC(=O)Nc1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
CHEMBL480621 | 183809 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 533 | 9 | 4 | 5 | 3.2 | CC(=O)Nc1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
44580590 | 193547 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 565 | 10 | 4 | 6 | 3.5 | CCCCN1CCC(NC(=O)c2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C1 | 10.1016/j.bmcl.2008.07.123 | ||
CHEMBL526859 | 193547 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 565 | 10 | 4 | 6 | 3.5 | CCCCN1CCC(NC(=O)c2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C1 | 10.1016/j.bmcl.2008.07.123 | ||
46944853 | 65400 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 490 | 7 | 2 | 5 | 3.4 | COc1cc([C@H]2CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)ccn1 | 10.1016/j.bmcl.2011.06.080 | ||
CHEMBL1829621 | 65400 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 490 | 7 | 2 | 5 | 3.4 | COc1cc([C@H]2CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)ccn1 | 10.1016/j.bmcl.2011.06.080 | ||
49763574 | 65414 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 477 | 6 | 2 | 3 | 4.0 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@](F)(c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
CHEMBL1829636 | 65414 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 477 | 6 | 2 | 3 | 4.0 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@](F)(c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
54755083 | 65714 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 488 | 6 | 3 | 6 | 3.1 | O=C(CNc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](n3ccccc3=O)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834636 | 65714 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 488 | 6 | 3 | 6 | 3.1 | O=C(CNc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](n3ccccc3=O)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
46885029 | 8217 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 545 | 8 | 2 | 5 | 2.4 | Cc1cccc(C(=O)N2CCN(CCN3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)c1 | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL1092343 | 8217 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 545 | 8 | 2 | 5 | 2.4 | Cc1cccc(C(=O)N2CCN(CCN3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)c1 | 10.1016/j.bmcl.2010.02.072 | ||
10315045 | 143550 | 5 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 337 | 4 | 1 | 3 | 4.6 | Clc1ccccc1CN1CCC(Nc2cccc3cnccc23)C1 | 10.1016/j.bmc.2006.10.028 | ||
CHEMBL389926 | 143550 | 5 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 337 | 4 | 1 | 3 | 4.6 | Clc1ccccc1CN1CCC(Nc2cccc3cnccc23)C1 | 10.1016/j.bmc.2006.10.028 | ||
122181153 | 121814 | 0 | None | 20 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 558 | 7 | 1 | 3 | 6.3 | O=C(NCc1cc(F)cc(C(F)(F)F)c1)C(CCN1CCC2(CC1)OCCc1ccccc12)c1ccc(F)cc1 | 10.1016/j.bmc.2015.02.019 | ||
CHEMBL3589847 | 121814 | 0 | None | 20 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 558 | 7 | 1 | 3 | 6.3 | O=C(NCc1cc(F)cc(C(F)(F)F)c1)C(CCN1CCC2(CC1)OCCc1ccccc12)c1ccc(F)cc1 | 10.1016/j.bmc.2015.02.019 | ||
44416274 | 158530 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 510 | 6 | 1 | 2 | 6.4 | C[C@H]1CN(CCCC(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL409162 | 158530 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 510 | 6 | 1 | 2 | 6.4 | C[C@H]1CN(CCCC(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
10346048 | 78205 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 505 | 8 | 2 | 3 | 5.3 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccc(F)cc1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL210606 | 78205 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 505 | 8 | 2 | 3 | 5.3 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccc(F)cc1 | 10.1016/j.bmcl.2008.01.023 | ||
145962546 | 161386 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 537 | 8 | 1 | 6 | 3.8 | CN(C1CCN(CCCN2CCCc3c(ccnc3Nc3ccc(Cl)c(F)c3)C2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
CHEMBL4126779 | 161386 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 537 | 8 | 1 | 6 | 3.8 | CN(C1CCN(CCCN2CCCc3c(ccnc3Nc3ccc(Cl)c(F)c3)C2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
11553070 | 75171 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 398 | 4 | 1 | 3 | 3.9 | CCN1CCC[C@@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036751 | 75171 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 398 | 4 | 1 | 3 | 3.9 | CCN1CCC[C@@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
10346048 | 78205 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 505 | 8 | 2 | 3 | 5.3 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccc(F)cc1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL210606 | 78205 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 505 | 8 | 2 | 3 | 5.3 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccc(F)cc1 | 10.1016/j.bmcl.2008.01.023 | ||
11563451 | 151894 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 608 | 15 | 1 | 5 | 8.4 | CCN(CC)CCCC(CC(C)C)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
CHEMBL396621 | 151894 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 608 | 15 | 1 | 5 | 8.4 | CCN(CC)CCCC(CC(C)C)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
24801690 | 98013 | 25 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 593 | 9 | 5 | 5 | 4.5 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL273083 | 98013 | 25 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 593 | 9 | 5 | 5 | 4.5 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
70689914 | 74523 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 552 | 6 | 2 | 9 | 3.0 | N#Cc1ccnc(N2CCC(C(=O)N3CC[C@H](N[C@H]4CC[C@@](O)(c5ccc(-c6ncccn6)cn5)CC4)C3)CC2)c1 | 10.1021/ml200199c | ||
CHEMBL2029571 | 74523 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 552 | 6 | 2 | 9 | 3.0 | N#Cc1ccnc(N2CCC(C(=O)N3CC[C@H](N[C@H]4CC[C@@](O)(c5ccc(-c6ncccn6)cn5)CC4)C3)CC2)c1 | 10.1021/ml200199c | ||
24801690 | 98013 | 25 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 593 | 9 | 5 | 5 | 4.5 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)cc1 | 10.1021/jm701488f | ||
CHEMBL273083 | 98013 | 25 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 593 | 9 | 5 | 5 | 4.5 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)cc1 | 10.1021/jm701488f | ||
44453366 | 158280 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 451 | 6 | 5 | 6 | 1.7 | Nc1cc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)ccc1O | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL408908 | 158280 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 451 | 6 | 5 | 6 | 1.7 | Nc1cc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)ccc1O | 10.1016/j.bmcl.2008.02.015 | ||
46885027 | 8389 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 531 | 8 | 2 | 5 | 2.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL1093469 | 8389 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 531 | 8 | 2 | 5 | 2.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
53322810 | 58442 | 0 | None | 2 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3nccc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1683075 | 58442 | 0 | None | 2 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3nccc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
54585107 | 62531 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3ccnc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1782567 | 62531 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3ccnc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
54580188 | 62537 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 504 | 6 | 1 | 7 | 3.4 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3ncc(C(F)(F)F)s3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1782573 | 62537 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 504 | 6 | 1 | 7 | 3.4 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3ncc(C(F)(F)F)s3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
53325639 | 58440 | 0 | None | 1 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1683073 | 58440 | 0 | None | 1 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
122181147 | 121809 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 464 | 6 | 1 | 3 | 4.8 | O=C(CCCN1CCC2(CC1)OCCc1ccccc12)NCc1cc(F)cc(C(F)(F)F)c1 | 10.1016/j.bmc.2015.02.019 | ||
CHEMBL3589842 | 121809 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 464 | 6 | 1 | 3 | 4.8 | O=C(CCCN1CCC2(CC1)OCCc1ccccc12)NCc1cc(F)cc(C(F)(F)F)c1 | 10.1016/j.bmc.2015.02.019 | ||
11670910 | 88593 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 524 | 6 | 2 | 3 | 4.6 | NC(=O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL235657 | 88593 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 524 | 6 | 2 | 3 | 4.6 | NC(=O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
145961961 | 161472 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 553 | 8 | 1 | 6 | 4.0 | CN(C1CCN(CCCN2CCCc3c(ccnc3Nc3cccc(C(F)(F)F)c3)C2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
CHEMBL4128015 | 161472 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 553 | 8 | 1 | 6 | 4.0 | CN(C1CCN(CCCN2CCCc3c(ccnc3Nc3cccc(C(F)(F)F)c3)C2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
57656640 | 75182 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 390 | 4 | 1 | 3 | 3.7 | Cc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C4CC4)C3)CC2)cc1Cl | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036762 | 75182 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 390 | 4 | 1 | 3 | 3.7 | Cc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C4CC4)C3)CC2)cc1Cl | 10.1016/j.bmcl.2012.04.118 | ||
44439155 | 91945 | 0 | None | -3 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 594 | 12 | 4 | 6 | 5.2 | COC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
CHEMBL241497 | 91945 | 0 | None | -3 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 594 | 12 | 4 | 6 | 5.2 | COC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
46885269 | 7871 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 545 | 8 | 2 | 5 | 2.5 | CC(CN1CCN(C(=O)c2ccccc2)CC1)N1CC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL1090148 | 7871 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 545 | 8 | 2 | 5 | 2.5 | CC(CN1CCN(C(=O)c2ccccc2)CC1)N1CC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
56643545 | 68931 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922823 | 68931 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
57398494 | 68929 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 527 | 8 | 3 | 4 | 4.7 | CN(C)c1ccc(/C=C/C(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)cc1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922820 | 68929 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 527 | 8 | 3 | 4 | 4.7 | CN(C)c1ccc(/C=C/C(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)cc1 | 10.1016/j.bmcl.2011.09.113 | ||
22143104 | 188034 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 483 | 7 | 5 | 5 | 2.3 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)NC1CNCCC1NCc1ccc(Cl)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
CHEMBL497780 | 188034 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 483 | 7 | 5 | 5 | 2.3 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)NC1CNCCC1NCc1ccc(Cl)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
22143294 | 193402 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 551 | 11 | 4 | 6 | 3.9 | CCCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C1 | 10.1016/j.bmcl.2008.07.123 | ||
CHEMBL526091 | 193402 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 551 | 11 | 4 | 6 | 3.9 | CCCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C1 | 10.1016/j.bmcl.2008.07.123 | ||
44571257 | 191070 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 518 | 9 | 3 | 4 | 4.3 | CC(C)c1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
CHEMBL518772 | 191070 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 518 | 9 | 3 | 4 | 4.3 | CC(C)c1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
11192346 | 2011 | 57 | None | 1 | 3 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
9032 | 2011 | 57 | None | 1 | 3 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
CHEMBL2029422 | 2011 | 57 | None | 1 | 3 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
56661444 | 65745 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 614 | 6 | 3 | 8 | 5.1 | CC(C)(C)NC(=O)n1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4ccc5c(c4)OCO5)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834717 | 65745 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 614 | 6 | 3 | 8 | 5.1 | CC(C)(C)NC(=O)n1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4ccc5c(c4)OCO5)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
44425637 | 85958 | 0 | None | 3 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 604 | 6 | 1 | 2 | 8.4 | C[C@H]1CN([C@@H]2CC[C@](CC3CCC3)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL230405 | 85958 | 0 | None | 3 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 604 | 6 | 1 | 2 | 8.4 | C[C@H]1CN([C@@H]2CC[C@](CC3CCC3)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
44425637 | 85958 | 0 | None | 3 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 604 | 6 | 1 | 2 | 8.4 | C[C@H]1CN([C@@H]2CC[C@](CC3CCC3)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL230405 | 85958 | 0 | None | 3 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 604 | 6 | 1 | 2 | 8.4 | C[C@H]1CN([C@@H]2CC[C@](CC3CCC3)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
44425629 | 85997 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 536 | 4 | 1 | 2 | 6.8 | C[C@H]1CN([C@@H]2CC[C@H](C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL230616 | 85997 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 536 | 4 | 1 | 2 | 6.8 | C[C@H]1CN([C@@H]2CC[C@H](C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
44442593 | 147175 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 549 | 11 | 5 | 5 | 3.7 | CCNc1cc(C(=O)NCC(=O)N[C@@H](CNCc2ccc(C)cc2C)C(=O)NC(C)(C)C)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL392814 | 147175 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 549 | 11 | 5 | 5 | 3.7 | CCNc1cc(C(=O)NCC(=O)N[C@@H](CNCc2ccc(C)cc2C)C(=O)NC(C)(C)C)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | ||
57344218 | 68919 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 484 | 7 | 3 | 3 | 4.6 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922806 | 68919 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 484 | 7 | 3 | 3 | 4.6 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
44563038 | 186015 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 554 | 7 | 1 | 5 | 5.0 | CCOC(=O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ncccc23)CC1 | 10.1016/j.bmcl.2008.10.061 | ||
CHEMBL487074 | 186015 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 554 | 7 | 1 | 5 | 5.0 | CCOC(=O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ncccc23)CC1 | 10.1016/j.bmcl.2008.10.061 | ||
21098512 | 85060 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 351 | 5 | 2 | 5 | 3.5 | O=[N+]([O-])c1cccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1 | 10.1016/j.bmc.2006.09.052 | ||
CHEMBL224594 | 85060 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 351 | 5 | 2 | 5 | 3.5 | O=[N+]([O-])c1cccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1 | 10.1016/j.bmc.2006.09.052 | ||
21098530 | 143534 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 351 | 5 | 2 | 5 | 3.5 | O=[N+]([O-])c1ccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)cc1 | 10.1016/j.bmc.2006.09.052 | ||
CHEMBL389915 | 143534 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 351 | 5 | 2 | 5 | 3.5 | O=[N+]([O-])c1ccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)cc1 | 10.1016/j.bmc.2006.09.052 | ||
44447426 | 94580 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 536 | 8 | 1 | 2 | 7.0 | C=CCC(CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL252208 | 94580 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 536 | 8 | 1 | 2 | 7.0 | C=CCC(CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2008.01.023 | ||
145961667 | 161330 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 461 | 6 | 1 | 5 | 4.2 | CN1CCN(CCCN2CCCc3c(ccnc3Nc3ccc(Cl)c(Cl)c3)C2=O)CC1 | 10.1016/j.bmc.2018.05.027 | ||
CHEMBL4126007 | 161330 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 461 | 6 | 1 | 5 | 4.2 | CN1CCN(CCCN2CCCc3c(ccnc3Nc3ccc(Cl)c(Cl)c3)C2=O)CC1 | 10.1016/j.bmc.2018.05.027 | ||
44447426 | 94580 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 536 | 8 | 1 | 2 | 7.0 | C=CCC(CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL252208 | 94580 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 536 | 8 | 1 | 2 | 7.0 | C=CCC(CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2008.01.023 | ||
145963369 | 161362 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 522 | 7 | 1 | 4 | 6.8 | O=C1c2ccnc(Nc3ccc(Cl)c(Cl)c3)c2CCCN1CCCN1CCC(c2ccccc2)CC1 | 10.1016/j.bmc.2018.05.027 | ||
CHEMBL4126360 | 161362 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 522 | 7 | 1 | 4 | 6.8 | O=C1c2ccnc(Nc3ccc(Cl)c(Cl)c3)c2CCCN1CCCN1CCC(c2ccccc2)CC1 | 10.1016/j.bmc.2018.05.027 | ||
11548199 | 89893 | 0 | None | 707 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 525 | 6 | 2 | 3 | 5.2 | O=C(O)[C@H](C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
CHEMBL237967 | 89893 | 0 | None | 707 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 525 | 6 | 2 | 3 | 5.2 | O=C(O)[C@H](C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
22143255 | 187834 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 523 | 7 | 4 | 6 | 2.4 | CSc1ccc(C(=O)NC2CCN(C)CC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
CHEMBL496343 | 187834 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 523 | 7 | 4 | 6 | 2.4 | CSc1ccc(C(=O)NC2CCN(C)CC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
22143155 | 188038 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 537 | 10 | 4 | 6 | 3.5 | CCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C1 | 10.1016/j.bmcl.2008.07.123 | ||
CHEMBL497788 | 188038 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 537 | 10 | 4 | 6 | 3.5 | CCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C1 | 10.1016/j.bmcl.2008.07.123 | ||
44593555 | 188760 | 0 | None | 2 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 642 | 10 | 4 | 6 | 4.9 | CSc1ccc(C(=O)NC2CC(NC(=O)OCc3ccccc3)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
CHEMBL505722 | 188760 | 0 | None | 2 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 642 | 10 | 4 | 6 | 4.9 | CSc1ccc(C(=O)NC2CC(NC(=O)OCc3ccccc3)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
44570714 | 189770 | 0 | None | 9 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 565 | 9 | 5 | 6 | 3.6 | CSc1ccc(C(=O)NC2CCC(NC(C)C)CC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
CHEMBL516224 | 189770 | 0 | None | 9 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 565 | 9 | 5 | 6 | 3.6 | CSc1ccc(C(=O)NC2CCC(NC(C)C)CC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
9850318 | 95216 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 542 | 6 | 1 | 4 | 6.2 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cncnc3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
CHEMBL256154 | 95216 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 542 | 6 | 1 | 4 | 6.2 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cncnc3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
10392978 | 167435 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 558 | 6 | 2 | 5 | 5.3 | CC(C)(O)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cncnc3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
CHEMBL429849 | 167435 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 558 | 6 | 2 | 5 | 5.3 | CC(C)(O)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cncnc3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
54754968 | 65712 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 502 | 7 | 3 | 6 | 3.9 | COc1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4n[nH]c5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834634 | 65712 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 502 | 7 | 3 | 6 | 3.9 | COc1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4n[nH]c5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2011.08.074 | ||
44425647 | 86072 | 0 | None | 5 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 542 | 6 | 1 | 2 | 7.4 | CC(C)C[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
CHEMBL231039 | 86072 | 0 | None | 5 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 542 | 6 | 1 | 2 | 7.4 | CC(C)C[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
44423283 | 85278 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 536 | 4 | 1 | 2 | 6.8 | C[C@H]1CN([C@@H]2CC[C@H](C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@@]12C=Cc1ccccc12 | 10.1021/jm070166b | ||
CHEMBL226065 | 85278 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 536 | 4 | 1 | 2 | 6.8 | C[C@H]1CN([C@@H]2CC[C@H](C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@@]12C=Cc1ccccc12 | 10.1021/jm070166b | ||
44583283 | 188262 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 714 | 11 | 3 | 8 | 6.0 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL500175 | 188262 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 714 | 11 | 3 | 8 | 6.0 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
127026243 | 138244 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 456 | 3 | 2 | 6 | 2.5 | CC(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3nc(C(C)(C)C)c(Cl)s3)CC2)C1 | 10.1039/C5MD00362H | ||
CHEMBL3770591 | 138244 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 456 | 3 | 2 | 6 | 2.5 | CC(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3nc(C(C)(C)C)c(Cl)s3)CC2)C1 | 10.1039/C5MD00362H | ||
53321616 | 58430 | 0 | None | 5 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 495 | 6 | 1 | 4 | 5.0 | CC[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
CHEMBL1683063 | 58430 | 0 | None | 5 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 495 | 6 | 1 | 4 | 5.0 | CC[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
11433008 | 77608 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 564 | 8 | 2 | 5 | 4.9 | Cc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)cc1 | 10.1016/j.bmcl.2012.08.002 | ||
CHEMBL2088378 | 77608 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 564 | 8 | 2 | 5 | 4.9 | Cc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)cc1 | 10.1016/j.bmcl.2012.08.002 | ||
10289827 | 187952 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 571 | 9 | 2 | 6 | 3.8 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL497202 | 187952 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 571 | 9 | 2 | 6 | 3.8 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
25110716 | 155182 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 515 | 4 | 0 | 3 | 7.0 | C[C@H]1CN([C@@H]2CC[C@@]3(CCO[C@H]3OCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.016 | ||
CHEMBL402532 | 155182 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 515 | 4 | 0 | 3 | 7.0 | C[C@H]1CN([C@@H]2CC[C@@]3(CCO[C@H]3OCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.016 | ||
53318853 | 58426 | 0 | None | 27 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 481 | 5 | 1 | 4 | 4.6 | CC(C)[C@]1(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC[C@@H](N[C@H]2CCOC[C@H]2C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
CHEMBL1683059 | 58426 | 0 | None | 27 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 481 | 5 | 1 | 4 | 4.6 | CC(C)[C@]1(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC[C@@H](N[C@H]2CCOC[C@H]2C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
11597 | 671 | 5 | None | 11 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 506 | 5 | 3 | 6 | 3.5 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)NC(C)(C)C | 10.1021/acsmedchemlett.1c00373 | ||
23725180 | 671 | 5 | None | 11 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 506 | 5 | 3 | 6 | 3.5 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)NC(C)(C)C | 10.1021/acsmedchemlett.1c00373 | ||
CHEMBL4781426 | 671 | 5 | None | 11 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 506 | 5 | 3 | 6 | 3.5 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)NC(C)(C)C | 10.1021/acsmedchemlett.1c00373 | ||
11387511 | 74512 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 567 | 7 | 3 | 6 | 3.9 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ccncc4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
CHEMBL2029419 | 74512 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 567 | 7 | 3 | 6 | 3.9 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ccncc4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
44453441 | 97661 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 498 | 6 | 3 | 4 | 3.2 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Br)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL271289 | 97661 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 498 | 6 | 3 | 4 | 3.2 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Br)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
46885213 | 8428 | 0 | None | 52 | 3 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 549 | 8 | 2 | 5 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3ccccc3F)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL1093802 | 8428 | 0 | None | 52 | 3 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 549 | 8 | 2 | 5 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3ccccc3F)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
57391767 | 70990 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 534 | 8 | 3 | 6 | 3.3 | CCOc1ccc([C@]2(O)CC[C@H](N3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml200030q | ||
CHEMBL1951779 | 70990 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 534 | 8 | 3 | 6 | 3.3 | CCOc1ccc([C@]2(O)CC[C@H](N3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml200030q | ||
127029034 | 138190 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 440 | 3 | 2 | 6 | 1.9 | CC(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3nc(C(C)(C)C)c(F)s3)CC2)C1 | 10.1039/C5MD00362H | ||
CHEMBL3770008 | 138190 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 440 | 3 | 2 | 6 | 1.9 | CC(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3nc(C(C)(C)C)c(F)s3)CC2)C1 | 10.1039/C5MD00362H | ||
11192346 | 2011 | 57 | None | -1 | 3 | Rat | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
9032 | 2011 | 57 | None | -1 | 3 | Rat | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
CHEMBL2029422 | 2011 | 57 | None | -1 | 3 | Rat | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
10300284 | 73703 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 494 | 11 | 5 | 5 | 3.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(N)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018396 | 73703 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 494 | 11 | 5 | 5 | 3.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(N)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
57396998 | 70985 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3cncnc3)CC2)C1 | 10.1021/ml200030q | ||
CHEMBL1951773 | 70985 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3cncnc3)CC2)C1 | 10.1021/ml200030q | ||
54755919 | 65729 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 516 | 6 | 2 | 7 | 4.5 | O=C(CNc1noc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834651 | 65729 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 516 | 6 | 2 | 7 | 4.5 | O=C(CNc1noc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
54755801 | 65730 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 559 | 8 | 3 | 8 | 3.7 | O=C(CNc1nn(CCO)c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834652 | 65730 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 559 | 8 | 3 | 8 | 3.7 | O=C(CNc1nn(CCO)c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
56659295 | 65780 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 503 | 7 | 2 | 7 | 4.2 | COc1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4noc5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834852 | 65780 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 503 | 7 | 2 | 7 | 4.2 | COc1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4noc5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2011.08.074 | ||
44425629 | 85997 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 536 | 4 | 1 | 2 | 6.8 | C[C@H]1CN([C@@H]2CC[C@H](C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL230616 | 85997 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 536 | 4 | 1 | 2 | 6.8 | C[C@H]1CN([C@@H]2CC[C@H](C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
9956238 | 60168 | 1 | None | 3 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 467 | 8 | 2 | 8 | 3.0 | Cc1nn(C)c2nc(N(C)CCN(C)C)c(C(=O)NC(=O)Nc3cccc(OC(C)C)c3)cc12 | 10.1021/jm1012903 | ||
CHEMBL1688889 | 60168 | 1 | None | 3 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 467 | 8 | 2 | 8 | 3.0 | Cc1nn(C)c2nc(N(C)CCN(C)C)c(C(=O)NC(=O)Nc3cccc(OC(C)C)c3)cc12 | 10.1021/jm1012903 | ||
CHEMBL1739922 | 60168 | 1 | None | 3 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 467 | 8 | 2 | 8 | 3.0 | Cc1nn(C)c2nc(N(C)CCN(C)C)c(C(=O)NC(=O)Nc3cccc(OC(C)C)c3)cc12 | 10.1021/jm1012903 | ||
57656833 | 75200 | 0 | None | -42 | 4 | Rat | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 427 | 3 | 2 | 4 | 2.4 | CC(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036782 | 75200 | 0 | None | -42 | 4 | Rat | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 427 | 3 | 2 | 4 | 2.4 | CC(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
44421923 | 85053 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 321 | 4 | 3 | 4 | 3.2 | Nc1ccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)cc1 | 10.1016/j.bmc.2006.09.052 | ||
CHEMBL224535 | 85053 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 321 | 4 | 3 | 4 | 3.2 | Nc1ccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)cc1 | 10.1016/j.bmc.2006.09.052 | ||
9857714 | 85102 | 2 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 306 | 4 | 2 | 3 | 3.6 | c1ccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)cc1 | 10.1016/j.bmc.2006.09.052 | ||
CHEMBL224885 | 85102 | 2 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 306 | 4 | 2 | 3 | 3.6 | c1ccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)cc1 | 10.1016/j.bmc.2006.09.052 | ||
44421855 | 85085 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 307 | 4 | 2 | 4 | 3.0 | c1cncc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1 | 10.1016/j.bmc.2006.09.052 | ||
CHEMBL224746 | 85085 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 307 | 4 | 2 | 4 | 3.0 | c1cncc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1 | 10.1016/j.bmc.2006.09.052 | ||
11723420 | 136526 | 5 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 318 | 4 | 2 | 4 | 3.5 | Nc1cccc(CN2CCC(Nc3cccc4cnccc34)C2)c1 | 10.1016/j.bmc.2006.10.028 | ||
CHEMBL373759 | 136526 | 5 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 318 | 4 | 2 | 4 | 3.5 | Nc1cccc(CN2CCC(Nc3cccc4cnccc34)C2)c1 | 10.1016/j.bmc.2006.10.028 | ||
57656887 | 75183 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 376 | 4 | 1 | 3 | 3.4 | O=C(Nc1cccc(Cl)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036763 | 75183 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 376 | 4 | 1 | 3 | 3.4 | O=C(Nc1cccc(Cl)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
44447427 | 154823 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 538 | 7 | 1 | 2 | 7.1 | CC(C)C(CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL400516 | 154823 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 538 | 7 | 1 | 2 | 7.1 | CC(C)C(CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2008.01.023 | ||
44447427 | 154823 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 538 | 7 | 1 | 2 | 7.1 | CC(C)C(CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL400516 | 154823 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 538 | 7 | 1 | 2 | 7.1 | CC(C)C(CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2008.01.023 | ||
11570431 | 91953 | 0 | None | -2 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 564 | 13 | 1 | 4 | 7.9 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
CHEMBL241502 | 91953 | 0 | None | -2 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 564 | 13 | 1 | 4 | 7.9 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
22143346 | 172627 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 634 | 11 | 4 | 6 | 4.5 | CCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCCC2)C1 | 10.1016/j.bmcl.2008.07.123 | ||
CHEMBL449672 | 172627 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 634 | 11 | 4 | 6 | 4.5 | CCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCCC2)C1 | 10.1016/j.bmcl.2008.07.123 | ||
10175423 | 188422 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 614 | 10 | 4 | 6 | 4.4 | CCNC(=O)Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@H]1CCCC[C@H]1CS(=O)(=O)c1ccc(SC)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL502515 | 188422 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 614 | 10 | 4 | 6 | 4.4 | CCNC(=O)Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@H]1CCCC[C@H]1CS(=O)(=O)c1ccc(SC)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
10312346 | 188438 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 614 | 9 | 3 | 6 | 4.4 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N(C)C)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL502795 | 188438 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 614 | 9 | 3 | 6 | 4.4 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N(C)C)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
10152864 | 187850 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 543 | 8 | 3 | 6 | 3.2 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL496432 | 187850 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 543 | 8 | 3 | 6 | 3.2 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
49763931 | 65396 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 499 | 6 | 3 | 4 | 3.8 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccc4[nH]cnc4c3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
CHEMBL1829617 | 65396 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 499 | 6 | 3 | 4 | 3.8 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccc4[nH]cnc4c3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
44453330 | 95473 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 483 | 6 | 2 | 3 | 3.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Br)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL257316 | 95473 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 483 | 6 | 2 | 3 | 3.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Br)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
44453300 | 97407 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 451 | 7 | 2 | 4 | 3.5 | CSc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL270005 | 97407 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 451 | 7 | 2 | 4 | 3.5 | CSc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
44416274 | 158530 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 510 | 6 | 1 | 2 | 6.4 | C[C@H]1CN(CCCC(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL409162 | 158530 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 510 | 6 | 1 | 2 | 6.4 | C[C@H]1CN(CCCC(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
24801523 | 97827 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 493 | 7 | 3 | 4 | 4.0 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1021/jm701488f | ||
CHEMBL272168 | 97827 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 493 | 7 | 3 | 4 | 4.0 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1021/jm701488f | ||
10458152 | 77772 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 487 | 8 | 2 | 3 | 5.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccccc1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL209267 | 77772 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 487 | 8 | 2 | 3 | 5.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccccc1 | 10.1016/j.bmcl.2008.01.023 | ||
10458152 | 77772 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 487 | 8 | 2 | 3 | 5.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccccc1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL209267 | 77772 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 487 | 8 | 2 | 3 | 5.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccccc1 | 10.1016/j.bmcl.2008.01.023 | ||
49764446 | 65410 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 518 | 7 | 3 | 5 | 3.1 | CN(C)c1cccc([C@]2(O)CC[C@@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)c1 | 10.1016/j.bmcl.2011.06.080 | ||
CHEMBL1829631 | 65410 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 518 | 7 | 3 | 5 | 3.1 | CN(C)c1cccc([C@]2(O)CC[C@@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)c1 | 10.1016/j.bmcl.2011.06.080 | ||
44453474 | 97843 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 512 | 6 | 3 | 4 | 2.6 | Nc1ccc(I)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL272284 | 97843 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 512 | 6 | 3 | 4 | 2.6 | Nc1ccc(I)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
56659196 | 65773 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 522 | 8 | 3 | 8 | 3.4 | O=C(CNc1nn(CCO)c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3nccs3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834796 | 65773 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 522 | 8 | 3 | 8 | 3.4 | O=C(CNc1nn(CCO)c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3nccs3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
22143258 | 183855 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 522 | 9 | 3 | 5 | 3.9 | CSc1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
CHEMBL481010 | 183855 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 522 | 9 | 3 | 5 | 3.9 | CSc1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
57656942 | 75010 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 376 | 4 | 1 | 3 | 3.4 | O=C(Nc1ccc(Cl)cc1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2035000 | 75010 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 376 | 4 | 1 | 3 | 3.4 | O=C(Nc1ccc(Cl)cc1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
57403699 | 68908 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 539 | 7 | 3 | 4 | 4.4 | NC(=O)C(NC1CCC(c2c[nH]c3cnccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922795 | 68908 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 539 | 7 | 3 | 4 | 4.4 | NC(=O)C(NC1CCC(c2c[nH]c3cnccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
44453004 | 95235 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 453 | 6 | 2 | 3 | 3.9 | CC(NC(=O)c1cccc(C(F)(F)F)c1)C(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL256256 | 95235 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 453 | 6 | 2 | 3 | 3.9 | CC(NC(=O)c1cccc(C(F)(F)F)c1)C(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
10471319 | 84774 | 5 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 321 | 4 | 1 | 3 | 4.1 | Fc1ccc(CN2CCC(Nc3cccc4cnccc34)C2)cc1 | 10.1016/j.bmc.2006.10.028 | ||
CHEMBL223336 | 84774 | 5 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 321 | 4 | 1 | 3 | 4.1 | Fc1ccc(CN2CCC(Nc3cccc4cnccc34)C2)cc1 | 10.1016/j.bmc.2006.10.028 | ||
44439169 | 90745 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 622 | 16 | 1 | 5 | 8.8 | CCC(C)CC(CCCN(CC)CC)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
CHEMBL239170 | 90745 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 622 | 16 | 1 | 5 | 8.8 | CCC(C)CC(CCCN(CC)CC)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
44447446 | 154855 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 570 | 8 | 2 | 5 | 6.4 | Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL400724 | 154855 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 570 | 8 | 2 | 5 | 6.4 | Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
44447424 | 94579 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 510 | 6 | 1 | 2 | 6.4 | CC(CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL252206 | 94579 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 510 | 6 | 1 | 2 | 6.4 | CC(CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2008.01.023 | ||
44447446 | 154855 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 570 | 8 | 2 | 5 | 6.4 | Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL400724 | 154855 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 570 | 8 | 2 | 5 | 6.4 | Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
11306757 | 73708 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 508 | 12 | 5 | 5 | 4.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(NC)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018401 | 73708 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 508 | 12 | 5 | 5 | 4.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(NC)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
11489078 | 73776 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 509 | 12 | 4 | 5 | 4.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(OC)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018530 | 73776 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 509 | 12 | 4 | 5 | 4.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(OC)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
44570781 | 192541 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 515 | 8 | 4 | 4 | 3.7 | CN(C)C1CCC(NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(NCc2ccc3[nH]ccc3c2)C1 | 10.1016/j.bmcl.2008.12.062 | ||
CHEMBL521275 | 192541 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 515 | 8 | 4 | 4 | 3.7 | CN(C)C1CCC(NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(NCc2ccc3[nH]ccc3c2)C1 | 10.1016/j.bmcl.2008.12.062 | ||
46830335 | 8183 | 8 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 565 | 8 | 2 | 5 | 2.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3ccccc3Cl)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL1092238 | 8183 | 8 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 565 | 8 | 2 | 5 | 2.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3ccccc3Cl)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
46842383 | 8313 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 530 | 8 | 2 | 4 | 3.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL1092929 | 8313 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 530 | 8 | 2 | 4 | 3.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
70689915 | 74524 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 611 | 6 | 3 | 9 | 3.3 | O=C(N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1)C1(O)CCN(c2cc(C(F)(F)F)ccn2)CC1 | 10.1021/ml200199c | ||
CHEMBL2029572 | 74524 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 611 | 6 | 3 | 9 | 3.3 | O=C(N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1)C1(O)CCN(c2cc(C(F)(F)F)ccn2)CC1 | 10.1021/ml200199c | ||
44453472 | 155514 | 1 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 454 | 6 | 3 | 4 | 3.1 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL404259 | 155514 | 1 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 454 | 6 | 3 | 4 | 3.1 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
54586021 | 62513 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 494 | 4 | 0 | 5 | 4.1 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](N2CCC3COCCC32)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1782375 | 62513 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 494 | 4 | 0 | 5 | 4.1 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](N2CCC3COCCC32)C1 | 10.1016/j.bmcl.2011.01.034 | ||
57396723 | 68917 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 457 | 6 | 2 | 3 | 3.5 | NC(=O)C(NC1CCc2ccccc21)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922804 | 68917 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 457 | 6 | 2 | 3 | 3.5 | NC(=O)C(NC1CCc2ccccc21)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
10360623 | 85177 | 5 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 351 | 4 | 1 | 3 | 5.0 | Clc1ccc(CN2CCCC(Nc3cccc4cnccc34)C2)cc1 | 10.1016/j.bmc.2006.10.028 | ||
CHEMBL225492 | 85177 | 5 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 351 | 4 | 1 | 3 | 5.0 | Clc1ccc(CN2CCCC(Nc3cccc4cnccc34)C2)cc1 | 10.1016/j.bmc.2006.10.028 | ||
44447424 | 94579 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 510 | 6 | 1 | 2 | 6.4 | CC(CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL252206 | 94579 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 510 | 6 | 1 | 2 | 6.4 | CC(CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2008.01.023 | ||
44583280 | 172425 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 640 | 9 | 3 | 6 | 4.9 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCCC2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL447937 | 172425 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 640 | 9 | 3 | 6 | 4.9 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCCC2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
10281316 | 73693 | 0 | None | -2 | 3 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 565 | 13 | 6 | 5 | 3.6 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NCC | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018386 | 73693 | 0 | None | -2 | 3 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 565 | 13 | 6 | 5 | 3.6 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NCC | 10.1016/j.bmcl.2012.03.007 | ||
44453327 | 95066 | 25 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 439 | 6 | 2 | 3 | 3.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL255408 | 95066 | 25 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 439 | 6 | 2 | 3 | 3.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
10162782 | 73677 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 479 | 11 | 4 | 4 | 3.5 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018370 | 73677 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 479 | 11 | 4 | 4 | 3.5 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
44442590 | 93743 | 0 | None | 169 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 606 | 11 | 6 | 5 | 3.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL247455 | 93743 | 0 | None | 169 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 606 | 11 | 6 | 5 | 3.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
49763804 | 65395 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 528 | 7 | 2 | 4 | 4.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccc(N4CCCC4)cc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
CHEMBL1829616 | 65395 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 528 | 7 | 2 | 4 | 4.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccc(N4CCCC4)cc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
11510932 | 75173 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 460 | 5 | 1 | 3 | 5.1 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCCN(Cc3ccccc3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036753 | 75173 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 460 | 5 | 1 | 3 | 5.1 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCCN(Cc3ccccc3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
145962732 | 161333 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 554 | 8 | 0 | 6 | 4.3 | CN(C1CCN(CCCN2CCCc3c(ccnc3Oc3ccc(Cl)c(Cl)c3)C2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
CHEMBL4126032 | 161333 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 554 | 8 | 0 | 6 | 4.3 | CN(C1CCN(CCCN2CCCc3c(ccnc3Oc3ccc(Cl)c(Cl)c3)C2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
44580591 | 187835 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 551 | 9 | 4 | 6 | 3.1 | CCCN1CCC(NC(=O)c2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(N)cc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2008.07.123 | ||
CHEMBL496344 | 187835 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 551 | 9 | 4 | 6 | 3.1 | CCCN1CCC(NC(=O)c2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(N)cc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2008.07.123 | ||
49763682 | 65391 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 489 | 7 | 2 | 4 | 4.0 | COc1ccc([C@H]2CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2011.06.080 | ||
CHEMBL1829612 | 65391 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 489 | 7 | 2 | 4 | 4.0 | COc1ccc([C@H]2CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2011.06.080 | ||
44447432 | 154824 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 564 | 8 | 1 | 2 | 7.5 | C[C@H]1CN(CCC(CC2CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL400517 | 154824 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 564 | 8 | 1 | 2 | 7.5 | C[C@H]1CN(CCC(CC2CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
44447432 | 154824 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 564 | 8 | 1 | 2 | 7.5 | C[C@H]1CN(CCC(CC2CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL400517 | 154824 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 564 | 8 | 1 | 2 | 7.5 | C[C@H]1CN(CCC(CC2CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
50991056 | 62536 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)cnn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1782572 | 62536 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)cnn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
57394966 | 68898 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 495 | 6 | 2 | 2 | 6.2 | O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC(CNC2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922785 | 68898 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 495 | 6 | 2 | 2 | 6.2 | O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC(CNC2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
145953092 | 161314 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 539 | 8 | 1 | 6 | 3.9 | CN(C1CCN(CCCN2CCc3cnc(Nc4ccc(Cl)c(Cl)c4)cc3C2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
CHEMBL4125768 | 161314 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 539 | 8 | 1 | 6 | 3.9 | CN(C1CCN(CCCN2CCc3cnc(Nc4ccc(Cl)c(Cl)c4)cc3C2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
22143309 | 187917 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 537 | 10 | 4 | 6 | 3.5 | CCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(N)cc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2008.07.123 | ||
CHEMBL496959 | 187917 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 537 | 10 | 4 | 6 | 3.5 | CCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(N)cc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2008.07.123 | ||
10111333 | 175443 | 0 | None | 19 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 395 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
CHEMBL4577133 | 175443 | 0 | None | 19 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 395 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
10142792 | 93712 | 0 | None | 26 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 521 | 9 | 5 | 5 | 2.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL247245 | 93712 | 0 | None | 26 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 521 | 9 | 5 | 5 | 2.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
57656869 | 75192 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 412 | 4 | 1 | 4 | 3.0 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@H]2CN(C3CC3)CCO2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036774 | 75192 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 412 | 4 | 1 | 4 | 3.0 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@H]2CN(C3CC3)CCO2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
52943756 | 19258 | 0 | None | -23 | 2 | Mouse | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 489 | 6 | 3 | 4 | 3.3 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1O | 10.1016/j.bmcl.2010.10.020 | ||
CHEMBL1290412 | 19258 | 0 | None | -23 | 2 | Mouse | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 489 | 6 | 3 | 4 | 3.3 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1O | 10.1016/j.bmcl.2010.10.020 | ||
49764196 | 65412 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 519 | 6 | 3 | 6 | 2.8 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@](O)(c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
CHEMBL1829633 | 65412 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 519 | 6 | 3 | 6 | 2.8 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@](O)(c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
44570717 | 183808 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 544 | 8 | 3 | 4 | 4.2 | CN(C)C1CCC(NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(NCc2cccc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2008.12.062 | ||
CHEMBL480620 | 183808 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 544 | 8 | 3 | 4 | 4.2 | CN(C)C1CCC(NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(NCc2cccc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2008.12.062 | ||
56676474 | 65782 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 479 | 6 | 2 | 7 | 4.2 | O=C(CNc1noc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3nccs3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834854 | 65782 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 479 | 6 | 2 | 7 | 4.2 | O=C(CNc1noc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3nccs3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
183790 | 3715 | 11 | None | -1 | 5 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/s0960-894x(00)00347-4 | ||
783 | 3715 | 11 | None | -1 | 5 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/s0960-894x(00)00347-4 | ||
CHEMBL1178786 | 3715 | 11 | None | -1 | 5 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/s0960-894x(00)00347-4 | ||
44425309 | 142332 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 636 | 8 | 2 | 5 | 7.0 | CC(=O)Nc1nc([C@@H](CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
CHEMBL388867 | 142332 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 636 | 8 | 2 | 5 | 7.0 | CC(=O)Nc1nc([C@@H](CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
183790 | 3715 | 11 | None | -1 | 5 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm010468s | ||
783 | 3715 | 11 | None | -1 | 5 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm010468s | ||
CHEMBL1178786 | 3715 | 11 | None | -1 | 5 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm010468s | ||
183790 | 3715 | 11 | None | -1 | 5 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
783 | 3715 | 11 | None | -1 | 5 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
CHEMBL1178786 | 3715 | 11 | None | -1 | 5 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
22143334 | 187784 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 509 | 8 | 4 | 6 | 2.7 | CSc1ccc(CNC2CCN(C)CC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
CHEMBL495924 | 187784 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 509 | 8 | 4 | 6 | 2.7 | CSc1ccc(CNC2CCN(C)CC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
57344297 | 68924 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 502 | 7 | 3 | 3 | 4.7 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccccc2F)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922815 | 68924 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 502 | 7 | 3 | 3 | 4.7 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccccc2F)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
11711078 | 75191 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 400 | 4 | 1 | 4 | 2.9 | CCN1CCO[C@@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036773 | 75191 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 400 | 4 | 1 | 4 | 2.9 | CCN1CCO[C@@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
46240584 | 83551 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 532 | 6 | 3 | 6 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3nc4ccccc4s3)CC2)C1 | 10.1021/ml300260s | ||
CHEMBL2204262 | 83551 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 532 | 6 | 3 | 6 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3nc4ccccc4s3)CC2)C1 | 10.1021/ml300260s | ||
46944854 | 65399 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 490 | 7 | 2 | 5 | 3.4 | COc1cnccc1[C@H]1CC[C@H](N2CC(NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1 | 10.1016/j.bmcl.2011.06.080 | ||
CHEMBL1829620 | 65399 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 490 | 7 | 2 | 5 | 3.4 | COc1cnccc1[C@H]1CC[C@H](N2CC(NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1 | 10.1016/j.bmcl.2011.06.080 | ||
54756156 | 65755 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 507 | 9 | 2 | 7 | 3.6 | C=CCn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](C(=O)OCC)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834779 | 65755 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 507 | 9 | 2 | 7 | 3.6 | C=CCn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](C(=O)OCC)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
44447431 | 94642 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 564 | 7 | 1 | 2 | 7.5 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CCC2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL252611 | 94642 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 564 | 7 | 1 | 2 | 7.5 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CCC2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
44425642 | 142321 | 0 | None | 12 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 582 | 5 | 1 | 3 | 7.3 | CS[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL388675 | 142321 | 0 | None | 12 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 582 | 5 | 1 | 3 | 7.3 | CS[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
44447431 | 94642 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 564 | 7 | 1 | 2 | 7.5 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CCC2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL252611 | 94642 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 564 | 7 | 1 | 2 | 7.5 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CCC2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
44425642 | 142321 | 0 | None | 12 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 582 | 5 | 1 | 3 | 7.3 | CS[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL388675 | 142321 | 0 | None | 12 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 582 | 5 | 1 | 3 | 7.3 | CS[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
11678573 | 90610 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 566 | 13 | 1 | 5 | 7.4 | CCN(CC)CCCC(C)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
CHEMBL238936 | 90610 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 566 | 13 | 1 | 5 | 7.4 | CCN(CC)CCCC(C)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
57656713 | 75176 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 488 | 7 | 1 | 3 | 5.5 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCCN(CCCc3ccccc3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036756 | 75176 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 488 | 7 | 1 | 3 | 5.5 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCCN(CCCc3ccccc3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
44447433 | 94665 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 530 | 8 | 1 | 2 | 6.8 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(c2ccc(F)cc2)CC1)C1CC1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL252813 | 94665 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 530 | 8 | 1 | 2 | 6.8 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(c2ccc(F)cc2)CC1)C1CC1 | 10.1016/j.bmcl.2008.01.023 | ||
44447433 | 94665 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 530 | 8 | 1 | 2 | 6.8 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(c2ccc(F)cc2)CC1)C1CC1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL252813 | 94665 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 530 | 8 | 1 | 2 | 6.8 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(c2ccc(F)cc2)CC1)C1CC1 | 10.1016/j.bmcl.2008.01.023 | ||
22143293 | 188003 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 495 | 8 | 5 | 6 | 2.4 | CSc1ccc(CNC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
CHEMBL497577 | 188003 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 495 | 8 | 5 | 6 | 2.4 | CSc1ccc(CNC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
44447434 | 94666 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 512 | 8 | 1 | 2 | 6.6 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(c2ccccc2)CC1)C1CC1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL252814 | 94666 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 512 | 8 | 1 | 2 | 6.6 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(c2ccccc2)CC1)C1CC1 | 10.1016/j.bmcl.2008.01.023 | ||
44453535 | 155150 | 1 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 473 | 6 | 2 | 3 | 4.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2Cl)C1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL402322 | 155150 | 1 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 473 | 6 | 2 | 3 | 4.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2Cl)C1 | 10.1016/j.bmcl.2008.02.015 | ||
44447434 | 94666 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 512 | 8 | 1 | 2 | 6.6 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(c2ccccc2)CC1)C1CC1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL252814 | 94666 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 512 | 8 | 1 | 2 | 6.6 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(c2ccccc2)CC1)C1CC1 | 10.1016/j.bmcl.2008.01.023 | ||
155521447 | 170560 | 0 | None | 3 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 421 | 4 | 1 | 3 | 4.7 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1)C1CC1 | 10.1021/acs.jmedchem.8b00605 | ||
CHEMBL4450561 | 170560 | 0 | None | 3 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 421 | 4 | 1 | 3 | 4.7 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1)C1CC1 | 10.1021/acs.jmedchem.8b00605 | ||
11227168 | 74521 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 596 | 6 | 2 | 9 | 3.6 | O=C(C1CCN(c2nccc(C(F)(F)F)n2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | ||
CHEMBL2029569 | 74521 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 596 | 6 | 2 | 9 | 3.6 | O=C(C1CCN(c2nccc(C(F)(F)F)n2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | ||
46884818 | 7839 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 548 | 8 | 2 | 4 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccccc3F)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL1089881 | 7839 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 548 | 8 | 2 | 4 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccccc3F)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
145963669 | 161535 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 553 | 8 | 1 | 6 | 4.3 | CN(C1CCN(CCCN2CCCc3c(ccnc3Nc3cc(Cl)cc(Cl)c3)C2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
CHEMBL4128832 | 161535 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 553 | 8 | 1 | 6 | 4.3 | CN(C1CCN(CCCN2CCCc3c(ccnc3Nc3cc(Cl)cc(Cl)c3)C2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
44416157 | 80566 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 564 | 8 | 1 | 2 | 7.5 | C[C@H]1CN(CC[C@H](CC2CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | ||
CHEMBL215020 | 80566 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 564 | 8 | 1 | 2 | 7.5 | C[C@H]1CN(CC[C@H](CC2CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | ||
22143309 | 187917 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 537 | 10 | 4 | 6 | 3.5 | CCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(N)cc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2008.07.123 | ||
CHEMBL496959 | 187917 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 537 | 10 | 4 | 6 | 3.5 | CCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(N)cc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2008.07.123 | ||
22143112 | 188421 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 594 | 11 | 5 | 6 | 3.7 | CCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC)C1 | 10.1016/j.bmcl.2008.07.123 | ||
CHEMBL502513 | 188421 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 594 | 11 | 5 | 6 | 3.7 | CCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC)C1 | 10.1016/j.bmcl.2008.07.123 | ||
57395219 | 70982 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 490 | 6 | 3 | 5 | 2.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3ccncc3)CC2)C1 | 10.1021/ml200030q | ||
CHEMBL1951770 | 70982 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 490 | 6 | 3 | 5 | 2.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3ccncc3)CC2)C1 | 10.1021/ml200030q | ||
11756884 | 19057 | 0 | None | 25 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 533 | 8 | 3 | 5 | 3.5 | CCO[C@H]1CN([C@H]2CC[C@@](O)(c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
CHEMBL1289083 | 19057 | 0 | None | 25 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 533 | 8 | 3 | 5 | 3.5 | CCO[C@H]1CN([C@H]2CC[C@@](O)(c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
54754969 | 65710 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 515 | 6 | 3 | 6 | 4.2 | O=C(CNc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834632 | 65710 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 515 | 6 | 3 | 6 | 4.2 | O=C(CNc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
44425645 | 86053 | 0 | None | 7 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 528 | 5 | 1 | 2 | 7.0 | CC(C)[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL230933 | 86053 | 0 | None | 7 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 528 | 5 | 1 | 2 | 7.0 | CC(C)[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
44453442 | 97662 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 434 | 6 | 3 | 4 | 2.7 | Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL271290 | 97662 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 434 | 6 | 3 | 4 | 2.7 | Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
44425645 | 86053 | 0 | None | 7 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 528 | 5 | 1 | 2 | 7.0 | CC(C)[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL230933 | 86053 | 0 | None | 7 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 528 | 5 | 1 | 2 | 7.0 | CC(C)[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
57395217 | 70980 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 490 | 6 | 3 | 5 | 2.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3ccccn3)CC2)C1 | 10.1021/ml200030q | ||
CHEMBL1951768 | 70980 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 490 | 6 | 3 | 5 | 2.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3ccccn3)CC2)C1 | 10.1021/ml200030q | ||
50992246 | 58441 | 2 | None | -1 | 5 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1683074 | 58441 | 2 | None | -1 | 5 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
50992246 | 58441 | 2 | None | -1 | 5 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
CHEMBL1683074 | 58441 | 2 | None | -1 | 5 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
44593561 | 12631 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 452 | 6 | 2 | 3 | 4.5 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2COC2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
CHEMBL1187238 | 12631 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 452 | 6 | 2 | 3 | 4.5 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2COC2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
CHEMBL494580 | 12631 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 452 | 6 | 2 | 3 | 4.5 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2COC2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
11192346 | 2011 | 57 | None | 1 | 3 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
9032 | 2011 | 57 | None | 1 | 3 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
CHEMBL2029422 | 2011 | 57 | None | 1 | 3 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
67011331 | 74516 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 557 | 7 | 3 | 7 | 3.5 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncco4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
CHEMBL2029424 | 74516 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 557 | 7 | 3 | 7 | 3.5 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncco4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
44425653 | 86200 | 0 | None | 4 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 546 | 6 | 1 | 3 | 6.7 | CSC[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL231246 | 86200 | 0 | None | 4 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 546 | 6 | 1 | 3 | 6.7 | CSC[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
44425290 | 153507 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 628 | 9 | 2 | 6 | 7.0 | COC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL397997 | 153507 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 628 | 9 | 2 | 6 | 7.0 | COC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
11627639 | 94904 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 511 | 6 | 2 | 3 | 5.1 | O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC([C@@H](CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
CHEMBL254355 | 94904 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 511 | 6 | 2 | 3 | 5.1 | O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC([C@@H](CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
44425653 | 86200 | 0 | None | 4 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 546 | 6 | 1 | 3 | 6.7 | CSC[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL231246 | 86200 | 0 | None | 4 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 546 | 6 | 1 | 3 | 6.7 | CSC[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
44425290 | 153507 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 628 | 9 | 2 | 6 | 7.0 | COC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL397997 | 153507 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 628 | 9 | 2 | 6 | 7.0 | COC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
44453472 | 155514 | 1 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 454 | 6 | 3 | 4 | 3.1 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL404259 | 155514 | 1 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 454 | 6 | 3 | 4 | 3.1 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
24801689 | 97766 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 651 | 9 | 5 | 6 | 3.5 | NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)C2CCCCC2)cc1 | 10.1021/jm701488f | ||
CHEMBL271828 | 97766 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 651 | 9 | 5 | 6 | 3.5 | NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)C2CCCCC2)cc1 | 10.1021/jm701488f | ||
46830336 | 7818 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 567 | 8 | 2 | 5 | 2.4 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3cc(F)ccc3F)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL1089793 | 7818 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 567 | 8 | 2 | 5 | 2.4 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3cc(F)ccc3F)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
11421712 | 74514 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4cnccn4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
CHEMBL2029421 | 74514 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4cnccn4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
10008367 | 2009 | 50 | None | 2 | 3 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@@H]1CC[C@](CC1)(O)c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2010.10.020 | ||
777 | 2009 | 50 | None | 2 | 3 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@@H]1CC[C@](CC1)(O)c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2010.10.020 | ||
CHEMBL1289316 | 2009 | 50 | None | 2 | 3 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@@H]1CC[C@](CC1)(O)c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2010.10.020 | ||
CHEMBL2426341 | 2009 | 50 | None | 2 | 3 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@@H]1CC[C@](CC1)(O)c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2010.10.020 | ||
44425647 | 86072 | 0 | None | 5 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 542 | 6 | 1 | 2 | 7.4 | CC(C)C[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL231039 | 86072 | 0 | None | 5 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 542 | 6 | 1 | 2 | 7.4 | CC(C)C[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
57395218 | 70981 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 490 | 6 | 3 | 5 | 2.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3cccnc3)CC2)C1 | 10.1021/ml200030q | ||
CHEMBL1951769 | 70981 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 490 | 6 | 3 | 5 | 2.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3cccnc3)CC2)C1 | 10.1021/ml200030q | ||
11192346 | 2011 | 57 | None | 1 | 3 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
9032 | 2011 | 57 | None | 1 | 3 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
CHEMBL2029422 | 2011 | 57 | None | 1 | 3 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
50992246 | 58441 | 2 | None | -1 | 5 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1683074 | 58441 | 2 | None | -1 | 5 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
508869 | 95411 | 1 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 446 | 7 | 3 | 4 | 3.1 | C=Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL257066 | 95411 | 1 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 446 | 7 | 3 | 4 | 3.1 | C=Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
44425647 | 86072 | 0 | None | 5 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 542 | 6 | 1 | 2 | 7.4 | CC(C)C[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL231039 | 86072 | 0 | None | 5 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 542 | 6 | 1 | 2 | 7.4 | CC(C)C[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
44425643 | 86013 | 0 | None | 14 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 500 | 4 | 1 | 2 | 6.3 | C[C@H]1CN([C@@H]2CC[C@](C)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL230722 | 86013 | 0 | None | 14 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 500 | 4 | 1 | 2 | 6.3 | C[C@H]1CN([C@@H]2CC[C@](C)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
46241717 | 83538 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 520 | 8 | 3 | 6 | 2.9 | CCOc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml300260s | ||
CHEMBL2204249 | 83538 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 520 | 8 | 3 | 6 | 2.9 | CCOc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml300260s | ||
46208367 | 83552 | 13 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 482 | 6 | 3 | 6 | 2.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3cncs3)CC2)C1 | 10.1021/ml300260s | ||
CHEMBL2204263 | 83552 | 13 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 482 | 6 | 3 | 6 | 2.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3cncs3)CC2)C1 | 10.1021/ml300260s | ||
24801522 | 161113 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 573 | 6 | 3 | 3 | 3.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@H]1NC(=O)c1ccc(I)cc1 | 10.1021/jm701488f | ||
CHEMBL411726 | 161113 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 573 | 6 | 3 | 3 | 3.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@H]1NC(=O)c1ccc(I)cc1 | 10.1021/jm701488f | ||
56657929 | 65762 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 485 | 6 | 2 | 5 | 4.5 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4ccccc4)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834785 | 65762 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 485 | 6 | 2 | 5 | 4.5 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4ccccc4)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
46842383 | 8313 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 530 | 8 | 2 | 4 | 3.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL1092929 | 8313 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 530 | 8 | 2 | 4 | 3.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
44425308 | 153682 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 627 | 9 | 3 | 5 | 6.6 | CNC(=O)Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL398150 | 153682 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 627 | 9 | 3 | 5 | 6.6 | CNC(=O)Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
10111333 | 175443 | 0 | None | 19 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 395 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
CHEMBL4577133 | 175443 | 0 | None | 19 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 395 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
44425308 | 153682 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 627 | 9 | 3 | 5 | 6.6 | CNC(=O)Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL398150 | 153682 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 627 | 9 | 3 | 5 | 6.6 | CNC(=O)Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
54585107 | 62531 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3ccnc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1782567 | 62531 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3ccnc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
44353447 | 3746 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1016/j.bmcl.2010.02.072 | ||
785 | 3746 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL337246 | 3746 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1016/j.bmcl.2010.02.072 | ||
137654404 | 158545 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 551 | 8 | 1 | 4 | 6.4 | Cc1ccc(-c2ccc3c(c2)C(=O)N(CC(C)C)CC(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)=C3)cc1 | 10.1016/j.ejmech.2017.04.046 | ||
CHEMBL4091736 | 158545 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 551 | 8 | 1 | 4 | 6.4 | Cc1ccc(-c2ccc3c(c2)C(=O)N(CC(C)C)CC(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)=C3)cc1 | 10.1016/j.ejmech.2017.04.046 | ||
44421922 | 144525 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 321 | 4 | 3 | 4 | 3.2 | Nc1cccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1 | 10.1016/j.bmc.2006.09.052 | ||
CHEMBL390736 | 144525 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 321 | 4 | 3 | 4 | 3.2 | Nc1cccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1 | 10.1016/j.bmc.2006.09.052 | ||
9836178 | 85048 | 2 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 306 | 4 | 2 | 3 | 3.6 | c1ccc(CN2CCC(Nc3ccc4[nH]ncc4c3)CC2)cc1 | 10.1016/j.bmc.2006.09.052 | ||
CHEMBL224500 | 85048 | 2 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 306 | 4 | 2 | 3 | 3.6 | c1ccc(CN2CCC(Nc3ccc4[nH]ncc4c3)CC2)cc1 | 10.1016/j.bmc.2006.09.052 | ||
10245340 | 168913 | 5 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 318 | 4 | 2 | 4 | 3.5 | Nc1cccc(CN2CC[C@H](Nc3cccc4cnccc34)C2)c1 | 10.1016/j.bmc.2006.10.028 | ||
CHEMBL438783 | 168913 | 5 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 318 | 4 | 2 | 4 | 3.5 | Nc1cccc(CN2CC[C@H](Nc3cccc4cnccc34)C2)c1 | 10.1016/j.bmc.2006.10.028 | ||
67011331 | 74516 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 557 | 7 | 3 | 7 | 3.5 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncco4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
CHEMBL2029424 | 74516 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 557 | 7 | 3 | 7 | 3.5 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncco4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
57656657 | 75180 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 444 | 4 | 1 | 3 | 4.4 | O=C(Nc1ccc(C(F)(F)F)c(Cl)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036760 | 75180 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 444 | 4 | 1 | 3 | 4.4 | O=C(Nc1ccc(C(F)(F)F)c(Cl)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
56671792 | 65764 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 472 | 6 | 3 | 5 | 3.9 | O=C(CNc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3cccnc3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834787 | 65764 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 472 | 6 | 3 | 5 | 3.9 | O=C(CNc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3cccnc3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
162666730 | 182250 | 1 | None | 562 | 3 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
CHEMBL4783861 | 182250 | 1 | None | 562 | 3 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
122181149 | 121811 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 494 | 7 | 1 | 4 | 4.8 | COc1ccc2c(c1)CCOC21CCN(CCCC(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC1 | 10.1016/j.bmc.2015.02.019 | ||
CHEMBL3589844 | 121811 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 494 | 7 | 1 | 4 | 4.8 | COc1ccc2c(c1)CCOC21CCN(CCCC(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC1 | 10.1016/j.bmc.2015.02.019 | ||
11534473 | 90670 | 0 | None | 117 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 594 | 14 | 1 | 5 | 8.0 | CCN(CC)CCCC(NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1)C(C)C | 10.1016/j.bmcl.2006.10.060 | ||
CHEMBL239144 | 90670 | 0 | None | 117 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 594 | 14 | 1 | 5 | 8.0 | CCN(CC)CCCC(NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1)C(C)C | 10.1016/j.bmcl.2006.10.060 | ||
10117480 | 73687 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 494 | 11 | 5 | 5 | 3.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1N | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018380 | 73687 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 494 | 11 | 5 | 5 | 3.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1N | 10.1016/j.bmcl.2012.03.007 | ||
70688149 | 75195 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 413 | 4 | 2 | 4 | 2.8 | CC(C)N1CCN[C@@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036777 | 75195 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 413 | 4 | 2 | 4 | 2.8 | CC(C)N1CCN[C@@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
44296219 | 101287 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 435 | 4 | 1 | 5 | 5.2 | Cc1ccc2c(c1)C1(CCN(CCc3nc(-c4ccc(F)cc4)oc3C)CC1)OC(=O)N2 | 10.1016/s0960-894x(00)00347-4 | ||
CHEMBL296609 | 101287 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 435 | 4 | 1 | 5 | 5.2 | Cc1ccc2c(c1)C1(CCN(CCc3nc(-c4ccc(F)cc4)oc3C)CC1)OC(=O)N2 | 10.1016/s0960-894x(00)00347-4 | ||
44442598 | 154363 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 465 | 9 | 5 | 5 | 1.4 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2N)C(N)=O)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL398747 | 154363 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 465 | 9 | 5 | 5 | 1.4 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2N)C(N)=O)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
71452241 | 83539 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 574 | 8 | 3 | 6 | 3.4 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3ccc(OCC(F)(F)F)nc3)CC2)C1 | 10.1021/ml300260s | ||
CHEMBL2204250 | 83539 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 574 | 8 | 3 | 6 | 3.4 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3ccc(OCC(F)(F)F)nc3)CC2)C1 | 10.1021/ml300260s | ||
10120067 | 73700 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 550 | 12 | 5 | 5 | 4.7 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(C)(C)C | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018393 | 73700 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 550 | 12 | 5 | 5 | 4.7 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(C)(C)C | 10.1016/j.bmcl.2012.03.007 | ||
70689914 | 74523 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 552 | 6 | 2 | 9 | 3.0 | N#Cc1ccnc(N2CCC(C(=O)N3CC[C@H](N[C@H]4CC[C@@](O)(c5ccc(-c6ncccn6)cn5)CC4)C3)CC2)c1 | 10.1021/ml200199c | ||
CHEMBL2029571 | 74523 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 552 | 6 | 2 | 9 | 3.0 | N#Cc1ccnc(N2CCC(C(=O)N3CC[C@H](N[C@H]4CC[C@@](O)(c5ccc(-c6ncccn6)cn5)CC4)C3)CC2)c1 | 10.1021/ml200199c | ||
70689915 | 74524 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 611 | 6 | 3 | 9 | 3.3 | O=C(N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1)C1(O)CCN(c2cc(C(F)(F)F)ccn2)CC1 | 10.1021/ml200199c | ||
CHEMBL2029572 | 74524 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 611 | 6 | 3 | 9 | 3.3 | O=C(N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1)C1(O)CCN(c2cc(C(F)(F)F)ccn2)CC1 | 10.1021/ml200199c | ||
162666730 | 182250 | 1 | None | 562 | 3 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
CHEMBL4783861 | 182250 | 1 | None | 562 | 3 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
56659197 | 65774 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 506 | 6 | 2 | 7 | 4.3 | Cc1ncc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)s1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834797 | 65774 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 506 | 6 | 2 | 7 | 4.3 | Cc1ncc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)s1 | 10.1016/j.bmcl.2011.08.074 | ||
22725647 | 173675 | 0 | None | 52 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 347 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)c(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
CHEMBL4535696 | 173675 | 0 | None | 52 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 347 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)c(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
155521447 | 170560 | 0 | None | 3 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 421 | 4 | 1 | 3 | 4.7 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1)C1CC1 | 10.1021/acs.jmedchem.8b00605 | ||
CHEMBL4450561 | 170560 | 0 | None | 3 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 421 | 4 | 1 | 3 | 4.7 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1)C1CC1 | 10.1021/acs.jmedchem.8b00605 | ||
145954949 | 161620 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 539 | 8 | 2 | 6 | 3.9 | CS(=O)(=O)NC1CCN(CCCN2CCCc3c(ccnc3Nc3ccc(Cl)c(Cl)c3)C2=O)CC1 | 10.1016/j.bmc.2018.05.027 | ||
CHEMBL4130191 | 161620 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 539 | 8 | 2 | 6 | 3.9 | CS(=O)(=O)NC1CCN(CCCN2CCCc3c(ccnc3Nc3ccc(Cl)c(Cl)c3)C2=O)CC1 | 10.1016/j.bmc.2018.05.027 | ||
10129343 | 173241 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 642 | 11 | 3 | 6 | 5.2 | CCN(CC)C(=O)Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@H]1CCCC[C@H]1CS(=O)(=O)c1ccc(SC)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL452509 | 173241 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 642 | 11 | 3 | 6 | 5.2 | CCN(CC)C(=O)Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@H]1CCCC[C@H]1CS(=O)(=O)c1ccc(SC)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
56668309 | 65746 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 558 | 6 | 3 | 8 | 3.6 | NC(=O)n1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4ccc5c(c4)OCO5)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834718 | 65746 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 558 | 6 | 3 | 8 | 3.6 | NC(=O)n1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4ccc5c(c4)OCO5)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
54756038 | 65748 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 468 | 7 | 2 | 7 | 3.2 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3noc4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834720 | 65748 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 468 | 7 | 2 | 7 | 3.2 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3noc4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
49763571 | 65388 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 459 | 6 | 2 | 3 | 4.0 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
CHEMBL1829609 | 65388 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 459 | 6 | 2 | 3 | 4.0 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
46945254 | 65405 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 475 | 6 | 3 | 5 | 2.9 | Nc1cccnc1[C@H]1CC[C@H](N2CC(NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1 | 10.1016/j.bmcl.2011.06.080 | ||
CHEMBL1829626 | 65405 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 475 | 6 | 3 | 5 | 2.9 | Nc1cccnc1[C@H]1CC[C@H](N2CC(NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1 | 10.1016/j.bmcl.2011.06.080 | ||
57344305 | 68910 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 539 | 7 | 3 | 4 | 4.4 | NC(=O)C(NC1CCC(c2c[nH]c3cccnc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922797 | 68910 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 539 | 7 | 3 | 4 | 4.4 | NC(=O)C(NC1CCC(c2c[nH]c3cccnc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
44453373 | 97783 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 435 | 7 | 2 | 4 | 2.8 | COc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL271935 | 97783 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 435 | 7 | 2 | 4 | 2.8 | COc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
54755079 | 65711 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 528 | 8 | 4 | 5 | 3.5 | NC(=O)Cc1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4n[nH]c5ccc(C(F)(F)F)cc45)C3)CC2)cc1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834633 | 65711 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 528 | 8 | 4 | 5 | 3.5 | NC(=O)Cc1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4n[nH]c5ccc(C(F)(F)F)cc45)C3)CC2)cc1 | 10.1016/j.bmcl.2011.08.074 | ||
3547 | 141348 | 71 | None | -8 | 8 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 291 | 2 | 1 | 4 | 1.2 | O=S(=O)(c1cccc2cnccc12)N1CCCNCC1 | 10.1016/j.bmc.2006.09.052 | ||
CHEMBL38380 | 141348 | 71 | None | -8 | 8 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 291 | 2 | 1 | 4 | 1.2 | O=S(=O)(c1cccc2cnccc12)N1CCCNCC1 | 10.1016/j.bmc.2006.09.052 | ||
CHEMBL541388 | 141348 | 71 | None | -8 | 8 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 291 | 2 | 1 | 4 | 1.2 | O=S(=O)(c1cccc2cnccc12)N1CCCNCC1 | 10.1016/j.bmc.2006.09.052 | ||
3547 | 141348 | 71 | None | -8 | 8 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 291 | 2 | 1 | 4 | 1.2 | O=S(=O)(c1cccc2cnccc12)N1CCCNCC1 | 10.1016/j.bmc.2006.10.028 | ||
CHEMBL38380 | 141348 | 71 | None | -8 | 8 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 291 | 2 | 1 | 4 | 1.2 | O=S(=O)(c1cccc2cnccc12)N1CCCNCC1 | 10.1016/j.bmc.2006.10.028 | ||
CHEMBL541388 | 141348 | 71 | None | -8 | 8 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 291 | 2 | 1 | 4 | 1.2 | O=S(=O)(c1cccc2cnccc12)N1CCCNCC1 | 10.1016/j.bmc.2006.10.028 | ||
122181236 | 121825 | 0 | None | 13 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 588 | 8 | 1 | 4 | 6.3 | COc1ccc2c(c1)CCOC21CCN(CCC(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CC1 | 10.1016/j.bmc.2015.02.019 | ||
CHEMBL3589950 | 121825 | 0 | None | 13 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 588 | 8 | 1 | 4 | 6.3 | COc1ccc2c(c1)CCOC21CCN(CCC(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CC1 | 10.1016/j.bmc.2015.02.019 | ||
11319072 | 74513 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4cncnc4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
CHEMBL2029420 | 74513 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4cncnc4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
57344296 | 68922 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 502 | 7 | 3 | 3 | 4.7 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922813 | 68922 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 502 | 7 | 3 | 3 | 4.7 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
23630215 | 62514 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 508 | 5 | 1 | 5 | 4.3 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](NC2C3CCCC2COC3)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1782376 | 62514 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 508 | 5 | 1 | 5 | 4.3 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](NC2C3CCCC2COC3)C1 | 10.1016/j.bmcl.2011.01.034 | ||
44453134 | 98036 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 455 | 7 | 2 | 4 | 3.4 | O=C(CNC(=O)c1cccc(OC(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL273195 | 98036 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 455 | 7 | 2 | 4 | 3.4 | O=C(CNC(=O)c1cccc(OC(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
67220645 | 75201 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 399 | 2 | 2 | 4 | 1.6 | CN1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036783 | 75201 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 399 | 2 | 2 | 4 | 1.6 | CN1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
44453298 | 155215 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 421 | 6 | 3 | 4 | 2.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(O)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL402723 | 155215 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 421 | 6 | 3 | 4 | 2.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(O)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
44442599 | 93620 | 0 | None | 31 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 585 | 9 | 5 | 5 | 3.3 | Cc1cc(Br)ccc1CNC[C@H](NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1N)C(=O)NC(C)(C)C | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL246804 | 93620 | 0 | None | 31 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 585 | 9 | 5 | 5 | 3.3 | Cc1cc(Br)ccc1CNC[C@H](NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1N)C(=O)NC(C)(C)C | 10.1016/j.bmcl.2007.07.028 | ||
11353843 | 74518 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 594 | 6 | 2 | 7 | 4.8 | O=C(C1CCN(c2cccc(C(F)(F)F)c2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | ||
CHEMBL2029566 | 74518 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 594 | 6 | 2 | 7 | 4.8 | O=C(C1CCN(c2cccc(C(F)(F)F)c2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | ||
56683121 | 65781 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 479 | 6 | 2 | 7 | 4.2 | O=C(CNc1noc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3cncs3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834853 | 65781 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 479 | 6 | 2 | 7 | 4.2 | O=C(CNc1noc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3cncs3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
10196988 | 169441 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 628 | 10 | 4 | 6 | 4.8 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL442929 | 169441 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 628 | 10 | 4 | 6 | 4.8 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
57401954 | 68930 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922822 | 68930 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
57656854 | 75199 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 425 | 3 | 2 | 4 | 2.1 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C(=O)[C@H]2CN(C3CC3)CCN2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036781 | 75199 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 425 | 3 | 2 | 4 | 2.1 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C(=O)[C@H]2CN(C3CC3)CCN2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
22143255 | 187834 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 523 | 7 | 4 | 6 | 2.4 | CSc1ccc(C(=O)NC2CCN(C)CC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
CHEMBL496343 | 187834 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 523 | 7 | 4 | 6 | 2.4 | CSc1ccc(C(=O)NC2CCN(C)CC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
10323427 | 79731 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 493 | 8 | 2 | 4 | 5.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccsc1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL211775 | 79731 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 493 | 8 | 2 | 4 | 5.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccsc1 | 10.1016/j.bmcl.2008.01.023 | ||
145953765 | 161501 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 537 | 8 | 1 | 7 | 4.2 | CN(C1CCN(CCCn2ccc3c(Nc4ccc(Cl)c(Cl)c4)nccc3c2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
CHEMBL4128372 | 161501 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 537 | 8 | 1 | 7 | 4.2 | CN(C1CCN(CCCn2ccc3c(Nc4ccc(Cl)c(Cl)c4)nccc3c2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
44442587 | 93780 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 611 | 12 | 5 | 5 | 4.9 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NCc2ccccc2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL247608 | 93780 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 611 | 12 | 5 | 5 | 4.9 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NCc2ccccc2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
10323427 | 79731 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 493 | 8 | 2 | 4 | 5.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccsc1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL211775 | 79731 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 493 | 8 | 2 | 4 | 5.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccsc1 | 10.1016/j.bmcl.2008.01.023 | ||
10129343 | 173241 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 642 | 11 | 3 | 6 | 5.2 | CCN(CC)C(=O)Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@H]1CCCC[C@H]1CS(=O)(=O)c1ccc(SC)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL452509 | 173241 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 642 | 11 | 3 | 6 | 5.2 | CCN(CC)C(=O)Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@H]1CCCC[C@H]1CS(=O)(=O)c1ccc(SC)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
145962575 | 161444 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 567 | 9 | 1 | 6 | 4.7 | CCS(=O)(=O)N(C)C1CCN(CCCN2CCCc3c(ccnc3Nc3ccc(Cl)c(Cl)c3)C2=O)CC1 | 10.1016/j.bmc.2018.05.027 | ||
CHEMBL4127580 | 161444 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 567 | 9 | 1 | 6 | 4.7 | CCS(=O)(=O)N(C)C1CCN(CCCN2CCCc3c(ccnc3Nc3ccc(Cl)c(Cl)c3)C2=O)CC1 | 10.1016/j.bmc.2018.05.027 | ||
10268598 | 58845 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 334 | 2 | 3 | 5 | 2.7 | O=C(NC(=O)c1ccc2c(c1)OCO2)Nc1ccc(O)c(Cl)c1 | 10.1021/jm1012903 | ||
CHEMBL1688877 | 58845 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 334 | 2 | 3 | 5 | 2.7 | O=C(NC(=O)c1ccc2c(c1)OCO2)Nc1ccc(O)c(Cl)c1 | 10.1021/jm1012903 | ||
10436083 | 79848 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 501 | 8 | 2 | 3 | 5.5 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCCC1)c1ccccc1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL212306 | 79848 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 501 | 8 | 2 | 3 | 5.5 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCCC1)c1ccccc1 | 10.1016/j.bmcl.2008.01.023 | ||
44415880 | 169315 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 550 | 7 | 1 | 2 | 7.1 | C[C@H]1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CC2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | ||
CHEMBL441856 | 169315 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 550 | 7 | 1 | 2 | 7.1 | C[C@H]1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CC2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | ||
46241010 | 83555 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 540 | 8 | 3 | 7 | 3.3 | CC(C)Oc1ncc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)s1 | 10.1021/ml300260s | ||
CHEMBL2204266 | 83555 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 540 | 8 | 3 | 7 | 3.3 | CC(C)Oc1ncc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)s1 | 10.1021/ml300260s | ||
56643545 | 68931 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922823 | 68931 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
10281316 | 73693 | 0 | None | 2 | 3 | Mouse | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 565 | 13 | 6 | 5 | 3.6 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NCC | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018386 | 73693 | 0 | None | 2 | 3 | Mouse | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 565 | 13 | 6 | 5 | 3.6 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NCC | 10.1016/j.bmcl.2012.03.007 | ||
25154827 | 174560 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 494 | 6 | 2 | 4 | 4.3 | O=C(/C=C/c1cc(F)cc(F)c1)N1CCC([C@@H](CO)N2CCC(c3c[nH]c4ncccc34)CC2)CC1 | 10.1016/j.bmcl.2008.10.061 | ||
CHEMBL455683 | 174560 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 494 | 6 | 2 | 4 | 4.3 | O=C(/C=C/c1cc(F)cc(F)c1)N1CCC([C@@H](CO)N2CCC(c3c[nH]c4ncccc34)CC2)CC1 | 10.1016/j.bmcl.2008.10.061 | ||
56657930 | 65763 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 528 | 7 | 2 | 6 | 4.6 | CN(C)c1cccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)c1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834786 | 65763 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 528 | 7 | 2 | 6 | 4.6 | CN(C)c1cccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)c1 | 10.1016/j.bmcl.2011.08.074 | ||
44425643 | 86013 | 0 | None | 14 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 500 | 4 | 1 | 2 | 6.3 | C[C@H]1CN([C@@H]2CC[C@](C)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL230722 | 86013 | 0 | None | 14 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 500 | 4 | 1 | 2 | 6.3 | C[C@H]1CN([C@@H]2CC[C@](C)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
10120907 | 73695 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 577 | 12 | 5 | 5 | 3.7 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)N1CCC1 | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018388 | 73695 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 577 | 12 | 5 | 5 | 3.7 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)N1CCC1 | 10.1016/j.bmcl.2012.03.007 | ||
11227168 | 74521 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 596 | 6 | 2 | 9 | 3.6 | O=C(C1CCN(c2nccc(C(F)(F)F)n2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | ||
CHEMBL2029569 | 74521 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 596 | 6 | 2 | 9 | 3.6 | O=C(C1CCN(c2nccc(C(F)(F)F)n2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | ||
11527661 | 2008 | 30 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 520 | 7 | 3 | 6 | 2.9 | COc1ccc(cn1)C1(O)CCC(CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200030q | ||
9045 | 2008 | 30 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 520 | 7 | 3 | 6 | 2.9 | COc1ccc(cn1)C1(O)CCC(CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200030q | ||
CHEMBL1963131 | 2008 | 30 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 520 | 7 | 3 | 6 | 2.9 | COc1ccc(cn1)C1(O)CCC(CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200030q | ||
11527661 | 2008 | 30 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 520 | 7 | 3 | 6 | 2.9 | COc1ccc(cn1)C1(O)CCC(CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
9045 | 2008 | 30 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 520 | 7 | 3 | 6 | 2.9 | COc1ccc(cn1)C1(O)CCC(CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
CHEMBL1963131 | 2008 | 30 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 520 | 7 | 3 | 6 | 2.9 | COc1ccc(cn1)C1(O)CCC(CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
22143346 | 172627 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 634 | 11 | 4 | 6 | 4.5 | CCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCCC2)C1 | 10.1016/j.bmcl.2008.07.123 | ||
CHEMBL449672 | 172627 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 634 | 11 | 4 | 6 | 4.5 | CCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCCC2)C1 | 10.1016/j.bmcl.2008.07.123 | ||
11753466 | 77611 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 575 | 8 | 2 | 6 | 4.5 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)[C@H](CS(=O)(=O)c2ccc(C#N)cc2)C1 | 10.1016/j.bmcl.2012.08.002 | ||
CHEMBL2088380 | 77611 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 575 | 8 | 2 | 6 | 4.5 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)[C@H](CS(=O)(=O)c2ccc(C#N)cc2)C1 | 10.1016/j.bmcl.2012.08.002 | ||
51039119 | 176193 | 33 | None | -1 | 3 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 484 | 5 | 3 | 8 | 2.2 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3cc(C(C)(C)C)nn23)C1=O | 10.1021/acsmedchemlett.1c00373 | ||
CHEMBL4594419 | 176193 | 33 | None | -1 | 3 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 484 | 5 | 3 | 8 | 2.2 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3cc(C(C)(C)C)nn23)C1=O | 10.1021/acsmedchemlett.1c00373 | ||
24801526 | 97588 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 541 | 7 | 5 | 6 | 1.5 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@H]1CCCC[C@H]1NC(=O)c1ccc(S(N)(=O)=O)cc1 | 10.1021/jm701488f | ||
CHEMBL270959 | 97588 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 541 | 7 | 5 | 6 | 1.5 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@H]1CCCC[C@H]1NC(=O)c1ccc(S(N)(=O)=O)cc1 | 10.1021/jm701488f | ||
11330837 | 74522 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 596 | 6 | 2 | 9 | 3.6 | O=C(C1CCN(c2cc(C(F)(F)F)ncn2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | ||
CHEMBL2029570 | 74522 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 596 | 6 | 2 | 9 | 3.6 | O=C(C1CCN(c2cc(C(F)(F)F)ncn2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | ||
56671925 | 65719 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 481 | 7 | 2 | 7 | 2.9 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(C)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834640 | 65719 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 481 | 7 | 2 | 7 | 2.9 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(C)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
22725647 | 173675 | 0 | None | 52 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 347 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)c(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
CHEMBL4535696 | 173675 | 0 | None | 52 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 347 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)c(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
54582215 | 62530 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cncc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1782566 | 62530 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cncc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
10436083 | 79848 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 501 | 8 | 2 | 3 | 5.5 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCCC1)c1ccccc1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL212306 | 79848 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 501 | 8 | 2 | 3 | 5.5 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCCC1)c1ccccc1 | 10.1016/j.bmcl.2008.01.023 | ||
9858433 | 85049 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 324 | 4 | 2 | 3 | 3.8 | Fc1ccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)cc1 | 10.1016/j.bmc.2006.09.052 | ||
CHEMBL224509 | 85049 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 324 | 4 | 2 | 3 | 3.8 | Fc1ccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)cc1 | 10.1016/j.bmc.2006.09.052 | ||
127025091 | 138185 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 424 | 3 | 2 | 7 | 1.2 | COc1sc(NC(=O)N2CCN(C(=O)[C@H]3CN(C(C)(C)C)CCN3)CC2)nc1C | 10.1039/C5MD00362H | ||
CHEMBL3769934 | 138185 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 424 | 3 | 2 | 7 | 1.2 | COc1sc(NC(=O)N2CCN(C(=O)[C@H]3CN(C(C)(C)C)CCN3)CC2)nc1C | 10.1039/C5MD00362H | ||
22143305 | 183588 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 506 | 9 | 3 | 5 | 3.2 | COc1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
CHEMBL480228 | 183588 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 506 | 9 | 3 | 5 | 3.2 | COc1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
44425306 | 142344 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 612 | 9 | 2 | 5 | 6.8 | CC(=O)Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL388949 | 142344 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 612 | 9 | 2 | 5 | 6.8 | CC(=O)Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
44453592 | 160031 | 24 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 405 | 6 | 2 | 3 | 2.8 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccccc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL410829 | 160031 | 24 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 405 | 6 | 2 | 3 | 2.8 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccccc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
44453565 | 168983 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 439 | 6 | 2 | 3 | 3.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccccc2Cl)C1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL439252 | 168983 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 439 | 6 | 2 | 3 | 3.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccccc2Cl)C1 | 10.1016/j.bmcl.2008.02.015 | ||
49764447 | 65392 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 475 | 6 | 3 | 4 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccc(O)cc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
CHEMBL1829613 | 65392 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 475 | 6 | 3 | 4 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccc(O)cc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
24801525 | 97581 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 526 | 7 | 4 | 5 | 1.9 | NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1021/jm701488f | ||
CHEMBL270906 | 97581 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 526 | 7 | 4 | 5 | 1.9 | NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1021/jm701488f | ||
11598084 | 75175 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 474 | 6 | 1 | 3 | 5.1 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCCN(CCc3ccccc3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036755 | 75175 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 474 | 6 | 1 | 3 | 5.1 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCCN(CCc3ccccc3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
57656641 | 75193 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 414 | 4 | 1 | 4 | 3.3 | CC(C)N1CCO[C@@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036775 | 75193 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 414 | 4 | 1 | 4 | 3.3 | CC(C)N1CCO[C@@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
44425306 | 142344 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 612 | 9 | 2 | 5 | 6.8 | CC(=O)Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL388949 | 142344 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 612 | 9 | 2 | 5 | 6.8 | CC(=O)Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
57656749 | 75181 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 444 | 4 | 1 | 3 | 4.4 | O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036761 | 75181 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 444 | 4 | 1 | 3 | 4.4 | O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
44413147 | 139688 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 453 | 8 | 2 | 4 | 4.3 | CN(C)CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccsc1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL379818 | 139688 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 453 | 8 | 2 | 4 | 4.3 | CN(C)CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccsc1 | 10.1016/j.bmcl.2008.01.023 | ||
44413147 | 139688 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 453 | 8 | 2 | 4 | 4.3 | CN(C)CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccsc1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL379818 | 139688 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 453 | 8 | 2 | 4 | 4.3 | CN(C)CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccsc1 | 10.1016/j.bmcl.2008.01.023 | ||
46241718 | 83542 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 546 | 8 | 3 | 6 | 3.4 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3ccc(OC4CCC4)nc3)CC2)C1 | 10.1021/ml300260s | ||
CHEMBL2204253 | 83542 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 546 | 8 | 3 | 6 | 3.4 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3ccc(OC4CCC4)nc3)CC2)C1 | 10.1021/ml300260s | ||
44453471 | 97842 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 470 | 7 | 3 | 5 | 2.9 | Nc1ccc(OC(F)(F)F)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL272283 | 97842 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 470 | 7 | 3 | 5 | 2.9 | Nc1ccc(OC(F)(F)F)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
44453562 | 155630 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 431 | 7 | 3 | 6 | 2.0 | Nc1ccc([N+](=O)[O-])cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL404837 | 155630 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 431 | 7 | 3 | 6 | 2.0 | Nc1ccc([N+](=O)[O-])cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
10312346 | 188438 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 614 | 9 | 3 | 6 | 4.4 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N(C)C)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL502795 | 188438 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 614 | 9 | 3 | 6 | 4.4 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N(C)C)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
54581190 | 62532 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cncc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1782568 | 62532 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cncc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
70696470 | 75189 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 367 | 4 | 1 | 4 | 2.6 | N#Cc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C4CC4)C3)CC2)cc1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036769 | 75189 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 367 | 4 | 1 | 4 | 2.6 | N#Cc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C4CC4)C3)CC2)cc1 | 10.1016/j.bmcl.2012.04.118 | ||
46241608 | 83540 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 534 | 8 | 3 | 6 | 3.2 | CC(C)Oc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml300260s | ||
CHEMBL2204251 | 83540 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 534 | 8 | 3 | 6 | 3.2 | CC(C)Oc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml300260s | ||
11756884 | 19057 | 0 | None | -25 | 2 | Mouse | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 533 | 8 | 3 | 5 | 3.5 | CCO[C@H]1CN([C@H]2CC[C@@](O)(c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
CHEMBL1289083 | 19057 | 0 | None | -25 | 2 | Mouse | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 533 | 8 | 3 | 5 | 3.5 | CCO[C@H]1CN([C@H]2CC[C@@](O)(c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
508729 | 95506 | 1 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 416 | 7 | 2 | 5 | 2.4 | O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL257510 | 95506 | 1 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 416 | 7 | 2 | 5 | 2.4 | O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
145963612 | 161415 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 448 | 6 | 1 | 5 | 4.2 | O=C1c2ccnc(Nc3ccc(Cl)c(Cl)c3)c2CCCN1CCCN1CCOCC1 | 10.1016/j.bmc.2018.05.027 | ||
CHEMBL4127249 | 161415 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 448 | 6 | 1 | 5 | 4.2 | O=C1c2ccnc(Nc3ccc(Cl)c(Cl)c3)c2CCCN1CCCN1CCOCC1 | 10.1016/j.bmc.2018.05.027 | ||
54582216 | 62535 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 500 | 6 | 1 | 8 | 2.1 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3nncc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1782571 | 62535 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 500 | 6 | 1 | 8 | 2.1 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3nncc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
54583186 | 62542 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 496 | 6 | 1 | 5 | 4.3 | CCC1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1782578 | 62542 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 496 | 6 | 1 | 5 | 4.3 | CCC1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
122181151 | 121813 | 0 | None | 7 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 622 | 7 | 1 | 3 | 7.6 | CC1Cc2ccccc2C2(CCN(CCC(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ccc(F)cc3)CC2)O1 | 10.1016/j.bmc.2015.02.019 | ||
CHEMBL3589846 | 121813 | 0 | None | 7 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 622 | 7 | 1 | 3 | 7.6 | CC1Cc2ccccc2C2(CCN(CCC(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ccc(F)cc3)CC2)O1 | 10.1016/j.bmc.2015.02.019 | ||
54754722 | 65722 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 439 | 6 | 3 | 6 | 2.4 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](CO)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834643 | 65722 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 439 | 6 | 3 | 6 | 2.4 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](CO)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
44453171 | 95708 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 449 | 6 | 2 | 3 | 3.2 | O=C(CNC(=O)c1cccc(Br)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL258364 | 95708 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 449 | 6 | 2 | 3 | 3.2 | O=C(CNC(=O)c1cccc(Br)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
57344221 | 68928 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 568 | 8 | 3 | 4 | 5.5 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc(OC(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922819 | 68928 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 568 | 8 | 3 | 4 | 5.5 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc(OC(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
145955877 | 161380 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 503 | 8 | 1 | 6 | 3.1 | CN(C1CCN(CCCN2CCCc3c(ccnc3Nc3cccc(F)c3)C2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
CHEMBL4126634 | 161380 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 503 | 8 | 1 | 6 | 3.1 | CN(C1CCN(CCCN2CCCc3c(ccnc3Nc3cccc(F)c3)C2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
22143334 | 187784 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 509 | 8 | 4 | 6 | 2.7 | CSc1ccc(CNC2CCN(C)CC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
CHEMBL495924 | 187784 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 509 | 8 | 4 | 6 | 2.7 | CSc1ccc(CNC2CCN(C)CC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
10209478 | 73692 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 551 | 12 | 6 | 5 | 3.2 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018385 | 73692 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 551 | 12 | 6 | 5 | 3.2 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC | 10.1016/j.bmcl.2012.03.007 | ||
11591776 | 145461 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 525 | 6 | 2 | 3 | 5.2 | O=C(O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL391459 | 145461 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 525 | 6 | 2 | 3 | 5.2 | O=C(O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
10239991 | 188423 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 585 | 10 | 3 | 6 | 4.3 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](NC(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL502516 | 188423 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 585 | 10 | 3 | 6 | 4.3 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](NC(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
44593555 | 188760 | 0 | None | 2 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 642 | 10 | 4 | 6 | 4.9 | CSc1ccc(C(=O)NC2CC(NC(=O)OCc3ccccc3)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
CHEMBL505722 | 188760 | 0 | None | 2 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 642 | 10 | 4 | 6 | 4.9 | CSc1ccc(C(=O)NC2CC(NC(=O)OCc3ccccc3)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
44453408 | 95409 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 436 | 6 | 4 | 5 | 2.1 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(O)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL257064 | 95409 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 436 | 6 | 4 | 5 | 2.1 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(O)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
44573608 | 187527 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 522 | 8 | 2 | 3 | 6.3 | CCCC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | ||
CHEMBL494540 | 187527 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 522 | 8 | 2 | 3 | 6.3 | CCCC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | ||
10167417 | 73696 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 591 | 12 | 5 | 5 | 4.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)N1CCCC1 | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018389 | 73696 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 591 | 12 | 5 | 5 | 4.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)N1CCCC1 | 10.1016/j.bmcl.2012.03.007 | ||
44453440 | 97660 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 448 | 7 | 3 | 4 | 3.0 | CCc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL271288 | 97660 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 448 | 7 | 3 | 4 | 3.0 | CCc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
44425293 | 153440 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 636 | 8 | 2 | 5 | 7.0 | CC(=O)Nc1nc([C@H](CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
CHEMBL397948 | 153440 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 636 | 8 | 2 | 5 | 7.0 | CC(=O)Nc1nc([C@H](CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
22143155 | 188038 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 537 | 10 | 4 | 6 | 3.5 | CCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C1 | 10.1016/j.bmcl.2008.07.123 | ||
CHEMBL497788 | 188038 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 537 | 10 | 4 | 6 | 3.5 | CCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C1 | 10.1016/j.bmcl.2008.07.123 | ||
11330529 | 74511 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 567 | 7 | 3 | 6 | 3.9 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4cccnc4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
CHEMBL2029418 | 74511 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 567 | 7 | 3 | 6 | 3.9 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4cccnc4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
22143146 | 183882 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 490 | 8 | 3 | 4 | 3.5 | Cc1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
CHEMBL481202 | 183882 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 490 | 8 | 3 | 4 | 3.5 | Cc1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
44453298 | 155215 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 421 | 6 | 3 | 4 | 2.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(O)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL402723 | 155215 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 421 | 6 | 3 | 4 | 2.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(O)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
57396999 | 70989 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 504 | 6 | 3 | 5 | 3.2 | Cc1ccc([C@]2(O)CC[C@H](N3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml200030q | ||
CHEMBL1951777 | 70989 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 504 | 6 | 3 | 5 | 3.2 | Cc1ccc([C@]2(O)CC[C@H](N3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml200030q | ||
11192943 | 77595 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 628 | 8 | 2 | 5 | 5.4 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)[C@H](CS(=O)(=O)c2ccc(Br)cc2)C1 | 10.1016/j.bmcl.2012.08.002 | ||
CHEMBL2088212 | 77595 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 628 | 8 | 2 | 5 | 5.4 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)[C@H](CS(=O)(=O)c2ccc(Br)cc2)C1 | 10.1016/j.bmcl.2012.08.002 | ||
53322809 | 58427 | 0 | None | 13 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 481 | 5 | 1 | 4 | 4.6 | CC(C)[C@]1(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC[C@@H](N[C@@H]2CCOC[C@@H]2C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
CHEMBL1683060 | 58427 | 0 | None | 13 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 481 | 5 | 1 | 4 | 4.6 | CC(C)[C@]1(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC[C@@H](N[C@@H]2CCOC[C@@H]2C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
57391765 | 70986 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3cccnn3)CC2)C1 | 10.1021/ml200030q | ||
CHEMBL1951774 | 70986 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3cccnn3)CC2)C1 | 10.1021/ml200030q | ||
69035439 | 77619 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 576 | 7 | 1 | 5 | 5.2 | CC(C)N(C)[C@@H]1CC[C@H](N2CCC(c3nc4cccc(C(F)(F)F)c4[nH]3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2012.08.002 | ||
CHEMBL2088388 | 77619 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 576 | 7 | 1 | 5 | 5.2 | CC(C)N(C)[C@@H]1CC[C@H](N2CCC(c3nc4cccc(C(F)(F)F)c4[nH]3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2012.08.002 | ||
57656833 | 75200 | 0 | None | 4 | 4 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 427 | 3 | 2 | 4 | 2.4 | CC(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036782 | 75200 | 0 | None | 4 | 4 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 427 | 3 | 2 | 4 | 2.4 | CC(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
10323427 | 79731 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 493 | 8 | 2 | 4 | 5.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccsc1 | 10.1016/j.bmcl.2006.04.045 | ||
CHEMBL211775 | 79731 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 493 | 8 | 2 | 4 | 5.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccsc1 | 10.1016/j.bmcl.2006.04.045 | ||
57400160 | 68896 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 539 | 7 | 3 | 3 | 5.6 | O=C(O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922783 | 68896 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 539 | 7 | 3 | 3 | 5.6 | O=C(O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
54584109 | 62517 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 509 | 5 | 1 | 6 | 3.7 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)cnn3)CC2)CC[C@@H](NC2C3CCCC2COC3)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1782379 | 62517 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 509 | 5 | 1 | 6 | 3.7 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)cnn3)CC2)CC[C@@H](NC2C3CCCC2COC3)C1 | 10.1016/j.bmcl.2011.01.034 | ||
44421868 | 85129 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 296 | 4 | 2 | 4 | 3.2 | c1coc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1 | 10.1016/j.bmc.2006.09.052 | ||
CHEMBL225167 | 85129 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 296 | 4 | 2 | 4 | 3.2 | c1coc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1 | 10.1016/j.bmc.2006.09.052 | ||
21098480 | 144118 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 326 | 4 | 2 | 3 | 3.9 | Clc1cccc(CN2CCC(Nc3ccc4[nH]ncc4c3)C2)c1 | 10.1016/j.bmc.2006.09.052 | ||
CHEMBL390389 | 144118 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 326 | 4 | 2 | 3 | 3.9 | Clc1cccc(CN2CCC(Nc3ccc4[nH]ncc4c3)C2)c1 | 10.1016/j.bmc.2006.09.052 | ||
145962604 | 161503 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 541 | 8 | 1 | 6 | 4.3 | CN(C1CCN(CCCN2CCCc3c(ccnc3Nc3ccc(C(C)(C)C)cc3)C2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
CHEMBL4128399 | 161503 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 541 | 8 | 1 | 6 | 4.3 | CN(C1CCN(CCCN2CCCc3c(ccnc3Nc3ccc(C(C)(C)C)cc3)C2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
11180383 | 77594 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 550 | 8 | 2 | 5 | 4.6 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2012.08.002 | ||
CHEMBL2088211 | 77594 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 550 | 8 | 2 | 5 | 4.6 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2012.08.002 | ||
22143200 | 187741 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 480 | 8 | 4 | 5 | 2.8 | CSc1ccc(CNC2CCNCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
CHEMBL495718 | 187741 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 480 | 8 | 4 | 5 | 2.8 | CSc1ccc(CNC2CCNCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
44442586 | 93782 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 521 | 9 | 5 | 5 | 2.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(N)cc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL247621 | 93782 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 521 | 9 | 5 | 5 | 2.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(N)cc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
10164316 | 154768 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 506 | 9 | 4 | 4 | 3.2 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL400196 | 154768 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 506 | 9 | 4 | 4 | 3.2 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
56667036 | 65397 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 460 | 6 | 2 | 4 | 3.4 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3cccnc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
CHEMBL1829618 | 65397 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 460 | 6 | 2 | 4 | 3.4 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3cccnc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
56677288 | 65413 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 517 | 6 | 3 | 5 | 3.0 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@](O)(c3ccc4c(c3)OCC4)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
CHEMBL1829634 | 65413 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 517 | 6 | 3 | 5 | 3.0 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@](O)(c3ccc4c(c3)OCC4)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
11409228 | 74505 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 490 | 6 | 3 | 5 | 2.9 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccccn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
CHEMBL2029412 | 74505 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 490 | 6 | 3 | 5 | 2.9 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccccn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
46842084 | 7883 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 544 | 8 | 2 | 4 | 3.9 | Cc1ccccc1C(=O)N1CCC(CCN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1 | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL1090206 | 7883 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 544 | 8 | 2 | 4 | 3.9 | Cc1ccccc1C(=O)N1CCC(CCN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1 | 10.1016/j.bmcl.2010.02.072 | ||
57396722 | 68915 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 536 | 4 | 3 | 3 | 5.0 | O=C1NC2(CCC(c3c[nH]c4ccccc34)CC2)NC1C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922801 | 68915 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 536 | 4 | 3 | 3 | 5.0 | O=C1NC2(CCC(c3c[nH]c4ccccc34)CC2)NC1C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
11721085 | 166835 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 565 | 13 | 2 | 5 | 7.4 | CCN(CC)CCCC(C)NC(=O)CCNc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
CHEMBL428559 | 166835 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 565 | 13 | 2 | 5 | 7.4 | CCN(CC)CCCC(C)NC(=O)CCNc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
44353447 | 3746 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | ||
785 | 3746 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | ||
CHEMBL337246 | 3746 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | ||
46927116 | 65407 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 475 | 6 | 3 | 4 | 3.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@](O)(c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
CHEMBL1829628 | 65407 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 475 | 6 | 3 | 4 | 3.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@](O)(c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
57656871 | 75198 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 413 | 3 | 2 | 4 | 2.0 | CCN1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036780 | 75198 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 413 | 3 | 2 | 4 | 2.0 | CCN1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
145962608 | 161509 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 486 | 8 | 1 | 7 | 2.4 | CN(C1CCN(CCCN2CCCc3c(ccnc3Nc3ccccn3)C2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
CHEMBL4128514 | 161509 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 486 | 8 | 1 | 7 | 2.4 | CN(C1CCN(CCCN2CCCc3c(ccnc3Nc3ccccn3)C2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
46241509 | 83533 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 506 | 7 | 3 | 6 | 2.5 | COc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml300260s | ||
CHEMBL2204244 | 83533 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 506 | 7 | 3 | 6 | 2.5 | COc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml300260s | ||
44423283 | 85278 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 536 | 4 | 1 | 2 | 6.8 | C[C@H]1CN([C@@H]2CC[C@H](C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@@]12C=Cc1ccccc12 | 10.1021/jm070166b | ||
CHEMBL226065 | 85278 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 536 | 4 | 1 | 2 | 6.8 | C[C@H]1CN([C@@H]2CC[C@H](C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@@]12C=Cc1ccccc12 | 10.1021/jm070166b | ||
44442587 | 93780 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 611 | 12 | 5 | 5 | 4.9 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NCc2ccccc2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL247608 | 93780 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 611 | 12 | 5 | 5 | 4.9 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NCc2ccccc2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
46944855 | 65404 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 476 | 6 | 3 | 5 | 3.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccncc3O)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
CHEMBL1829625 | 65404 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 476 | 6 | 3 | 5 | 3.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccncc3O)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
44416273 | 138916 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 496 | 6 | 1 | 2 | 6.2 | O=C(CCCN1CCC2(C=Cc3ccccc32)CC1)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL378449 | 138916 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 496 | 6 | 1 | 2 | 6.2 | O=C(CCCN1CCC2(C=Cc3ccccc32)CC1)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2008.01.023 | ||
44416273 | 138916 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 496 | 6 | 1 | 2 | 6.2 | O=C(CCCN1CCC2(C=Cc3ccccc32)CC1)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL378449 | 138916 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 496 | 6 | 1 | 2 | 6.2 | O=C(CCCN1CCC2(C=Cc3ccccc32)CC1)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2008.01.023 | ||
57656938 | 75186 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 410 | 4 | 1 | 3 | 3.7 | O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036766 | 75186 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 410 | 4 | 1 | 3 | 3.7 | O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
44442590 | 93743 | 0 | None | 169 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 606 | 11 | 6 | 5 | 3.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL247455 | 93743 | 0 | None | 169 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 606 | 11 | 6 | 5 | 3.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
44442593 | 147175 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 549 | 11 | 5 | 5 | 3.7 | CCNc1cc(C(=O)NCC(=O)N[C@@H](CNCc2ccc(C)cc2C)C(=O)NC(C)(C)C)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL392814 | 147175 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 549 | 11 | 5 | 5 | 3.7 | CCNc1cc(C(=O)NCC(=O)N[C@@H](CNCc2ccc(C)cc2C)C(=O)NC(C)(C)C)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | ||
11647276 | 75178 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 412 | 4 | 1 | 3 | 4.3 | CC(C)N1CCC[C@@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036758 | 75178 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 412 | 4 | 1 | 3 | 4.3 | CC(C)N1CCC[C@@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
70681778 | 75188 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 367 | 4 | 1 | 4 | 2.6 | N#Cc1cccc(NC(=O)N2CCN(C[C@@H]3CCCN(C4CC4)C3)CC2)c1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036768 | 75188 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 367 | 4 | 1 | 4 | 2.6 | N#Cc1cccc(NC(=O)N2CCN(C[C@@H]3CCCN(C4CC4)C3)CC2)c1 | 10.1016/j.bmcl.2012.04.118 | ||
11690139 | 75196 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 412 | 3 | 1 | 3 | 3.4 | CCN1CCC[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036778 | 75196 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 412 | 3 | 1 | 3 | 3.4 | CCN1CCC[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
57656719 | 75187 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 410 | 4 | 1 | 3 | 3.7 | O=C(Nc1ccc(C(F)(F)F)cc1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036767 | 75187 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 410 | 4 | 1 | 3 | 3.7 | O=C(Nc1ccc(C(F)(F)F)cc1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
56643545 | 68931 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922823 | 68931 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
44580591 | 187835 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 551 | 9 | 4 | 6 | 3.1 | CCCN1CCC(NC(=O)c2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(N)cc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2008.07.123 | ||
CHEMBL496344 | 187835 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 551 | 9 | 4 | 6 | 3.1 | CCCN1CCC(NC(=O)c2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(N)cc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2008.07.123 | ||
44571218 | 183854 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 523 | 7 | 5 | 6 | 2.5 | CSc1ccc(C(=O)NC2CC(N)CCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
CHEMBL481009 | 183854 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 523 | 7 | 5 | 6 | 2.5 | CSc1ccc(C(=O)NC2CC(N)CCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
22143258 | 183855 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 522 | 9 | 3 | 5 | 3.9 | CSc1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
CHEMBL481010 | 183855 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 522 | 9 | 3 | 5 | 3.9 | CSc1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
11584094 | 188908 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 494 | 6 | 2 | 4 | 4.3 | O=C(/C=C/c1cc(F)cc(F)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ncccc34)CC2)CC1 | 10.1016/j.bmcl.2008.10.061 | ||
CHEMBL508015 | 188908 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 494 | 6 | 2 | 4 | 4.3 | O=C(/C=C/c1cc(F)cc(F)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ncccc34)CC2)CC1 | 10.1016/j.bmcl.2008.10.061 | ||
11613399 | 188921 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 526 | 6 | 2 | 4 | 5.4 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ncccc34)CC2)CC1 | 10.1016/j.bmcl.2008.10.061 | ||
CHEMBL508073 | 188921 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 526 | 6 | 2 | 4 | 5.4 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ncccc34)CC2)CC1 | 10.1016/j.bmcl.2008.10.061 | ||
11527661 | 2008 | 30 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 520 | 7 | 3 | 6 | 2.9 | COc1ccc(cn1)C1(O)CCC(CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200030q | ||
9045 | 2008 | 30 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 520 | 7 | 3 | 6 | 2.9 | COc1ccc(cn1)C1(O)CCC(CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200030q | ||
CHEMBL1963131 | 2008 | 30 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 520 | 7 | 3 | 6 | 2.9 | COc1ccc(cn1)C1(O)CCC(CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200030q | ||
11353843 | 74518 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 594 | 6 | 2 | 7 | 4.8 | O=C(C1CCN(c2cccc(C(F)(F)F)c2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | ||
CHEMBL2029566 | 74518 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 594 | 6 | 2 | 7 | 4.8 | O=C(C1CCN(c2cccc(C(F)(F)F)c2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | ||
44453329 | 155327 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 431 | 7 | 2 | 3 | 3.5 | C=Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL403281 | 155327 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 431 | 7 | 2 | 3 | 3.5 | C=Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
53325639 | 58440 | 0 | None | 1 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
CHEMBL1683073 | 58440 | 0 | None | 1 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
54583111 | 62515 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 512 | 6 | 0 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1782377 | 62515 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 512 | 6 | 0 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
44583281 | 188211 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 626 | 9 | 3 | 6 | 4.5 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCC2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL499467 | 188211 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 626 | 9 | 3 | 6 | 4.5 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCC2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
11421712 | 74514 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4cnccn4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
CHEMBL2029421 | 74514 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4cnccn4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
50925394 | 19296 | 0 | None | 2 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 517 | 8 | 2 | 4 | 4.4 | CCO[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
CHEMBL1290636 | 19296 | 0 | None | 2 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 517 | 8 | 2 | 4 | 4.4 | CCO[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
53324304 | 58434 | 0 | None | 3 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 497 | 6 | 1 | 5 | 3.9 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
CHEMBL1683067 | 58434 | 0 | None | 3 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 497 | 6 | 1 | 5 | 3.9 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
46240484 | 83550 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 496 | 6 | 3 | 6 | 2.8 | Cc1cnc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)s1 | 10.1021/ml300260s | ||
CHEMBL2204261 | 83550 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 496 | 6 | 3 | 6 | 2.8 | Cc1cnc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)s1 | 10.1021/ml300260s | ||
57394969 | 68911 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 499 | 7 | 2 | 3 | 4.5 | NC(=O)C(NC1CCC(c2ccccc2)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922798 | 68911 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 499 | 7 | 2 | 3 | 4.5 | NC(=O)C(NC1CCC(c2ccccc2)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
44421888 | 85164 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 307 | 4 | 1 | 3 | 3.6 | c1ccc(CN2CCC(Oc3ccc4[nH]ncc4c3)CC2)cc1 | 10.1016/j.bmc.2006.09.052 | ||
CHEMBL225434 | 85164 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 307 | 4 | 1 | 3 | 3.6 | c1ccc(CN2CCC(Oc3ccc4[nH]ncc4c3)CC2)cc1 | 10.1016/j.bmc.2006.09.052 | ||
44421862 | 136355 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 312 | 4 | 2 | 4 | 3.7 | c1csc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1 | 10.1016/j.bmc.2006.09.052 | ||
CHEMBL373512 | 136355 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 312 | 4 | 2 | 4 | 3.7 | c1csc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1 | 10.1016/j.bmc.2006.09.052 | ||
145961982 | 161508 | 0 | None | 10 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 553 | 8 | 1 | 6 | 4.3 | CN(C1CCN(CCCN2CCCc3c(ccnc3Nc3ccc(Cl)c(Cl)c3)C2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
CHEMBL4128498 | 161508 | 0 | None | 10 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 553 | 8 | 1 | 6 | 4.3 | CN(C1CCN(CCCN2CCCc3c(ccnc3Nc3ccc(Cl)c(Cl)c3)C2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
122181237 | 121826 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 574 | 7 | 2 | 4 | 6.0 | O=C(NCc1cc(F)cc(C(F)(F)F)c1)C(CCN1CCC2(CC1)OCCc1cc(O)ccc12)c1ccc(F)cc1 | 10.1016/j.bmc.2015.02.019 | ||
CHEMBL3589951 | 121826 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 574 | 7 | 2 | 4 | 6.0 | O=C(NCc1cc(F)cc(C(F)(F)F)c1)C(CCN1CCC2(CC1)OCCc1cc(O)ccc12)c1ccc(F)cc1 | 10.1016/j.bmc.2015.02.019 | ||
46842232 | 7850 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 544 | 8 | 2 | 4 | 3.9 | Cc1ccc(C(=O)N2CCC(CCN3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL1089965 | 7850 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 544 | 8 | 2 | 4 | 3.9 | Cc1ccc(C(=O)N2CCC(CCN3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2010.02.072 | ||
11567495 | 75170 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 398 | 4 | 1 | 3 | 3.9 | CCN1CCCC(CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036750 | 75170 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 398 | 4 | 1 | 3 | 3.9 | CCN1CCCC(CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
24801526 | 97588 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 541 | 7 | 5 | 6 | 1.5 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@H]1CCCC[C@H]1NC(=O)c1ccc(S(N)(=O)=O)cc1 | 10.1021/jm701488f | ||
CHEMBL270959 | 97588 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 541 | 7 | 5 | 6 | 1.5 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@H]1CCCC[C@H]1NC(=O)c1ccc(S(N)(=O)=O)cc1 | 10.1021/jm701488f | ||
145953762 | 161410 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 539 | 8 | 1 | 6 | 3.9 | CN(C1CCN(CCCN2CCc3c(ccnc3Nc3ccc(Cl)c(Cl)c3)C2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
CHEMBL4127135 | 161410 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 539 | 8 | 1 | 6 | 3.9 | CN(C1CCN(CCCN2CCc3c(ccnc3Nc3ccc(Cl)c(Cl)c3)C2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
10240278 | 172873 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 654 | 10 | 4 | 6 | 5.4 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC2CCCC2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL451597 | 172873 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 654 | 10 | 4 | 6 | 5.4 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC2CCCC2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
57344298 | 68923 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 502 | 7 | 3 | 3 | 4.7 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922814 | 68923 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 502 | 7 | 3 | 3 | 4.7 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
44453409 | 95410 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 419 | 6 | 2 | 3 | 3.1 | Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL257065 | 95410 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 419 | 6 | 2 | 3 | 3.1 | Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
57656715 | 75177 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 410 | 4 | 1 | 3 | 4.0 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036757 | 75177 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 410 | 4 | 1 | 3 | 4.0 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
57344315 | 68912 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 530 | 8 | 2 | 5 | 3.9 | COc1ccc(C2CCC(NC(C(N)=O)C3CCN(C(=O)/C=C/c4cc(F)c(F)c(F)c4)CC3)CC2)cn1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922799 | 68912 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 530 | 8 | 2 | 5 | 3.9 | COc1ccc(C2CCC(NC(C(N)=O)C3CCN(C(=O)/C=C/c4cc(F)c(F)c(F)c4)CC3)CC2)cn1 | 10.1016/j.bmcl.2011.09.113 | ||
44447436 | 154668 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 512 | 9 | 1 | 2 | 6.8 | C=CCC(CCN1CCC(c2ccccc2)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL399717 | 154668 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 512 | 9 | 1 | 2 | 6.8 | C=CCC(CCN1CCC(c2ccccc2)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2008.01.023 | ||
44447436 | 154668 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 512 | 9 | 1 | 2 | 6.8 | C=CCC(CCN1CCC(c2ccccc2)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL399717 | 154668 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 512 | 9 | 1 | 2 | 6.8 | C=CCC(CCN1CCC(c2ccccc2)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2008.01.023 | ||
46240785 | 83553 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 510 | 7 | 3 | 6 | 3.1 | CCc1ncc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)s1 | 10.1021/ml300260s | ||
CHEMBL2204264 | 83553 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 510 | 7 | 3 | 6 | 3.1 | CCc1ncc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)s1 | 10.1021/ml300260s | ||
23630215 | 62514 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 508 | 5 | 1 | 5 | 4.3 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](NC2C3CCCC2COC3)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1782376 | 62514 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 508 | 5 | 1 | 5 | 4.3 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](NC2C3CCCC2COC3)C1 | 10.1016/j.bmcl.2011.01.034 | ||
54754724 | 65724 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 479 | 9 | 2 | 6 | 3.6 | C=CCOC[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(C)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834645 | 65724 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 479 | 9 | 2 | 6 | 3.6 | C=CCOC[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(C)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
54580190 | 62541 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 512 | 7 | 1 | 6 | 3.7 | CCO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1782577 | 62541 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 512 | 7 | 1 | 6 | 3.7 | CCO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
46842235 | 7804 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 598 | 8 | 2 | 4 | 4.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL1089629 | 7804 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 598 | 8 | 2 | 4 | 4.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
49764322 | 65411 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 505 | 7 | 3 | 5 | 3.1 | COc1ccc([C@]2(O)CC[C@@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2011.06.080 | ||
CHEMBL1829632 | 65411 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 505 | 7 | 3 | 5 | 3.1 | COc1ccc([C@]2(O)CC[C@@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2011.06.080 | ||
11365166 | 74515 | 1 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 573 | 7 | 3 | 7 | 4.0 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4nccs4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
CHEMBL2029423 | 74515 | 1 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 573 | 7 | 3 | 7 | 4.0 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4nccs4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
135981707 | 65760 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 556 | 8 | 2 | 6 | 4.3 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNC3=NC(Cc4ccccc4)c4ccc(C(F)(F)F)cc43)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834783 | 65760 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 556 | 8 | 2 | 6 | 4.3 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNC3=NC(Cc4ccccc4)c4ccc(C(F)(F)F)cc43)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
44425654 | 86201 | 0 | None | 2 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 532 | 5 | 1 | 3 | 6.4 | CS[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL231247 | 86201 | 0 | None | 2 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 532 | 5 | 1 | 3 | 6.4 | CS[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
44425654 | 86201 | 0 | None | 2 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 532 | 5 | 1 | 3 | 6.4 | CS[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL231247 | 86201 | 0 | None | 2 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 532 | 5 | 1 | 3 | 6.4 | CS[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
57344316 | 68905 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 554 | 7 | 4 | 4 | 5.0 | O=C(NO)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922792 | 68905 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 554 | 7 | 4 | 4 | 5.0 | O=C(NO)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
46240687 | 83556 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 528 | 7 | 3 | 7 | 3.2 | CSc1ncc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)s1 | 10.1021/ml300260s | ||
CHEMBL2204267 | 83556 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 528 | 7 | 3 | 7 | 3.2 | CSc1ncc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)s1 | 10.1021/ml300260s | ||
44439166 | 90517 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 595 | 12 | 5 | 7 | 4.7 | COC(=O)[C@H](CCCNC(=N)N)NC(=O)CCNc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
CHEMBL238731 | 90517 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 595 | 12 | 5 | 7 | 4.7 | COC(=O)[C@H](CCCNC(=N)N)NC(=O)CCNc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
122181144 | 121806 | 0 | None | 35 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 514 | 6 | 1 | 3 | 5.7 | O=C(CCCN1CCC2(CC1)OCCc1ccccc12)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmc.2015.02.019 | ||
CHEMBL3589839 | 121806 | 0 | None | 35 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 514 | 6 | 1 | 3 | 5.7 | O=C(CCCN1CCC2(CC1)OCCc1ccccc12)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmc.2015.02.019 | ||
10182382 | 93933 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 450 | 9 | 4 | 4 | 1.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(N)=O)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL248418 | 93933 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 450 | 9 | 4 | 4 | 1.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(N)=O)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
22143293 | 188003 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 495 | 8 | 5 | 6 | 2.4 | CSc1ccc(CNC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
CHEMBL497577 | 188003 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 495 | 8 | 5 | 6 | 2.4 | CSc1ccc(CNC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
44583282 | 172671 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 656 | 9 | 3 | 7 | 4.2 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCOCC2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL450231 | 172671 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 656 | 9 | 3 | 7 | 4.2 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCOCC2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
22143241 | 183226 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 510 | 8 | 3 | 4 | 3.8 | CN(C)C1CCC(NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(NCc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.12.062 | ||
CHEMBL479642 | 183226 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 510 | 8 | 3 | 4 | 3.8 | CN(C)C1CCC(NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(NCc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.12.062 | ||
56643545 | 68931 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922823 | 68931 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
11591595 | 186133 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 512 | 6 | 2 | 4 | 4.5 | O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ncccc34)CC2)CC1 | 10.1016/j.bmcl.2008.10.061 | ||
CHEMBL487238 | 186133 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 512 | 6 | 2 | 4 | 4.5 | O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ncccc34)CC2)CC1 | 10.1016/j.bmcl.2008.10.061 | ||
54755560 | 65749 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 495 | 8 | 2 | 7 | 3.4 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(CC)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834721 | 65749 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 495 | 8 | 2 | 7 | 3.4 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(CC)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
56661451 | 65768 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 500 | 6 | 2 | 6 | 4.2 | Cc1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834791 | 65768 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 500 | 6 | 2 | 6 | 4.2 | Cc1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2011.08.074 | ||
56683044 | 65772 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 521 | 6 | 3 | 8 | 3.4 | NC(=O)n1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4nccs4)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834795 | 65772 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 521 | 6 | 3 | 8 | 3.4 | NC(=O)n1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4nccs4)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
56662695 | 65775 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 520 | 7 | 2 | 7 | 4.6 | CCc1ncc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)s1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834798 | 65775 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 520 | 7 | 2 | 7 | 4.6 | CCc1ncc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)s1 | 10.1016/j.bmcl.2011.08.074 | ||
10232019 | 73701 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 584 | 14 | 5 | 5 | 5.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NCc1ccccc1 | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018394 | 73701 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 584 | 14 | 5 | 5 | 5.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NCc1ccccc1 | 10.1016/j.bmcl.2012.03.007 | ||
57398750 | 70987 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3ccnnc3)CC2)C1 | 10.1021/ml200030q | ||
CHEMBL1951775 | 70987 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3ccnnc3)CC2)C1 | 10.1021/ml200030q | ||
127025092 | 138198 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 414 | 2 | 2 | 6 | 1.5 | CC(C)(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ncc(Cl)s3)CC2)C1 | 10.1039/C5MD00362H | ||
CHEMBL3770125 | 138198 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 414 | 2 | 2 | 6 | 1.5 | CC(C)(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ncc(Cl)s3)CC2)C1 | 10.1039/C5MD00362H | ||
10152864 | 187850 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 543 | 8 | 3 | 6 | 3.2 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL496432 | 187850 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 543 | 8 | 3 | 6 | 3.2 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
57391768 | 70984 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3ccncn3)CC2)C1 | 10.1021/ml200030q | ||
CHEMBL1951772 | 70984 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3ccncn3)CC2)C1 | 10.1021/ml200030q | ||
25022597 | 95310 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 448 | 6 | 3 | 4 | 3.0 | Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)c(C)c1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL256629 | 95310 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 448 | 6 | 3 | 4 | 3.0 | Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)c(C)c1 | 10.1016/j.bmcl.2008.02.015 | ||
44425633 | 86012 | 0 | None | 1 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 578 | 5 | 1 | 2 | 7.8 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL230721 | 86012 | 0 | None | 1 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 578 | 5 | 1 | 2 | 7.8 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
44425633 | 86012 | 0 | None | 1 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 578 | 5 | 1 | 2 | 7.8 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL230721 | 86012 | 0 | None | 1 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 578 | 5 | 1 | 2 | 7.8 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
50991056 | 62536 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)cnn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1782572 | 62536 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)cnn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
10008367 | 2009 | 50 | None | -2 | 3 | Mouse | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@@H]1CC[C@](CC1)(O)c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2010.10.020 | ||
777 | 2009 | 50 | None | -2 | 3 | Mouse | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@@H]1CC[C@](CC1)(O)c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2010.10.020 | ||
CHEMBL1289316 | 2009 | 50 | None | -2 | 3 | Mouse | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@@H]1CC[C@](CC1)(O)c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2010.10.020 | ||
CHEMBL2426341 | 2009 | 50 | None | -2 | 3 | Mouse | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@@H]1CC[C@](CC1)(O)c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2010.10.020 | ||
44425635 | 153508 | 0 | None | 3 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 592 | 6 | 1 | 2 | 8.2 | CC(C)C[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL398000 | 153508 | 0 | None | 3 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 592 | 6 | 1 | 2 | 8.2 | CC(C)C[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
46240585 | 83554 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 524 | 7 | 3 | 6 | 3.6 | CC(C)c1ncc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)s1 | 10.1021/ml300260s | ||
CHEMBL2204265 | 83554 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 524 | 7 | 3 | 6 | 3.6 | CC(C)c1ncc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)s1 | 10.1021/ml300260s | ||
44353447 | 3746 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1016/j.bmcl.2010.02.072 | ||
785 | 3746 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL337246 | 3746 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1016/j.bmcl.2010.02.072 | ||
10272003 | 58849 | 1 | None | 2 | 3 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 395 | 2 | 2 | 5 | 3.4 | Cc1nn(C)c2ncc(C(=O)NC(=O)Nc3ccc(F)c(C(F)(F)F)c3)cc12 | 10.1021/jm1012903 | ||
CHEMBL1688888 | 58849 | 1 | None | 2 | 3 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 395 | 2 | 2 | 5 | 3.4 | Cc1nn(C)c2ncc(C(=O)NC(=O)Nc3ccc(F)c(C(F)(F)F)c3)cc12 | 10.1021/jm1012903 | ||
10272003 | 58849 | 1 | None | 2 | 3 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 395 | 2 | 2 | 5 | 3.4 | Cc1nn(C)c2ncc(C(=O)NC(=O)Nc3ccc(F)c(C(F)(F)F)c3)cc12 | 10.1021/jm1012903 | ||
CHEMBL1688888 | 58849 | 1 | None | 2 | 3 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 395 | 2 | 2 | 5 | 3.4 | Cc1nn(C)c2ncc(C(=O)NC(=O)Nc3ccc(F)c(C(F)(F)F)c3)cc12 | 10.1021/jm1012903 | ||
21098469 | 142327 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 326 | 4 | 2 | 3 | 3.9 | Clc1ccccc1CN1CCC(Nc2ccc3[nH]ncc3c2)C1 | 10.1016/j.bmc.2006.09.052 | ||
CHEMBL388742 | 142327 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 326 | 4 | 2 | 3 | 3.9 | Clc1ccccc1CN1CCC(Nc2ccc3[nH]ncc3c2)C1 | 10.1016/j.bmc.2006.09.052 | ||
54585108 | 62533 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3ccnc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1782569 | 62533 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3ccnc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
54583187 | 62544 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 484 | 5 | 2 | 6 | 2.7 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](N[C@H]2CCOC[C@H]2O)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1782580 | 62544 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 484 | 5 | 2 | 6 | 2.7 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](N[C@H]2CCOC[C@H]2O)C1 | 10.1016/j.bmcl.2011.01.034 | ||
46885214 | 7666 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 545 | 8 | 2 | 5 | 2.5 | CC(CN1CC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C1)N1CCN(C(=O)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL1088810 | 7666 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 545 | 8 | 2 | 5 | 2.5 | CC(CN1CC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C1)N1CCN(C(=O)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.02.072 | ||
145960485 | 161527 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 546 | 6 | 1 | 4 | 7.0 | O=C1c2ccnc(Nc3ccc(Cl)c(Cl)c3)c2CCCN1CCCN1CCC2(C=Cc3ccccc32)CC1 | 10.1016/j.bmc.2018.05.027 | ||
CHEMBL4128742 | 161527 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 546 | 6 | 1 | 4 | 7.0 | O=C1c2ccnc(Nc3ccc(Cl)c(Cl)c3)c2CCCN1CCCN1CCC2(C=Cc3ccccc32)CC1 | 10.1016/j.bmc.2018.05.027 | ||
44442586 | 93782 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 521 | 9 | 5 | 5 | 2.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(N)cc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL247621 | 93782 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 521 | 9 | 5 | 5 | 2.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(N)cc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
54583112 | 62516 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 513 | 6 | 0 | 7 | 3.1 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)cnn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1782378 | 62516 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 513 | 6 | 0 | 7 | 3.1 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)cnn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
46241826 | 83532 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 490 | 6 | 3 | 5 | 2.8 | Cc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml300260s | ||
CHEMBL2204243 | 83532 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 490 | 6 | 3 | 5 | 2.8 | Cc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml300260s | ||
145954490 | 161611 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 519 | 8 | 1 | 6 | 3.6 | CN(C1CCN(CCCN2CCCc3c(ccnc3Nc3ccc(Cl)cc3)C2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
CHEMBL4130047 | 161611 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 519 | 8 | 1 | 6 | 3.6 | CN(C1CCN(CCCN2CCCc3c(ccnc3Nc3ccc(Cl)cc3)C2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
70693849 | 73702 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 491 | 11 | 5 | 5 | 4.0 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNc1n[nH]c2ccc(C(F)(F)F)cc12 | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018395 | 73702 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 491 | 11 | 5 | 5 | 4.0 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNc1n[nH]c2ccc(C(F)(F)F)cc12 | 10.1016/j.bmcl.2012.03.007 | ||
44453507 | 168954 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 531 | 7 | 2 | 3 | 5.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccccc2-c2ccc3ccccc3c2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL439062 | 168954 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 531 | 7 | 2 | 3 | 5.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccccc2-c2ccc3ccccc3c2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
54583185 | 62534 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ncn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1782570 | 62534 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ncn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
57393249 | 68932 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C\c2cc(F)cc(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922824 | 68932 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C\c2cc(F)cc(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
22143196 | 183963 | 0 | None | -3 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 509 | 7 | 5 | 6 | 2.0 | CSc1ccc(C(=O)NC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
CHEMBL481790 | 183963 | 0 | None | -3 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 509 | 7 | 5 | 6 | 2.0 | CSc1ccc(C(=O)NC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
22143196 | 183963 | 0 | None | -3 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 509 | 7 | 5 | 6 | 2.0 | CSc1ccc(C(=O)NC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
CHEMBL481790 | 183963 | 0 | None | -3 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 509 | 7 | 5 | 6 | 2.0 | CSc1ccc(C(=O)NC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
57656825 | 75179 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 394 | 4 | 1 | 3 | 3.5 | O=C(Nc1ccc(F)c(Cl)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036759 | 75179 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 394 | 4 | 1 | 3 | 3.5 | O=C(Nc1ccc(F)c(Cl)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
46842086 | 7947 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 544 | 8 | 2 | 4 | 3.9 | Cc1cccc(C(=O)N2CCC(CCN3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)c1 | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL1090548 | 7947 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 544 | 8 | 2 | 4 | 3.9 | Cc1cccc(C(=O)N2CCC(CCN3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)c1 | 10.1016/j.bmcl.2010.02.072 | ||
122181145 | 121807 | 0 | None | 1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 528 | 6 | 1 | 3 | 6.1 | CC1Cc2ccccc2C2(CCN(CCCC(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)O1 | 10.1016/j.bmc.2015.02.019 | ||
CHEMBL3589840 | 121807 | 0 | None | 1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 528 | 6 | 1 | 3 | 6.1 | CC1Cc2ccccc2C2(CCN(CCCC(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)O1 | 10.1016/j.bmc.2015.02.019 | ||
44413411 | 77709 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 501 | 8 | 2 | 3 | 5.4 | CC1CCN(CCN[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)CC1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL209002 | 77709 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 501 | 8 | 2 | 3 | 5.4 | CC1CCN(CCN[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)CC1 | 10.1016/j.bmcl.2008.01.023 | ||
44413411 | 77709 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 501 | 8 | 2 | 3 | 5.4 | CC1CCN(CCN[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)CC1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL209002 | 77709 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 501 | 8 | 2 | 3 | 5.4 | CC1CCN(CCN[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)CC1 | 10.1016/j.bmcl.2008.01.023 | ||
44453534 | 97853 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 451 | 7 | 3 | 5 | 2.5 | COc1cc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)ccc1O | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL272331 | 97853 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 451 | 7 | 3 | 5 | 2.5 | COc1cc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)ccc1O | 10.1016/j.bmcl.2008.02.015 | ||
44413144 | 139194 | 0 | None | -1 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 465 | 8 | 2 | 3 | 4.4 | CN(C)CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL378784 | 139194 | 0 | None | -1 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 465 | 8 | 2 | 3 | 4.4 | CN(C)CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1 | 10.1016/j.bmcl.2008.01.023 | ||
44413144 | 139194 | 0 | None | -1 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 465 | 8 | 2 | 3 | 4.4 | CN(C)CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL378784 | 139194 | 0 | None | -1 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 465 | 8 | 2 | 3 | 4.4 | CN(C)CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1 | 10.1016/j.bmcl.2008.01.023 | ||
145960924 | 161521 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 581 | 10 | 1 | 6 | 4.2 | CN(C1CCN(CCCN2CCCc3c(ccnc3NCCc3ccc(Cl)c(Cl)c3)C2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
CHEMBL4128658 | 161521 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 581 | 10 | 1 | 6 | 4.2 | CN(C1CCN(CCCN2CCCc3c(ccnc3NCCc3ccc(Cl)c(Cl)c3)C2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
162658125 | 181072 | 0 | None | 100 | 3 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
CHEMBL4760108 | 181072 | 0 | None | 100 | 3 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
57335017 | 70309 | 0 | None | 1380 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 595 | 8 | 4 | 6 | 2.8 | N[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCC2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
CHEMBL1944776 | 70309 | 0 | None | 1380 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 595 | 8 | 4 | 6 | 2.8 | N[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCC2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
10142792 | 93712 | 0 | None | 26 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 521 | 9 | 5 | 5 | 2.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL247245 | 93712 | 0 | None | 26 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 521 | 9 | 5 | 5 | 2.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
22143112 | 188421 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 594 | 11 | 5 | 6 | 3.7 | CCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC)C1 | 10.1016/j.bmcl.2008.07.123 | ||
CHEMBL502513 | 188421 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 594 | 11 | 5 | 6 | 3.7 | CCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC)C1 | 10.1016/j.bmcl.2008.07.123 | ||
22143305 | 183588 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 506 | 9 | 3 | 5 | 3.2 | COc1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
CHEMBL480228 | 183588 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 506 | 9 | 3 | 5 | 3.2 | COc1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
44570781 | 192541 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 515 | 8 | 4 | 4 | 3.7 | CN(C)C1CCC(NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(NCc2ccc3[nH]ccc3c2)C1 | 10.1016/j.bmcl.2008.12.062 | ||
CHEMBL521275 | 192541 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 515 | 8 | 4 | 4 | 3.7 | CN(C)C1CCC(NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(NCc2ccc3[nH]ccc3c2)C1 | 10.1016/j.bmcl.2008.12.062 | ||
56664979 | 65713 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 529 | 6 | 2 | 7 | 4.3 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4ccc5c(c4)OCO5)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834635 | 65713 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 529 | 6 | 2 | 7 | 4.3 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4ccc5c(c4)OCO5)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
44425635 | 153508 | 0 | None | 3 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 592 | 6 | 1 | 2 | 8.2 | CC(C)C[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL398000 | 153508 | 0 | None | 3 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 592 | 6 | 1 | 2 | 8.2 | CC(C)C[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
11421840 | 77609 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 578 | 9 | 2 | 5 | 5.2 | CCc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)cc1 | 10.1016/j.bmcl.2012.08.002 | ||
CHEMBL2088379 | 77609 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 578 | 9 | 2 | 5 | 5.2 | CCc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)cc1 | 10.1016/j.bmcl.2012.08.002 | ||
11273379 | 74519 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 595 | 6 | 2 | 8 | 4.2 | O=C(C1CCN(c2cccc(C(F)(F)F)n2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | ||
CHEMBL2029567 | 74519 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 595 | 6 | 2 | 8 | 4.2 | O=C(C1CCN(c2cccc(C(F)(F)F)n2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | ||
44453365 | 97499 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 465 | 7 | 4 | 6 | 2.0 | COc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1N | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL270435 | 97499 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 465 | 7 | 4 | 6 | 2.0 | COc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1N | 10.1016/j.bmcl.2008.02.015 | ||
53322810 | 58442 | 0 | None | 2 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3nccc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
CHEMBL1683075 | 58442 | 0 | None | 2 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3nccc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
44425630 | 85998 | 0 | None | 14 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 550 | 4 | 1 | 2 | 7.2 | C[C@H]1CN([C@@H]2CC[C@](C)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL230617 | 85998 | 0 | None | 14 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 550 | 4 | 1 | 2 | 7.2 | C[C@H]1CN([C@@H]2CC[C@](C)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
9956238 | 60168 | 1 | None | 3 | 4 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 467 | 8 | 2 | 8 | 3.0 | Cc1nn(C)c2nc(N(C)CCN(C)C)c(C(=O)NC(=O)Nc3cccc(OC(C)C)c3)cc12 | 10.1021/jm1012903 | ||
CHEMBL1688889 | 60168 | 1 | None | 3 | 4 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 467 | 8 | 2 | 8 | 3.0 | Cc1nn(C)c2nc(N(C)CCN(C)C)c(C(=O)NC(=O)Nc3cccc(OC(C)C)c3)cc12 | 10.1021/jm1012903 | ||
CHEMBL1739922 | 60168 | 1 | None | 3 | 4 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 467 | 8 | 2 | 8 | 3.0 | Cc1nn(C)c2nc(N(C)CCN(C)C)c(C(=O)NC(=O)Nc3cccc(OC(C)C)c3)cc12 | 10.1021/jm1012903 | ||
9956238 | 60168 | 1 | None | 3 | 4 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 467 | 8 | 2 | 8 | 3.0 | Cc1nn(C)c2nc(N(C)CCN(C)C)c(C(=O)NC(=O)Nc3cccc(OC(C)C)c3)cc12 | 10.1021/jm1012903 | ||
CHEMBL1688889 | 60168 | 1 | None | 3 | 4 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 467 | 8 | 2 | 8 | 3.0 | Cc1nn(C)c2nc(N(C)CCN(C)C)c(C(=O)NC(=O)Nc3cccc(OC(C)C)c3)cc12 | 10.1021/jm1012903 | ||
CHEMBL1739922 | 60168 | 1 | None | 3 | 4 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 467 | 8 | 2 | 8 | 3.0 | Cc1nn(C)c2nc(N(C)CCN(C)C)c(C(=O)NC(=O)Nc3cccc(OC(C)C)c3)cc12 | 10.1021/jm1012903 | ||
21098478 | 142615 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 340 | 4 | 2 | 3 | 4.3 | Clc1cccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1 | 10.1016/j.bmc.2006.09.052 | ||
CHEMBL389168 | 142615 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 340 | 4 | 2 | 3 | 4.3 | Clc1cccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1 | 10.1016/j.bmc.2006.09.052 | ||
21098468 | 144648 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 340 | 4 | 2 | 3 | 4.3 | Clc1ccccc1CN1CCCC(Nc2ccc3[nH]ncc3c2)C1 | 10.1016/j.bmc.2006.09.052 | ||
CHEMBL390837 | 144648 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 340 | 4 | 2 | 3 | 4.3 | Clc1ccccc1CN1CCCC(Nc2ccc3[nH]ncc3c2)C1 | 10.1016/j.bmc.2006.09.052 | ||
68616341 | 73704 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 479 | 11 | 4 | 4 | 4.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018397 | 73704 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 479 | 11 | 4 | 4 | 4.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
57400161 | 68897 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 553 | 7 | 2 | 3 | 5.9 | CN(C1CCC(c2c[nH]c3ccccc23)CC1)C(C(=O)O)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922784 | 68897 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 553 | 7 | 2 | 3 | 5.9 | CN(C1CCC(c2c[nH]c3ccccc23)CC1)C(C(=O)O)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
44442598 | 154363 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 465 | 9 | 5 | 5 | 1.4 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2N)C(N)=O)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL398747 | 154363 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 465 | 9 | 5 | 5 | 1.4 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2N)C(N)=O)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
11843812 | 79875 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 563 | 9 | 2 | 3 | 6.6 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCC(c2ccccc2)CC1)c1ccccc1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL212423 | 79875 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 563 | 9 | 2 | 3 | 6.6 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCC(c2ccccc2)CC1)c1ccccc1 | 10.1016/j.bmcl.2008.01.023 | ||
11606702 | 145729 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 580 | 14 | 1 | 5 | 7.8 | CCC(CCCN(CC)CC)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
CHEMBL391662 | 145729 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 580 | 14 | 1 | 5 | 7.8 | CCC(CCCN(CC)CC)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
57344307 | 68909 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 539 | 7 | 3 | 4 | 4.4 | NC(=O)C(NC1CCC(c2c[nH]c3ccncc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922796 | 68909 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 539 | 7 | 3 | 4 | 4.4 | NC(=O)C(NC1CCC(c2c[nH]c3ccncc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
44413399 | 79500 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 501 | 8 | 2 | 3 | 5.5 | CC1CCCCN1CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL211404 | 79500 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 501 | 8 | 2 | 3 | 5.5 | CC1CCCCN1CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 | 10.1016/j.bmcl.2008.01.023 | ||
11843812 | 79875 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 563 | 9 | 2 | 3 | 6.6 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCC(c2ccccc2)CC1)c1ccccc1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL212423 | 79875 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 563 | 9 | 2 | 3 | 6.6 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCC(c2ccccc2)CC1)c1ccccc1 | 10.1016/j.bmcl.2008.01.023 | ||
44413399 | 79500 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 501 | 8 | 2 | 3 | 5.5 | CC1CCCCN1CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL211404 | 79500 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 501 | 8 | 2 | 3 | 5.5 | CC1CCCCN1CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 | 10.1016/j.bmcl.2008.01.023 | ||
10187492 | 147765 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 549 | 11 | 5 | 5 | 3.7 | CCNc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H](CNCc1ccc(C)cc1C)C(=O)NC(C)(C)C | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL393267 | 147765 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 549 | 11 | 5 | 5 | 3.7 | CCNc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H](CNCc1ccc(C)cc1C)C(=O)NC(C)(C)C | 10.1016/j.bmcl.2007.07.028 | ||
54754723 | 65723 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 467 | 8 | 2 | 6 | 3.4 | CCOC[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(C)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834644 | 65723 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 467 | 8 | 2 | 6 | 3.4 | CCOC[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(C)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
57394967 | 68899 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 509 | 6 | 2 | 2 | 6.5 | CC(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922786 | 68899 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 509 | 6 | 2 | 2 | 6.5 | CC(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
44413137 | 78863 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 453 | 8 | 2 | 4 | 4.3 | CN(C)CCN[C@@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccs1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL211292 | 78863 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 453 | 8 | 2 | 4 | 4.3 | CN(C)CCN[C@@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccs1 | 10.1016/j.bmcl.2008.01.023 | ||
162658125 | 181072 | 0 | None | 100 | 3 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
CHEMBL4760108 | 181072 | 0 | None | 100 | 3 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
44425308 | 153682 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 627 | 9 | 3 | 5 | 6.6 | CNC(=O)Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
CHEMBL398150 | 153682 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 627 | 9 | 3 | 5 | 6.6 | CNC(=O)Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
44413137 | 78863 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 453 | 8 | 2 | 4 | 4.3 | CN(C)CCN[C@@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccs1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL211292 | 78863 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 453 | 8 | 2 | 4 | 4.3 | CN(C)CCN[C@@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccs1 | 10.1016/j.bmcl.2008.01.023 | ||
155514261 | 169812 | 0 | None | -1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 493 | 4 | 1 | 3 | 5.2 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1c1cccc(Br)c1)C1CC1 | 10.1021/acs.jmedchem.8b00605 | ||
CHEMBL4439854 | 169812 | 0 | None | -1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 493 | 4 | 1 | 3 | 5.2 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1c1cccc(Br)c1)C1CC1 | 10.1021/acs.jmedchem.8b00605 | ||
155514261 | 169812 | 0 | None | -1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 493 | 4 | 1 | 3 | 5.2 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1c1cccc(Br)c1)C1CC1 | 10.1021/acs.jmedchem.8b00605 | ||
CHEMBL4439854 | 169812 | 0 | None | -1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 493 | 4 | 1 | 3 | 5.2 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1c1cccc(Br)c1)C1CC1 | 10.1021/acs.jmedchem.8b00605 | ||
11273379 | 74519 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 595 | 6 | 2 | 8 | 4.2 | O=C(C1CCN(c2cccc(C(F)(F)F)n2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | ||
CHEMBL2029567 | 74519 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 595 | 6 | 2 | 8 | 4.2 | O=C(C1CCN(c2cccc(C(F)(F)F)n2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | ||
122181150 | 121812 | 0 | None | 125 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 608 | 7 | 1 | 3 | 7.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(CC1)OCCc1ccccc12)c1ccc(F)cc1 | 10.1016/j.bmc.2015.02.019 | ||
CHEMBL3589845 | 121812 | 0 | None | 125 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 608 | 7 | 1 | 3 | 7.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(CC1)OCCc1ccccc12)c1ccc(F)cc1 | 10.1016/j.bmc.2015.02.019 | ||
781 | 3371 | 80 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | ||
9953769 | 3371 | 80 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | ||
CHEMBL134074 | 3371 | 80 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | ||
10165625 | 73699 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 536 | 13 | 5 | 5 | 4.3 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(C)C | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018392 | 73699 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 536 | 13 | 5 | 5 | 4.3 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(C)C | 10.1016/j.bmcl.2012.03.007 | ||
46884898 | 7685 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 564 | 8 | 2 | 4 | 4.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccccc3Cl)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL1088874 | 7685 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 564 | 8 | 2 | 4 | 4.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccccc3Cl)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
46885027 | 8389 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 531 | 8 | 2 | 5 | 2.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL1093469 | 8389 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 531 | 8 | 2 | 5 | 2.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
53325460 | 58464 | 0 | None | 2 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 538 | 6 | 1 | 6 | 3.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](CC(F)(F)F)(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 | 10.1016/j.bmcl.2011.01.015 | ||
CHEMBL1683190 | 58464 | 0 | None | 2 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 538 | 6 | 1 | 6 | 3.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](CC(F)(F)F)(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 | 10.1016/j.bmcl.2011.01.015 | ||
56671923 | 65709 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 471 | 6 | 3 | 4 | 4.5 | O=C(CNc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834631 | 65709 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 471 | 6 | 3 | 4 | 4.5 | O=C(CNc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
44425630 | 85998 | 0 | None | 14 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 550 | 4 | 1 | 2 | 7.2 | C[C@H]1CN([C@@H]2CC[C@](C)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL230617 | 85998 | 0 | None | 14 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 550 | 4 | 1 | 2 | 7.2 | C[C@H]1CN([C@@H]2CC[C@](C)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
127025089 | 138280 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 398 | 2 | 2 | 6 | 1.0 | CC(C)(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ncc(F)s3)CC2)C1 | 10.1039/C5MD00362H | ||
CHEMBL3770951 | 138280 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 398 | 2 | 2 | 6 | 1.0 | CC(C)(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ncc(F)s3)CC2)C1 | 10.1039/C5MD00362H | ||
44453325 | 155517 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 466 | 7 | 4 | 6 | 2.1 | COc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1O | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL404269 | 155517 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 466 | 7 | 4 | 6 | 2.1 | COc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1O | 10.1016/j.bmcl.2008.02.015 | ||
57395216 | 70983 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3ncccn3)CC2)C1 | 10.1021/ml200030q | ||
CHEMBL1951771 | 70983 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3ncccn3)CC2)C1 | 10.1021/ml200030q | ||
44453372 | 155720 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 433 | 7 | 2 | 3 | 3.4 | CCc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL405633 | 155720 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 433 | 7 | 2 | 3 | 3.4 | CCc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
10281715 | 73694 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 579 | 13 | 6 | 5 | 4.0 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018387 | 73694 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 579 | 13 | 6 | 5 | 4.0 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C | 10.1016/j.bmcl.2012.03.007 | ||
54582217 | 62540 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 512 | 7 | 1 | 6 | 3.7 | CCO[C@H]1COCC[C@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1782576 | 62540 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 512 | 7 | 1 | 6 | 3.7 | CCO[C@H]1COCC[C@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
57344314 | 68901 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 553 | 7 | 2 | 4 | 5.7 | COC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922788 | 68901 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 553 | 7 | 2 | 4 | 5.7 | COC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
57394968 | 68900 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 525 | 7 | 3 | 3 | 5.5 | O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC(C(CO)NC2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922787 | 68900 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 525 | 7 | 3 | 3 | 5.5 | O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC(C(CO)NC2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
57391487 | 68906 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 540 | 7 | 3 | 4 | 4.6 | NC(=O)C(NC1CCC(C2CNc3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922793 | 68906 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 540 | 7 | 3 | 4 | 4.6 | NC(=O)C(NC1CCC(C2CNc3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
70692344 | 75169 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 370 | 3 | 2 | 3 | 3.1 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(CC2CCCNC2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036749 | 75169 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 370 | 3 | 2 | 3 | 3.1 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(CC2CCCNC2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
57398493 | 68921 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 473 | 6 | 4 | 3 | 4.6 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)Nc2ccccc2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922811 | 68921 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 473 | 6 | 4 | 3 | 4.6 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)Nc2ccccc2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
44563071 | 186671 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 525 | 6 | 2 | 4 | 4.0 | NC(=O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ncccc23)CC1 | 10.1016/j.bmcl.2008.10.061 | ||
CHEMBL488433 | 186671 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 525 | 6 | 2 | 4 | 4.0 | NC(=O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ncccc23)CC1 | 10.1016/j.bmcl.2008.10.061 | ||
11632418 | 75168 | 1 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 384 | 3 | 1 | 3 | 3.5 | CN1CCCC(CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036748 | 75168 | 1 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 384 | 3 | 1 | 3 | 3.5 | CN1CCCC(CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
44415898 | 81092 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 536 | 7 | 1 | 2 | 6.8 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(C=Cc3ccccc32)CC1)C1CC1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL215654 | 81092 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 536 | 7 | 1 | 2 | 6.8 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(C=Cc3ccccc32)CC1)C1CC1 | 10.1016/j.bmcl.2008.01.023 | ||
44415898 | 81092 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 536 | 7 | 1 | 2 | 6.8 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(C=Cc3ccccc32)CC1)C1CC1 | 10.1016/j.bmcl.2008.01.023 | ||
CHEMBL215654 | 81092 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 536 | 7 | 1 | 2 | 6.8 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(C=Cc3ccccc32)CC1)C1CC1 | 10.1016/j.bmcl.2008.01.023 | ||
57344317 | 68903 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 552 | 7 | 3 | 3 | 5.3 | CNC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922790 | 68903 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 552 | 7 | 3 | 3 | 5.3 | CNC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
57344318 | 68904 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 566 | 7 | 2 | 3 | 5.6 | CN(C)C(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
CHEMBL1922791 | 68904 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 566 | 7 | 2 | 3 | 5.6 | CN(C)C(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
44453327 | 95066 | 25 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 439 | 6 | 2 | 3 | 3.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL255408 | 95066 | 25 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 439 | 6 | 2 | 3 | 3.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
57393497 | 69103 | 0 | None | - | 0 | Human | 6.0 | pKd | = | 6 | Functional | ChEMBL | 645 | 10 | 2 | 6 | 6.8 | COc1cc(C(=O)NCCN2CCCCC2)ccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924022 | 69103 | 0 | None | - | 0 | Human | 6.0 | pKd | = | 6 | Functional | ChEMBL | 645 | 10 | 2 | 6 | 6.8 | COc1cc(C(=O)NCCN2CCCCC2)ccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.10.038 | ||
15985912 | 83946 | 0 | None | - | 0 | Human | 5.0 | pKd | = | 5 | Functional | ChEMBL | 416 | 5 | 1 | 5 | 4.1 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
CHEMBL2207081 | 83946 | 0 | None | - | 0 | Human | 5.0 | pKd | = | 5 | Functional | ChEMBL | 416 | 5 | 1 | 5 | 4.1 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
57400128 | 69096 | 0 | None | - | 0 | Human | 5.9 | pKd | = | 5.9 | Functional | ChEMBL | 629 | 9 | 2 | 5 | 7.1 | Cc1cc(Oc2ccc(C(=O)NCCN3CCCCC3)cc2)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1Cl | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924015 | 69096 | 0 | None | - | 0 | Human | 5.9 | pKd | = | 5.9 | Functional | ChEMBL | 629 | 9 | 2 | 5 | 7.1 | Cc1cc(Oc2ccc(C(=O)NCCN3CCCCC3)cc2)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1Cl | 10.1016/j.bmcl.2011.10.038 | ||
57400125 | 69085 | 0 | None | - | 0 | Human | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | 582 | 9 | 2 | 6 | 5.9 | O=C(NCCN1CCCCC1)c1ccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924004 | 69085 | 0 | None | - | 0 | Human | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | 582 | 9 | 2 | 6 | 5.9 | O=C(NCCN1CCCCC1)c1ccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
44180522 | 69105 | 0 | None | - | 0 | Human | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 631 | 10 | 2 | 6 | 6.4 | COc1cc(C(=O)NCCN2CCCC2)ccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924024 | 69105 | 0 | None | - | 0 | Human | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 631 | 10 | 2 | 6 | 6.4 | COc1cc(C(=O)NCCN2CCCC2)ccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.10.038 | ||
57393496 | 69102 | 0 | None | - | 0 | Human | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | 629 | 9 | 2 | 5 | 7.1 | Cc1cc(C(=O)NCCN2CCCCC2)ccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924021 | 69102 | 0 | None | - | 0 | Human | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | 629 | 9 | 2 | 5 | 7.1 | Cc1cc(C(=O)NCCN2CCCCC2)ccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.10.038 | ||
57656833 | 75200 | 0 | None | 4 | 4 | Human | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 427 | 3 | 2 | 4 | 2.4 | CC(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036782 | 75200 | 0 | None | 4 | 4 | Human | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 427 | 3 | 2 | 4 | 2.4 | CC(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
57393219 | 69093 | 0 | None | - | 0 | Human | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 581 | 9 | 2 | 5 | 6.5 | O=C(NCCN1CCCCC1)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924012 | 69093 | 0 | None | - | 0 | Human | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 581 | 9 | 2 | 5 | 6.5 | O=C(NCCN1CCCCC1)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
57400127 | 69095 | 0 | None | - | 0 | Human | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 616 | 9 | 2 | 6 | 6.2 | O=C(NCCN1CCCCC1)c1ccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924014 | 69095 | 0 | None | - | 0 | Human | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 616 | 9 | 2 | 6 | 6.2 | O=C(NCCN1CCCCC1)c1ccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
57393220 | 69097 | 0 | None | - | 0 | Human | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 645 | 10 | 2 | 6 | 6.8 | COc1cc(Oc2ccc(C(=O)NCCN3CCCCC3)cc2)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1Cl | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924016 | 69097 | 0 | None | - | 0 | Human | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 645 | 10 | 2 | 6 | 6.8 | COc1cc(Oc2ccc(C(=O)NCCN3CCCCC3)cc2)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1Cl | 10.1016/j.bmcl.2011.10.038 | ||
57397001 | 69099 | 0 | None | - | 0 | Human | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 615 | 9 | 2 | 5 | 6.7 | Cc1cc(Oc2ccc(C(=O)NCCN3CCCC3)cc2)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1Cl | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924018 | 69099 | 0 | None | - | 0 | Human | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 615 | 9 | 2 | 5 | 6.7 | Cc1cc(Oc2ccc(C(=O)NCCN3CCCC3)cc2)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1Cl | 10.1016/j.bmcl.2011.10.038 | ||
57400420 | 69100 | 0 | None | - | 0 | Human | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 631 | 10 | 2 | 6 | 6.4 | COc1cc(Oc2ccc(C(=O)NCCN3CCCC3)cc2)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1Cl | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924019 | 69100 | 0 | None | - | 0 | Human | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 631 | 10 | 2 | 6 | 6.4 | COc1cc(Oc2ccc(C(=O)NCCN3CCCC3)cc2)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1Cl | 10.1016/j.bmcl.2011.10.038 | ||
57393495 | 69101 | 0 | None | - | 0 | Human | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 637 | 9 | 2 | 5 | 6.7 | O=C(NCCN1CCC(F)(F)C1)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924020 | 69101 | 0 | None | - | 0 | Human | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 637 | 9 | 2 | 5 | 6.7 | O=C(NCCN1CCC(F)(F)C1)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
57400129 | 69098 | 0 | None | - | 0 | Human | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 601 | 9 | 2 | 5 | 6.4 | O=C(NCCN1CCCC1)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924017 | 69098 | 0 | None | - | 0 | Human | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 601 | 9 | 2 | 5 | 6.4 | O=C(NCCN1CCCC1)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
57395221 | 69104 | 0 | None | - | 0 | Human | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 615 | 9 | 2 | 5 | 6.7 | Cc1cc(C(=O)NCCN2CCCC2)ccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924023 | 69104 | 0 | None | - | 0 | Human | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 615 | 9 | 2 | 5 | 6.7 | Cc1cc(C(=O)NCCN2CCCC2)ccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.10.038 | ||
57398458 | 69094 | 0 | None | - | 0 | Human | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 615 | 9 | 2 | 5 | 6.8 | O=C(NCCN1CCCCC1)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924013 | 69094 | 0 | None | - | 0 | Human | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 615 | 9 | 2 | 5 | 6.8 | O=C(NCCN1CCCCC1)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
16124598 | 10697 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 472 | 6 | 2 | 5 | 5.3 | O=C(O)c1ccccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1171008 | 10697 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 472 | 6 | 2 | 5 | 5.3 | O=C(O)c1ccccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
49798435 | 10671 | 0 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 472 | 6 | 2 | 5 | 5.3 | O=C(O)c1cccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1170828 | 10671 | 0 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 472 | 6 | 2 | 5 | 5.3 | O=C(O)c1cccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 | 10.1016/j.bmcl.2010.04.142 | ||
49798434 | 10670 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 490 | 6 | 2 | 5 | 5.5 | O=C(O)c1c(F)cccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1170827 | 10670 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 490 | 6 | 2 | 5 | 5.5 | O=C(O)c1c(F)cccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
49798461 | 10661 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8 | Functional | ChEMBL | 443 | 5 | 1 | 5 | 5.3 | Cc1ncccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1170725 | 10661 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8 | Functional | ChEMBL | 443 | 5 | 1 | 5 | 5.3 | Cc1ncccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
17756652 | 10698 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8 | Functional | ChEMBL | 473 | 6 | 2 | 6 | 4.7 | O=C(O)c1cncc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1171011 | 10698 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8 | Functional | ChEMBL | 473 | 6 | 2 | 6 | 4.7 | O=C(O)c1cncc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 | 10.1016/j.bmcl.2010.04.142 | ||
49798461 | 10661 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8 | Functional | ChEMBL | 443 | 5 | 1 | 5 | 5.3 | Cc1ncccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1170725 | 10661 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8 | Functional | ChEMBL | 443 | 5 | 1 | 5 | 5.3 | Cc1ncccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2011.10.038 | ||
57398458 | 69094 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8 | Functional | ChEMBL | 615 | 9 | 2 | 5 | 6.8 | O=C(NCCN1CCCCC1)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924013 | 69094 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8 | Functional | ChEMBL | 615 | 9 | 2 | 5 | 6.8 | O=C(NCCN1CCCCC1)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
57393220 | 69097 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8 | Functional | ChEMBL | 645 | 10 | 2 | 6 | 6.8 | COc1cc(Oc2ccc(C(=O)NCCN3CCCCC3)cc2)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1Cl | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924016 | 69097 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8 | Functional | ChEMBL | 645 | 10 | 2 | 6 | 6.8 | COc1cc(Oc2ccc(C(=O)NCCN3CCCCC3)cc2)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1Cl | 10.1016/j.bmcl.2011.10.038 | ||
15985914 | 83945 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7 | Functional | ChEMBL | 457 | 6 | 1 | 6 | 4.4 | O=S(=O)(Nc1cc(Cl)ccc1Cn1nnnc1C1CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
CHEMBL2207080 | 83945 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7 | Functional | ChEMBL | 457 | 6 | 1 | 6 | 4.4 | O=S(=O)(Nc1cc(Cl)ccc1Cn1nnnc1C1CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
15985914 | 83945 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7 | Functional | ChEMBL | 457 | 6 | 1 | 6 | 4.4 | O=S(=O)(Nc1cc(Cl)ccc1Cn1nnnc1C1CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
CHEMBL2207080 | 83945 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7 | Functional | ChEMBL | 457 | 6 | 1 | 6 | 4.4 | O=S(=O)(Nc1cc(Cl)ccc1Cn1nnnc1C1CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
15985912 | 83946 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7 | Functional | ChEMBL | 416 | 5 | 1 | 5 | 4.1 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
CHEMBL2207081 | 83946 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7 | Functional | ChEMBL | 416 | 5 | 1 | 5 | 4.1 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
57394938 | 69089 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7 | Functional | ChEMBL | 568 | 9 | 2 | 6 | 5.5 | O=C(NCCN1CCCC1)c1cccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924008 | 69089 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7 | Functional | ChEMBL | 568 | 9 | 2 | 6 | 5.5 | O=C(NCCN1CCCC1)c1cccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 | 10.1016/j.bmcl.2011.10.038 | ||
57394938 | 69089 | 0 | None | - | 0 | Human | 6.0 | pKi | = | 6 | Functional | ChEMBL | 568 | 9 | 2 | 6 | 5.5 | O=C(NCCN1CCCC1)c1cccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924008 | 69089 | 0 | None | - | 0 | Human | 6.0 | pKi | = | 6 | Functional | ChEMBL | 568 | 9 | 2 | 6 | 5.5 | O=C(NCCN1CCCC1)c1cccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 | 10.1016/j.bmcl.2011.10.038 | ||
49798291 | 10525 | 0 | None | - | 0 | Mouse | 6.0 | pKi | = | 6 | Functional | ChEMBL | 428 | 6 | 2 | 5 | 4.5 | N#Cc1ccc(Oc2ccccc2C(=O)O)c(NS(=O)(=O)c2ccc(Cl)cc2)c1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1169652 | 10525 | 0 | None | - | 0 | Mouse | 6.0 | pKi | = | 6 | Functional | ChEMBL | 428 | 6 | 2 | 5 | 4.5 | N#Cc1ccc(Oc2ccccc2C(=O)O)c(NS(=O)(=O)c2ccc(Cl)cc2)c1 | 10.1016/j.bmcl.2010.04.142 | ||
49798289 | 10618 | 0 | None | - | 0 | Mouse | 6.0 | pKi | = | 6 | Functional | ChEMBL | 489 | 6 | 2 | 4 | 5.8 | O=C(O)c1c(F)cccc1Oc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1170391 | 10618 | 0 | None | - | 0 | Mouse | 6.0 | pKi | = | 6 | Functional | ChEMBL | 489 | 6 | 2 | 4 | 5.8 | O=C(O)c1c(F)cccc1Oc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
49798289 | 10618 | 0 | None | - | 0 | Human | 5.0 | pKi | = | 5 | Functional | ChEMBL | 489 | 6 | 2 | 4 | 5.8 | O=C(O)c1c(F)cccc1Oc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1170391 | 10618 | 0 | None | - | 0 | Human | 5.0 | pKi | = | 5 | Functional | ChEMBL | 489 | 6 | 2 | 4 | 5.8 | O=C(O)c1c(F)cccc1Oc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
49798462 | 10564 | 0 | None | - | 0 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 463 | 5 | 1 | 5 | 5.7 | O=S(=O)(Nc1cc(Cl)cnc1Oc1cncc(Cl)c1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1169994 | 10564 | 0 | None | - | 0 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 463 | 5 | 1 | 5 | 5.7 | O=S(=O)(Nc1cc(Cl)cnc1Oc1cncc(Cl)c1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
44296310 | 188245 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 458 | 10 | 2 | 3 | 5.4 | CN(C)c1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/s0960-894x(00)00347-4 | ||
CHEMBL49994 | 188245 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 458 | 10 | 2 | 3 | 5.4 | CN(C)c1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/s0960-894x(00)00347-4 | ||
44296310 | 188245 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 458 | 10 | 2 | 3 | 5.4 | CN(C)c1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL49994 | 188245 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 458 | 10 | 2 | 3 | 5.4 | CN(C)c1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/j.bmcl.2007.12.072 | ||
44296310 | 188245 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 458 | 10 | 2 | 3 | 5.4 | CN(C)c1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL49994 | 188245 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 458 | 10 | 2 | 3 | 5.4 | CN(C)c1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/j.bmcl.2007.12.072 | ||
49798289 | 10618 | 0 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 489 | 6 | 2 | 4 | 5.8 | O=C(O)c1c(F)cccc1Oc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1170391 | 10618 | 0 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 489 | 6 | 2 | 4 | 5.8 | O=C(O)c1c(F)cccc1Oc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
9870980 | 154623 | 0 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 509 | 6 | 2 | 2 | 7.0 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](CN2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL399472 | 154623 | 0 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 509 | 6 | 2 | 2 | 7.0 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](CN2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
49798265 | 10696 | 0 | None | - | 0 | Human | 4.9 | pKi | = | 4.9 | Functional | ChEMBL | 489 | 6 | 2 | 4 | 5.8 | O=C(O)c1ccccc1Oc1c(F)cc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1171006 | 10696 | 0 | None | - | 0 | Human | 4.9 | pKi | = | 4.9 | Functional | ChEMBL | 489 | 6 | 2 | 4 | 5.8 | O=C(O)c1ccccc1Oc1c(F)cc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
49798461 | 10661 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 443 | 5 | 1 | 5 | 5.3 | Cc1ncccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1170725 | 10661 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 443 | 5 | 1 | 5 | 5.3 | Cc1ncccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2011.10.038 | ||
57393218 | 69088 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 582 | 9 | 2 | 6 | 5.9 | O=C(NCCN1CCCCC1)c1cccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924007 | 69088 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 582 | 9 | 2 | 6 | 5.9 | O=C(NCCN1CCCCC1)c1cccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 | 10.1016/j.bmcl.2011.10.038 | ||
9870980 | 154623 | 0 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 509 | 6 | 2 | 2 | 7.0 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](CN2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL399472 | 154623 | 0 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 509 | 6 | 2 | 2 | 7.0 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](CN2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
44296287 | 101660 | 0 | None | - | 0 | Human | 4.9 | pKi | = | 4.9 | Functional | ChEMBL | 472 | 10 | 3 | 3 | 5.3 | CC(=O)Nc1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL299379 | 101660 | 0 | None | - | 0 | Human | 4.9 | pKi | = | 4.9 | Functional | ChEMBL | 472 | 10 | 3 | 3 | 5.3 | CC(=O)Nc1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/j.bmcl.2007.12.072 | ||
57400125 | 69085 | 0 | None | - | 0 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 582 | 9 | 2 | 6 | 5.9 | O=C(NCCN1CCCCC1)c1ccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924004 | 69085 | 0 | None | - | 0 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 582 | 9 | 2 | 6 | 5.9 | O=C(NCCN1CCCCC1)c1ccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
57400126 | 69086 | 0 | None | - | 0 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 568 | 9 | 2 | 6 | 5.5 | O=C(NCCN1CCCC1)c1ccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924005 | 69086 | 0 | None | - | 0 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 568 | 9 | 2 | 6 | 5.5 | O=C(NCCN1CCCC1)c1ccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
44296265 | 194572 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 491 | 10 | 2 | 2 | 7.0 | O=C(/C=C/c1ccc(-c2ccccc2)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
CHEMBL53131 | 194572 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 491 | 10 | 2 | 2 | 7.0 | O=C(/C=C/c1ccc(-c2ccccc2)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
44296265 | 194572 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 491 | 10 | 2 | 2 | 7.0 | O=C(/C=C/c1ccc(-c2ccccc2)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL53131 | 194572 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 491 | 10 | 2 | 2 | 7.0 | O=C(/C=C/c1ccc(-c2ccccc2)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
44296265 | 194572 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 491 | 10 | 2 | 2 | 7.0 | O=C(/C=C/c1ccc(-c2ccccc2)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL53131 | 194572 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 491 | 10 | 2 | 2 | 7.0 | O=C(/C=C/c1ccc(-c2ccccc2)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
49798463 | 10565 | 0 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 454 | 5 | 1 | 6 | 4.9 | N#Cc1ccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cn1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1169995 | 10565 | 0 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 454 | 5 | 1 | 6 | 4.9 | N#Cc1ccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cn1 | 10.1016/j.bmcl.2010.04.142 | ||
49798289 | 10618 | 0 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 489 | 6 | 2 | 4 | 5.8 | O=C(O)c1c(F)cccc1Oc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1170391 | 10618 | 0 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 489 | 6 | 2 | 4 | 5.8 | O=C(O)c1c(F)cccc1Oc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
49798347 | 10543 | 0 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 403 | 6 | 2 | 4 | 4.6 | O=C(O)c1ccccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1169824 | 10543 | 0 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 403 | 6 | 2 | 4 | 4.6 | O=C(O)c1ccccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2010.04.142 | ||
49798323 | 10756 | 0 | None | - | 0 | Mouse | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 437 | 6 | 2 | 4 | 5.3 | O=C(O)c1ccccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1171760 | 10756 | 0 | None | - | 0 | Mouse | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 437 | 6 | 2 | 4 | 5.3 | O=C(O)c1ccccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
19430534 | 10740 | 0 | None | - | 0 | Mouse | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 471 | 6 | 2 | 4 | 5.7 | O=C(O)c1ccccc1Oc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1171586 | 10740 | 0 | None | - | 0 | Mouse | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 471 | 6 | 2 | 4 | 5.7 | O=C(O)c1ccccc1Oc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
57396690 | 69091 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 582 | 9 | 2 | 6 | 5.9 | O=C(NCCN1CCCCC1)c1ccccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924010 | 69091 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 582 | 9 | 2 | 6 | 5.9 | O=C(NCCN1CCCCC1)c1ccccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2011.10.038 | ||
57400128 | 69096 | 0 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 629 | 9 | 2 | 5 | 7.1 | Cc1cc(Oc2ccc(C(=O)NCCN3CCCCC3)cc2)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1Cl | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924015 | 69096 | 0 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 629 | 9 | 2 | 5 | 7.1 | Cc1cc(Oc2ccc(C(=O)NCCN3CCCCC3)cc2)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1Cl | 10.1016/j.bmcl.2011.10.038 | ||
44296501 | 101759 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 472 | 8 | 3 | 2 | 6.6 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)Nc1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00347-4 | ||
CHEMBL300025 | 101759 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 472 | 8 | 3 | 2 | 6.6 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)Nc1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00347-4 | ||
44296501 | 101759 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 472 | 8 | 3 | 2 | 6.6 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)Nc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL300025 | 101759 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 472 | 8 | 3 | 2 | 6.6 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)Nc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2007.12.072 | ||
44296501 | 101759 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 472 | 8 | 3 | 2 | 6.6 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)Nc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL300025 | 101759 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 472 | 8 | 3 | 2 | 6.6 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)Nc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2007.12.072 | ||
44296264 | 194571 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 471 | 9 | 2 | 2 | 6.6 | CC(C)(C)c1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/s0960-894x(00)00347-4 | ||
CHEMBL53130 | 194571 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 471 | 9 | 2 | 2 | 6.6 | CC(C)(C)c1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/s0960-894x(00)00347-4 | ||
44446951 | 94575 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 471 | 12 | 2 | 2 | 6.7 | CCCCc1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL252186 | 94575 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 471 | 12 | 2 | 2 | 6.7 | CCCCc1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/j.bmcl.2007.12.072 | ||
44446951 | 94575 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 471 | 12 | 2 | 2 | 6.7 | CCCCc1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL252186 | 94575 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 471 | 12 | 2 | 2 | 6.7 | CCCCc1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/j.bmcl.2007.12.072 | ||
49798438 | 10660 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 429 | 5 | 1 | 5 | 5.0 | O=S(=O)(Nc1cc(Cl)cnc1Oc1cccnc1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1170722 | 10660 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 429 | 5 | 1 | 5 | 5.0 | O=S(=O)(Nc1cc(Cl)cnc1Oc1cccnc1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
49798323 | 10756 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 437 | 6 | 2 | 4 | 5.3 | O=C(O)c1ccccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1171760 | 10756 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 437 | 6 | 2 | 4 | 5.3 | O=C(O)c1ccccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
49798464 | 10597 | 0 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 430 | 5 | 1 | 6 | 4.4 | O=S(=O)(Nc1cc(Cl)cnc1Oc1cccnn1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1170187 | 10597 | 0 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 430 | 5 | 1 | 6 | 4.4 | O=S(=O)(Nc1cc(Cl)cnc1Oc1cccnn1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
49798264 | 10755 | 0 | None | - | 0 | Mouse | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 403 | 6 | 2 | 4 | 4.6 | O=C(O)c1ccccc1Oc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1171758 | 10755 | 0 | None | - | 0 | Mouse | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 403 | 6 | 2 | 4 | 4.6 | O=C(O)c1ccccc1Oc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
57400129 | 69098 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 601 | 9 | 2 | 5 | 6.4 | O=C(NCCN1CCCC1)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924017 | 69098 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 601 | 9 | 2 | 5 | 6.4 | O=C(NCCN1CCCC1)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
57400125 | 69085 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 582 | 9 | 2 | 6 | 5.9 | O=C(NCCN1CCCCC1)c1ccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924004 | 69085 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 582 | 9 | 2 | 6 | 5.9 | O=C(NCCN1CCCCC1)c1ccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
57391450 | 69090 | 0 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 583 | 9 | 3 | 7 | 4.3 | O=C(NCCN1CCNCC1)c1cccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924009 | 69090 | 0 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 583 | 9 | 3 | 7 | 4.3 | O=C(NCCN1CCNCC1)c1cccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 | 10.1016/j.bmcl.2011.10.038 | ||
44296268 | 101816 | 0 | None | - | 0 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 513 | 9 | 3 | 3 | 6.7 | Cc1[nH]c2ccc(O)cc2c1C1CCN(CCCCCNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
CHEMBL300455 | 101816 | 0 | None | - | 0 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 513 | 9 | 3 | 3 | 6.7 | Cc1[nH]c2ccc(O)cc2c1C1CCN(CCCCCNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
57393496 | 69102 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 629 | 9 | 2 | 5 | 7.1 | Cc1cc(C(=O)NCCN2CCCCC2)ccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924021 | 69102 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 629 | 9 | 2 | 5 | 7.1 | Cc1cc(C(=O)NCCN2CCCCC2)ccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.10.038 | ||
57393497 | 69103 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 645 | 10 | 2 | 6 | 6.8 | COc1cc(C(=O)NCCN2CCCCC2)ccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924022 | 69103 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 645 | 10 | 2 | 6 | 6.8 | COc1cc(C(=O)NCCN2CCCCC2)ccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.10.038 | ||
49798437 | 10527 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 515 | 8 | 3 | 6 | 4.4 | O=C(NCCO)c1ccccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1169660 | 10527 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 515 | 8 | 3 | 6 | 4.4 | O=C(NCCO)c1ccccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
44296155 | 101475 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 455 | 7 | 2 | 2 | 5.9 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
CHEMBL297950 | 101475 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 455 | 7 | 2 | 2 | 5.9 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
44296155 | 101475 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 455 | 7 | 2 | 2 | 5.9 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL297950 | 101475 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 455 | 7 | 2 | 2 | 5.9 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
57391449 | 69087 | 0 | None | - | 0 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 583 | 9 | 3 | 7 | 4.3 | O=C(NCCN1CCNCC1)c1ccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924006 | 69087 | 0 | None | - | 0 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 583 | 9 | 3 | 7 | 4.3 | O=C(NCCN1CCNCC1)c1ccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
49798264 | 10755 | 0 | None | - | 0 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 403 | 6 | 2 | 4 | 4.6 | O=C(O)c1ccccc1Oc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1171758 | 10755 | 0 | None | - | 0 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 403 | 6 | 2 | 4 | 4.6 | O=C(O)c1ccccc1Oc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
49798292 | 10526 | 0 | None | - | 0 | Mouse | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 421 | 6 | 2 | 4 | 4.8 | O=C(O)c1ccccc1Oc1ccc(F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1169653 | 10526 | 0 | None | - | 0 | Mouse | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 421 | 6 | 2 | 4 | 4.8 | O=C(O)c1ccccc1Oc1ccc(F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
49798265 | 10696 | 0 | None | - | 0 | Mouse | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 489 | 6 | 2 | 4 | 5.8 | O=C(O)c1ccccc1Oc1c(F)cc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1171006 | 10696 | 0 | None | - | 0 | Mouse | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 489 | 6 | 2 | 4 | 5.8 | O=C(O)c1ccccc1Oc1c(F)cc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
57391450 | 69090 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 583 | 9 | 3 | 7 | 4.3 | O=C(NCCN1CCNCC1)c1cccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924009 | 69090 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 583 | 9 | 3 | 7 | 4.3 | O=C(NCCN1CCNCC1)c1cccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 | 10.1016/j.bmcl.2011.10.038 | ||
44296155 | 101475 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 455 | 7 | 2 | 2 | 5.9 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL297950 | 101475 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 455 | 7 | 2 | 2 | 5.9 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
57394939 | 69092 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 568 | 9 | 2 | 6 | 5.5 | O=C(NCCN1CCCC1)c1ccccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924011 | 69092 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 568 | 9 | 2 | 6 | 5.5 | O=C(NCCN1CCCC1)c1ccccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2011.10.038 | ||
44296269 | 194712 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 440 | 9 | 2 | 3 | 5.2 | N#Cc1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/s0960-894x(00)00347-4 | ||
CHEMBL53557 | 194712 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 440 | 9 | 2 | 3 | 5.2 | N#Cc1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/s0960-894x(00)00347-4 | ||
44296269 | 194712 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 440 | 9 | 2 | 3 | 5.2 | N#Cc1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL53557 | 194712 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 440 | 9 | 2 | 3 | 5.2 | N#Cc1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/j.bmcl.2007.12.072 | ||
44296287 | 101660 | 0 | None | - | 0 | Human | 5.5 | pKi | = | 5.5 | Functional | ChEMBL | 472 | 10 | 3 | 3 | 5.3 | CC(=O)Nc1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/s0960-894x(00)00347-4 | ||
CHEMBL299379 | 101660 | 0 | None | - | 0 | Human | 5.5 | pKi | = | 5.5 | Functional | ChEMBL | 472 | 10 | 3 | 3 | 5.3 | CC(=O)Nc1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/s0960-894x(00)00347-4 | ||
57400127 | 69095 | 0 | None | - | 0 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 616 | 9 | 2 | 6 | 6.2 | O=C(NCCN1CCCCC1)c1ccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924014 | 69095 | 0 | None | - | 0 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 616 | 9 | 2 | 6 | 6.2 | O=C(NCCN1CCCCC1)c1ccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
49798436 | 10672 | 0 | None | - | 0 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 472 | 6 | 2 | 5 | 5.3 | O=C(O)c1ccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1170829 | 10672 | 0 | None | - | 0 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 472 | 6 | 2 | 5 | 5.3 | O=C(O)c1ccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
49798349 | 10759 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1171786 | 10759 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
49798399 | 10668 | 0 | None | - | 0 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 438 | 6 | 2 | 5 | 4.7 | O=C(O)c1ccccc1Oc1ncccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1170801 | 10668 | 0 | None | - | 0 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 438 | 6 | 2 | 5 | 4.7 | O=C(O)c1ccccc1Oc1ncccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
49798265 | 10696 | 0 | None | - | 0 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 489 | 6 | 2 | 4 | 5.8 | O=C(O)c1ccccc1Oc1c(F)cc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1171006 | 10696 | 0 | None | - | 0 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 489 | 6 | 2 | 4 | 5.8 | O=C(O)c1ccccc1Oc1c(F)cc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
25110660 | 94767 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 525 | 6 | 3 | 3 | 6.7 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@H](CN2CCC(c3c[nH]c4ccc(O)cc34)CC2)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL253424 | 94767 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 525 | 6 | 3 | 3 | 6.7 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@H](CN2CCC(c3c[nH]c4ccc(O)cc34)CC2)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
25110660 | 94767 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 525 | 6 | 3 | 3 | 6.7 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@H](CN2CCC(c3c[nH]c4ccc(O)cc34)CC2)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL253424 | 94767 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 525 | 6 | 3 | 3 | 6.7 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@H](CN2CCC(c3c[nH]c4ccc(O)cc34)CC2)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
44296630 | 101338 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 493 | 9 | 2 | 2 | 6.1 | O=C(/C=C/c1ccc(Br)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
CHEMBL297033 | 101338 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 493 | 9 | 2 | 2 | 6.1 | O=C(/C=C/c1ccc(Br)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
44296630 | 101338 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 493 | 9 | 2 | 2 | 6.1 | O=C(/C=C/c1ccc(Br)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL297033 | 101338 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 493 | 9 | 2 | 2 | 6.1 | O=C(/C=C/c1ccc(Br)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
44296630 | 101338 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 493 | 9 | 2 | 2 | 6.1 | O=C(/C=C/c1ccc(Br)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL297033 | 101338 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 493 | 9 | 2 | 2 | 6.1 | O=C(/C=C/c1ccc(Br)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
44296366 | 189402 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2c[nH]c3cc(O)ccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
CHEMBL51332 | 189402 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2c[nH]c3cc(O)ccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
44296384 | 194910 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2c[nH]c3cccc(O)c23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
CHEMBL54192 | 194910 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2c[nH]c3cccc(O)c23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
49798292 | 10526 | 0 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 421 | 6 | 2 | 4 | 4.8 | O=C(O)c1ccccc1Oc1ccc(F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1169653 | 10526 | 0 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 421 | 6 | 2 | 4 | 4.8 | O=C(O)c1ccccc1Oc1ccc(F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
49798264 | 10755 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 403 | 6 | 2 | 4 | 4.6 | O=C(O)c1ccccc1Oc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1171758 | 10755 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 403 | 6 | 2 | 4 | 4.6 | O=C(O)c1ccccc1Oc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
49798264 | 10755 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 403 | 6 | 2 | 4 | 4.6 | O=C(O)c1ccccc1Oc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1171758 | 10755 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 403 | 6 | 2 | 4 | 4.6 | O=C(O)c1ccccc1Oc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
49798397 | 10666 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 439 | 6 | 2 | 6 | 4.1 | O=C(O)c1ccccc1Oc1ncncc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1170799 | 10666 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 439 | 6 | 2 | 6 | 4.1 | O=C(O)c1ccccc1Oc1ncncc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
49798351 | 10761 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 341 | 5 | 2 | 4 | 3.2 | CS(=O)(=O)Nc1cc(Cl)ccc1Oc1ccccc1C(=O)O | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1171788 | 10761 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 341 | 5 | 2 | 4 | 3.2 | CS(=O)(=O)Nc1cc(Cl)ccc1Oc1ccccc1C(=O)O | 10.1016/j.bmcl.2010.04.142 | ||
49798325 | 10774 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 437 | 6 | 2 | 4 | 5.3 | O=C(O)c1ccccc1Oc1c(Cl)cccc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1171938 | 10774 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 437 | 6 | 2 | 4 | 5.3 | O=C(O)c1ccccc1Oc1c(Cl)cccc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
57400420 | 69100 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 631 | 10 | 2 | 6 | 6.4 | COc1cc(Oc2ccc(C(=O)NCCN3CCCC3)cc2)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1Cl | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924019 | 69100 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 631 | 10 | 2 | 6 | 6.4 | COc1cc(Oc2ccc(C(=O)NCCN3CCCC3)cc2)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1Cl | 10.1016/j.bmcl.2011.10.038 | ||
57391449 | 69087 | 0 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 583 | 9 | 3 | 7 | 4.3 | O=C(NCCN1CCNCC1)c1ccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924006 | 69087 | 0 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 583 | 9 | 3 | 7 | 4.3 | O=C(NCCN1CCNCC1)c1ccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
44296087 | 101628 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 483 | 9 | 2 | 2 | 6.7 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
CHEMBL299153 | 101628 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 483 | 9 | 2 | 2 | 6.7 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
44296087 | 101628 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 483 | 9 | 2 | 2 | 6.7 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL299153 | 101628 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 483 | 9 | 2 | 2 | 6.7 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
44296344 | 162530 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 513 | 9 | 2 | 4 | 6.4 | Cn1cc(C2CCN(CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)c2cc(O)ccc21 | 10.1016/s0960-894x(00)00347-4 | ||
CHEMBL416833 | 162530 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 513 | 9 | 2 | 4 | 6.4 | Cn1cc(C2CCN(CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)c2cc(O)ccc21 | 10.1016/s0960-894x(00)00347-4 | ||
44296087 | 101628 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 483 | 9 | 2 | 2 | 6.7 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL299153 | 101628 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 483 | 9 | 2 | 2 | 6.7 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
44296469 | 194735 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 471 | 9 | 2 | 2 | 6.2 | O=C(Cc1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
CHEMBL53779 | 194735 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 471 | 9 | 2 | 2 | 6.2 | O=C(Cc1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
44296409 | 194803 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 449 | 9 | 2 | 2 | 6.0 | O=C(/C=C/c1ccccc1Cl)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
CHEMBL53930 | 194803 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 449 | 9 | 2 | 2 | 6.0 | O=C(/C=C/c1ccccc1Cl)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
44296469 | 194735 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 471 | 9 | 2 | 2 | 6.2 | O=C(Cc1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL53779 | 194735 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 471 | 9 | 2 | 2 | 6.2 | O=C(Cc1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
44296409 | 194803 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 449 | 9 | 2 | 2 | 6.0 | O=C(/C=C/c1ccccc1Cl)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL53930 | 194803 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 449 | 9 | 2 | 2 | 6.0 | O=C(/C=C/c1ccccc1Cl)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
44296469 | 194735 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 471 | 9 | 2 | 2 | 6.2 | O=C(Cc1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL53779 | 194735 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 471 | 9 | 2 | 2 | 6.2 | O=C(Cc1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
44296409 | 194803 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 449 | 9 | 2 | 2 | 6.0 | O=C(/C=C/c1ccccc1Cl)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL53930 | 194803 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 449 | 9 | 2 | 2 | 6.0 | O=C(/C=C/c1ccccc1Cl)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
44296629 | 101652 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 541 | 9 | 2 | 2 | 6.0 | O=C(/C=C/c1ccc(I)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
CHEMBL299322 | 101652 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 541 | 9 | 2 | 2 | 6.0 | O=C(/C=C/c1ccc(I)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
44296629 | 101652 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 541 | 9 | 2 | 2 | 6.0 | O=C(/C=C/c1ccc(I)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL299322 | 101652 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 541 | 9 | 2 | 2 | 6.0 | O=C(/C=C/c1ccc(I)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
44296629 | 101652 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 541 | 9 | 2 | 2 | 6.0 | O=C(/C=C/c1ccc(I)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL299322 | 101652 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 541 | 9 | 2 | 2 | 6.0 | O=C(/C=C/c1ccc(I)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
49798350 | 10760 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 443 | 6 | 2 | 5 | 5.3 | O=C(O)c1ccccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)s1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1171787 | 10760 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 443 | 6 | 2 | 5 | 5.3 | O=C(O)c1ccccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)s1 | 10.1016/j.bmcl.2010.04.142 | ||
10436045 | 3490 | 4 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1016/s0960-894x(00)00347-4 | ||
782 | 3490 | 4 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1016/s0960-894x(00)00347-4 | ||
CHEMBL432713 | 3490 | 4 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1016/s0960-894x(00)00347-4 | ||
10436045 | 3490 | 4 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2007.12.072 | ||
782 | 3490 | 4 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL432713 | 3490 | 4 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2007.12.072 | ||
49798398 | 10667 | 0 | None | - | 0 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 438 | 6 | 2 | 5 | 4.7 | O=C(O)c1ccccc1Oc1cnccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1170800 | 10667 | 0 | None | - | 0 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 438 | 6 | 2 | 5 | 4.7 | O=C(O)c1ccccc1Oc1cnccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
49798489 | 10701 | 0 | None | - | 0 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 434 | 5 | 1 | 6 | 4.6 | Cc1ncccc1Oc1ncc(C#N)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1171035 | 10701 | 0 | None | - | 0 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 434 | 5 | 1 | 6 | 4.6 | Cc1ncccc1Oc1ncc(C#N)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
10436045 | 3490 | 4 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2007.12.072 | ||
782 | 3490 | 4 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL432713 | 3490 | 4 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2007.12.072 | ||
49798325 | 10774 | 0 | None | - | 0 | Mouse | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 437 | 6 | 2 | 4 | 5.3 | O=C(O)c1ccccc1Oc1c(Cl)cccc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1171938 | 10774 | 0 | None | - | 0 | Mouse | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 437 | 6 | 2 | 4 | 5.3 | O=C(O)c1ccccc1Oc1c(Cl)cccc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
25110679 | 168128 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 457 | 8 | 2 | 2 | 6.3 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00347-4 | ||
CHEMBL433081 | 168128 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 457 | 8 | 2 | 2 | 6.3 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00347-4 | ||
25110679 | 168128 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 457 | 8 | 2 | 2 | 6.3 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL433081 | 168128 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 457 | 8 | 2 | 2 | 6.3 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2007.12.072 | ||
25110679 | 168128 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 457 | 8 | 2 | 2 | 6.3 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL433081 | 168128 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 457 | 8 | 2 | 2 | 6.3 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2007.12.072 | ||
44296428 | 101734 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 449 | 9 | 2 | 2 | 6.0 | O=C(/C=C/c1ccc(Cl)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
CHEMBL299855 | 101734 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 449 | 9 | 2 | 2 | 6.0 | O=C(/C=C/c1ccc(Cl)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
44296428 | 101734 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 449 | 9 | 2 | 2 | 6.0 | O=C(/C=C/c1ccc(Cl)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL299855 | 101734 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 449 | 9 | 2 | 2 | 6.0 | O=C(/C=C/c1ccc(Cl)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
44296428 | 101734 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 449 | 9 | 2 | 2 | 6.0 | O=C(/C=C/c1ccc(Cl)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL299855 | 101734 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 449 | 9 | 2 | 2 | 6.0 | O=C(/C=C/c1ccc(Cl)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
25110564 | 194750 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 465 | 9 | 2 | 2 | 6.6 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)c1ccc(-c2ccccc2)cc1 | 10.1016/s0960-894x(00)00347-4 | ||
CHEMBL53819 | 194750 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 465 | 9 | 2 | 2 | 6.6 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)c1ccc(-c2ccccc2)cc1 | 10.1016/s0960-894x(00)00347-4 | ||
25110564 | 194750 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 465 | 9 | 2 | 2 | 6.6 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)c1ccc(-c2ccccc2)cc1 | 10.1016/s0960-894x(00)00347-4 | ||
CHEMBL53819 | 194750 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 465 | 9 | 2 | 2 | 6.6 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)c1ccc(-c2ccccc2)cc1 | 10.1016/s0960-894x(00)00347-4 | ||
25110564 | 194750 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 465 | 9 | 2 | 2 | 6.6 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)c1ccc(-c2ccccc2)cc1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL53819 | 194750 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 465 | 9 | 2 | 2 | 6.6 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)c1ccc(-c2ccccc2)cc1 | 10.1016/j.bmcl.2007.12.072 | ||
25110564 | 194750 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 465 | 9 | 2 | 2 | 6.6 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)c1ccc(-c2ccccc2)cc1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL53819 | 194750 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 465 | 9 | 2 | 2 | 6.6 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)c1ccc(-c2ccccc2)cc1 | 10.1016/j.bmcl.2007.12.072 | ||
44296398 | 188266 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 429 | 9 | 2 | 2 | 5.7 | Cc1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/s0960-894x(00)00347-4 | ||
CHEMBL50025 | 188266 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 429 | 9 | 2 | 2 | 5.7 | Cc1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/s0960-894x(00)00347-4 | ||
44296398 | 188266 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 429 | 9 | 2 | 2 | 5.7 | Cc1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL50025 | 188266 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 429 | 9 | 2 | 2 | 5.7 | Cc1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/j.bmcl.2007.12.072 | ||
44296410 | 194696 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 449 | 9 | 2 | 2 | 6.0 | O=C(/C=C/c1cccc(Cl)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
CHEMBL53476 | 194696 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 449 | 9 | 2 | 2 | 6.0 | O=C(/C=C/c1cccc(Cl)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
44296410 | 194696 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 449 | 9 | 2 | 2 | 6.0 | O=C(/C=C/c1cccc(Cl)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL53476 | 194696 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 449 | 9 | 2 | 2 | 6.0 | O=C(/C=C/c1cccc(Cl)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
44296398 | 188266 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 429 | 9 | 2 | 2 | 5.7 | Cc1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL50025 | 188266 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 429 | 9 | 2 | 2 | 5.7 | Cc1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/j.bmcl.2007.12.072 | ||
44296410 | 194696 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 449 | 9 | 2 | 2 | 6.0 | O=C(/C=C/c1cccc(Cl)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL53476 | 194696 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 449 | 9 | 2 | 2 | 6.0 | O=C(/C=C/c1cccc(Cl)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
10940216 | 191184 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 513 | 10 | 2 | 3 | 6.7 | COc1ccc2[nH]cc(C3CCN(CCCCCNC(=O)/C=C/c4ccc(Cl)c(Cl)c4)CC3)c2c1 | 10.1016/s0960-894x(00)00347-4 | ||
CHEMBL51895 | 191184 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 513 | 10 | 2 | 3 | 6.7 | COc1ccc2[nH]cc(C3CCN(CCCCCNC(=O)/C=C/c4ccc(Cl)c(Cl)c4)CC3)c2c1 | 10.1016/s0960-894x(00)00347-4 | ||
44296077 | 101857 | 0 | None | - | 0 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 485 | 10 | 2 | 2 | 6.6 | O=C(CCc1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
CHEMBL300744 | 101857 | 0 | None | - | 0 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 485 | 10 | 2 | 2 | 6.6 | O=C(CCc1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
44296077 | 101857 | 0 | None | - | 0 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 485 | 10 | 2 | 2 | 6.6 | O=C(CCc1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL300744 | 101857 | 0 | None | - | 0 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 485 | 10 | 2 | 2 | 6.6 | O=C(CCc1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
44180522 | 69105 | 0 | None | - | 0 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 631 | 10 | 2 | 6 | 6.4 | COc1cc(C(=O)NCCN2CCCC2)ccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924024 | 69105 | 0 | None | - | 0 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 631 | 10 | 2 | 6 | 6.4 | COc1cc(C(=O)NCCN2CCCC2)ccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.10.038 | ||
57393219 | 69093 | 0 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 581 | 9 | 2 | 5 | 6.5 | O=C(NCCN1CCCCC1)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924012 | 69093 | 0 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 581 | 9 | 2 | 5 | 6.5 | O=C(NCCN1CCCCC1)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
57393495 | 69101 | 0 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 637 | 9 | 2 | 5 | 6.7 | O=C(NCCN1CCC(F)(F)C1)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924020 | 69101 | 0 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 637 | 9 | 2 | 5 | 6.7 | O=C(NCCN1CCC(F)(F)C1)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
57400126 | 69086 | 0 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 568 | 9 | 2 | 6 | 5.5 | O=C(NCCN1CCCC1)c1ccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924005 | 69086 | 0 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 568 | 9 | 2 | 6 | 5.5 | O=C(NCCN1CCCC1)c1ccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
49798265 | 10696 | 0 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 489 | 6 | 2 | 4 | 5.8 | O=C(O)c1ccccc1Oc1c(F)cc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1171006 | 10696 | 0 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 489 | 6 | 2 | 4 | 5.8 | O=C(O)c1ccccc1Oc1c(F)cc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
49798291 | 10525 | 0 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 428 | 6 | 2 | 5 | 4.5 | N#Cc1ccc(Oc2ccccc2C(=O)O)c(NS(=O)(=O)c2ccc(Cl)cc2)c1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1169652 | 10525 | 0 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 428 | 6 | 2 | 5 | 4.5 | N#Cc1ccc(Oc2ccccc2C(=O)O)c(NS(=O)(=O)c2ccc(Cl)cc2)c1 | 10.1016/j.bmcl.2010.04.142 | ||
49798326 | 10714 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 417 | 6 | 2 | 4 | 4.9 | Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(Oc2ccccc2C(=O)O)c1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1171207 | 10714 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 417 | 6 | 2 | 4 | 4.9 | Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(Oc2ccccc2C(=O)O)c1 | 10.1016/j.bmcl.2010.04.142 | ||
49798326 | 10714 | 0 | None | - | 0 | Mouse | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 417 | 6 | 2 | 4 | 4.9 | Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(Oc2ccccc2C(=O)O)c1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1171207 | 10714 | 0 | None | - | 0 | Mouse | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 417 | 6 | 2 | 4 | 4.9 | Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(Oc2ccccc2C(=O)O)c1 | 10.1016/j.bmcl.2010.04.142 | ||
44296309 | 188604 | 0 | None | - | 0 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 431 | 9 | 3 | 3 | 5.1 | O=C(/C=C/c1ccc(O)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
CHEMBL50301 | 188604 | 0 | None | - | 0 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 431 | 9 | 3 | 3 | 5.1 | O=C(/C=C/c1ccc(O)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
44296309 | 188604 | 0 | None | - | 0 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 431 | 9 | 3 | 3 | 5.1 | O=C(/C=C/c1ccc(O)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL50301 | 188604 | 0 | None | - | 0 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 431 | 9 | 3 | 3 | 5.1 | O=C(/C=C/c1ccc(O)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
44296309 | 188604 | 0 | None | - | 0 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 431 | 9 | 3 | 3 | 5.1 | O=C(/C=C/c1ccc(O)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL50301 | 188604 | 0 | None | - | 0 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 431 | 9 | 3 | 3 | 5.1 | O=C(/C=C/c1ccc(O)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
9870980 | 204262 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 509 | 6 | 2 | 2 | 7.0 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@H](CN2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL71297 | 204262 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 509 | 6 | 2 | 2 | 7.0 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@H](CN2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
57394939 | 69092 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 568 | 9 | 2 | 6 | 5.5 | O=C(NCCN1CCCC1)c1ccccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924011 | 69092 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 568 | 9 | 2 | 6 | 5.5 | O=C(NCCN1CCCC1)c1ccccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2011.10.038 | ||
9870980 | 204262 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 509 | 6 | 2 | 2 | 7.0 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@H](CN2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL71297 | 204262 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 509 | 6 | 2 | 2 | 7.0 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@H](CN2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
44296154 | 189130 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 469 | 8 | 2 | 2 | 6.3 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
CHEMBL51094 | 189130 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 469 | 8 | 2 | 2 | 6.3 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
44296154 | 189130 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 469 | 8 | 2 | 2 | 6.3 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL51094 | 189130 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 469 | 8 | 2 | 2 | 6.3 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
44296154 | 189130 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 469 | 8 | 2 | 2 | 6.3 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL51094 | 189130 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 469 | 8 | 2 | 2 | 6.3 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
49798348 | 10743 | 0 | None | - | 0 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 437 | 6 | 2 | 4 | 5.3 | O=C(O)c1ccccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1171614 | 10743 | 0 | None | - | 0 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 437 | 6 | 2 | 4 | 5.3 | O=C(O)c1ccccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
25110678 | 194524 | 0 | None | - | 0 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 467 | 8 | 2 | 2 | 5.7 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)c1ccc(Br)cc1 | 10.1016/s0960-894x(00)00347-4 | ||
CHEMBL52956 | 194524 | 0 | None | - | 0 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 467 | 8 | 2 | 2 | 5.7 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)c1ccc(Br)cc1 | 10.1016/s0960-894x(00)00347-4 | ||
25110678 | 194524 | 0 | None | - | 0 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 467 | 8 | 2 | 2 | 5.7 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)c1ccc(Br)cc1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL52956 | 194524 | 0 | None | - | 0 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 467 | 8 | 2 | 2 | 5.7 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)c1ccc(Br)cc1 | 10.1016/j.bmcl.2007.12.072 | ||
25110678 | 194524 | 0 | None | - | 0 | Human | 5.1 | pKi | = | 5.1 | Functional | ChEMBL | 467 | 8 | 2 | 2 | 5.7 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)c1ccc(Br)cc1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL52956 | 194524 | 0 | None | - | 0 | Human | 5.1 | pKi | = | 5.1 | Functional | ChEMBL | 467 | 8 | 2 | 2 | 5.7 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)c1ccc(Br)cc1 | 10.1016/j.bmcl.2007.12.072 | ||
44296137 | 101549 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 576 | 11 | 3 | 4 | 6.0 | CS(=O)(=O)Nc1ccc2[nH]cc(C3CCN(CCCCCNC(=O)/C=C/c4ccc(Cl)c(Cl)c4)CC3)c2c1 | 10.1016/s0960-894x(00)00347-4 | ||
CHEMBL298562 | 101549 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 576 | 11 | 3 | 4 | 6.0 | CS(=O)(=O)Nc1ccc2[nH]cc(C3CCN(CCCCCNC(=O)/C=C/c4ccc(Cl)c(Cl)c4)CC3)c2c1 | 10.1016/s0960-894x(00)00347-4 | ||
25110660 | 154848 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 525 | 6 | 3 | 3 | 6.7 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](CN2CCC(c3c[nH]c4ccc(O)cc34)CC2)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL400698 | 154848 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 525 | 6 | 3 | 3 | 6.7 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](CN2CCC(c3c[nH]c4ccc(O)cc34)CC2)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
57393218 | 69088 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 582 | 9 | 2 | 6 | 5.9 | O=C(NCCN1CCCCC1)c1cccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924007 | 69088 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 582 | 9 | 2 | 6 | 5.9 | O=C(NCCN1CCCCC1)c1cccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 | 10.1016/j.bmcl.2011.10.038 | ||
15985912 | 83946 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 416 | 5 | 1 | 5 | 4.1 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
CHEMBL2207081 | 83946 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 416 | 5 | 1 | 5 | 4.1 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
71214709 | 83949 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 431 | 5 | 1 | 6 | 3.8 | Cc1nnnn1Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
CHEMBL2207084 | 83949 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 431 | 5 | 1 | 6 | 3.8 | Cc1nnnn1Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
71214709 | 83949 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 431 | 5 | 1 | 6 | 3.8 | Cc1nnnn1Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
CHEMBL2207084 | 83949 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 431 | 5 | 1 | 6 | 3.8 | Cc1nnnn1Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
25110660 | 154848 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 525 | 6 | 3 | 3 | 6.7 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](CN2CCC(c3c[nH]c4ccc(O)cc34)CC2)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL400698 | 154848 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 525 | 6 | 3 | 3 | 6.7 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](CN2CCC(c3c[nH]c4ccc(O)cc34)CC2)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
44296628 | 188691 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 483 | 9 | 2 | 2 | 6.4 | O=C(/C=C/c1cccc(C(F)(F)F)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
CHEMBL50460 | 188691 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 483 | 9 | 2 | 2 | 6.4 | O=C(/C=C/c1cccc(C(F)(F)F)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
44296266 | 194830 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 429 | 9 | 2 | 2 | 5.7 | Cc1cccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)c1 | 10.1016/s0960-894x(00)00347-4 | ||
CHEMBL53991 | 194830 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 429 | 9 | 2 | 2 | 5.7 | Cc1cccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)c1 | 10.1016/s0960-894x(00)00347-4 | ||
44296628 | 188691 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 483 | 9 | 2 | 2 | 6.4 | O=C(/C=C/c1cccc(C(F)(F)F)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL50460 | 188691 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 483 | 9 | 2 | 2 | 6.4 | O=C(/C=C/c1cccc(C(F)(F)F)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
44296266 | 194830 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 429 | 9 | 2 | 2 | 5.7 | Cc1cccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)c1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL53991 | 194830 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 429 | 9 | 2 | 2 | 5.7 | Cc1cccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)c1 | 10.1016/j.bmcl.2007.12.072 | ||
57396690 | 69091 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 582 | 9 | 2 | 6 | 5.9 | O=C(NCCN1CCCCC1)c1ccccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924010 | 69091 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 582 | 9 | 2 | 6 | 5.9 | O=C(NCCN1CCCCC1)c1ccccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2011.10.038 | ||
49798396 | 10726 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 439 | 6 | 2 | 6 | 4.1 | O=C(O)c1ccccc1Oc1nccnc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1171398 | 10726 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 439 | 6 | 2 | 6 | 4.1 | O=C(O)c1ccccc1Oc1nccnc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
19430534 | 10740 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 471 | 6 | 2 | 4 | 5.7 | O=C(O)c1ccccc1Oc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
CHEMBL1171586 | 10740 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 471 | 6 | 2 | 4 | 5.7 | O=C(O)c1ccccc1Oc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
44296628 | 188691 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 483 | 9 | 2 | 2 | 6.4 | O=C(/C=C/c1cccc(C(F)(F)F)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL50460 | 188691 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 483 | 9 | 2 | 2 | 6.4 | O=C(/C=C/c1cccc(C(F)(F)F)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
44296266 | 194830 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 429 | 9 | 2 | 2 | 5.7 | Cc1cccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)c1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL53991 | 194830 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 429 | 9 | 2 | 2 | 5.7 | Cc1cccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)c1 | 10.1016/j.bmcl.2007.12.072 | ||
57397001 | 69099 | 0 | None | - | 0 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 615 | 9 | 2 | 5 | 6.7 | Cc1cc(Oc2ccc(C(=O)NCCN3CCCC3)cc2)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1Cl | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924018 | 69099 | 0 | None | - | 0 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 615 | 9 | 2 | 5 | 6.7 | Cc1cc(Oc2ccc(C(=O)NCCN3CCCC3)cc2)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1Cl | 10.1016/j.bmcl.2011.10.038 | ||
57395221 | 69104 | 0 | None | - | 0 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 615 | 9 | 2 | 5 | 6.7 | Cc1cc(C(=O)NCCN2CCCC2)ccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.10.038 | ||
CHEMBL1924023 | 69104 | 0 | None | - | 0 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 615 | 9 | 2 | 5 | 6.7 | Cc1cc(C(=O)NCCN2CCCC2)ccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.10.038 | ||
44296429 | 194683 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 415 | 9 | 2 | 2 | 5.3 | O=C(/C=C/c1ccccc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
CHEMBL53402 | 194683 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 415 | 9 | 2 | 2 | 5.3 | O=C(/C=C/c1ccccc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
44296429 | 194683 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 415 | 9 | 2 | 2 | 5.3 | O=C(/C=C/c1ccccc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL53402 | 194683 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 415 | 9 | 2 | 2 | 5.3 | O=C(/C=C/c1ccccc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
44296429 | 194683 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 415 | 9 | 2 | 2 | 5.3 | O=C(/C=C/c1ccccc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
CHEMBL53402 | 194683 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 415 | 9 | 2 | 2 | 5.3 | O=C(/C=C/c1ccccc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
8921 | 3116 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | Guide to Pharmacology | None | None | None | None | None | ||||
11185 | 1978 | 42 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | 495 | 5 | 2 | 6 | 4.4 | Cc1cnc(c(c1)NS(=O)(=O)c1ccc(c(c1)C(F)(F)F)Cl)C(=O)c1ncnc2c1cc[nH]2 | None | ||
25134303 | 1978 | 42 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | 495 | 5 | 2 | 6 | 4.4 | Cc1cnc(c(c1)NS(=O)(=O)c1ccc(c(c1)C(F)(F)F)Cl)C(=O)c1ncnc2c1cc[nH]2 | None | ||
CHEMBL2178573 | 1978 | 42 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | 495 | 5 | 2 | 6 | 4.4 | Cc1cnc(c(c1)NS(=O)(=O)c1ccc(c(c1)C(F)(F)F)Cl)C(=O)c1ncnc2c1cc[nH]2 | None | ||
DB16066 | 1978 | 42 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | 495 | 5 | 2 | 6 | 4.4 | Cc1cnc(c(c1)NS(=O)(=O)c1ccc(c(c1)C(F)(F)F)Cl)C(=O)c1ncnc2c1cc[nH]2 | None | ||
769 | 822 | 0 | None | -28 | 3 | Human | 7.4 | pIC50 | = | 7.4 | Functional | Guide to Pharmacology | None | None | None | None | 12554737 | ||||
769 | 822 | 0 | None | -28 | 3 | Human | 7.4 | pIC50 | = | 7.4 | Functional | Guide to Pharmacology | None | None | None | None | 15207250 | ||||
11192346 | 2011 | 57 | None | 1 | 3 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 24900280 | ||
9032 | 2011 | 57 | None | 1 | 3 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 24900280 | ||
CHEMBL2029422 | 2011 | 57 | None | 1 | 3 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 24900280 | ||
11527661 | 2008 | 30 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | Guide to Pharmacology | 520 | 7 | 3 | 6 | 2.9 | COc1ccc(cn1)C1(O)CCC(CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F | 24900329 | ||
9045 | 2008 | 30 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | Guide to Pharmacology | 520 | 7 | 3 | 6 | 2.9 | COc1ccc(cn1)C1(O)CCC(CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F | 24900329 | ||
CHEMBL1963131 | 2008 | 30 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | Guide to Pharmacology | 520 | 7 | 3 | 6 | 2.9 | COc1ccc(cn1)C1(O)CCC(CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F | 24900329 | ||
776 | 850 | 0 | None | 1 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | Guide to Pharmacology | None | None | None | None | 15207250 | ||||
759 | 864 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | Guide to Pharmacology | None | None | None | None | 12554737 | ||||
759 | 864 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | Guide to Pharmacology | None | None | None | None | 9276730 | ||||
759 | 864 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | Guide to Pharmacology | None | None | None | None | 9346309 | ||||
11597 | 671 | 5 | None | 11 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Functional | Guide to Pharmacology | 506 | 5 | 3 | 6 | 3.5 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)NC(C)(C)C | 34141082 | ||
23725180 | 671 | 5 | None | 11 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Functional | Guide to Pharmacology | 506 | 5 | 3 | 6 | 3.5 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)NC(C)(C)C | 34141082 | ||
CHEMBL4781426 | 671 | 5 | None | 11 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Functional | Guide to Pharmacology | 506 | 5 | 3 | 6 | 3.5 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)NC(C)(C)C | 34141082 | ||
46213922 | 544 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | Guide to Pharmacology | 411 | 3 | 2 | 4 | 1.8 | O=C(N1CCN(CC1)C(=O)[C@@H]1NCCN(C1)C(C)C)Nc1ccc(c(c1)F)Cl | None | ||
57656761 | 544 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | Guide to Pharmacology | 411 | 3 | 2 | 4 | 1.8 | O=C(N1CCN(CC1)C(=O)[C@@H]1NCCN(C1)C(C)C)Nc1ccc(c(c1)F)Cl | None | ||
7825 | 544 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | Guide to Pharmacology | 411 | 3 | 2 | 4 | 1.8 | O=C(N1CCN(CC1)C(=O)[C@@H]1NCCN(C1)C(C)C)Nc1ccc(c(c1)F)Cl | None | ||
772 | 866 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | Guide to Pharmacology | None | None | None | None | 12554737 | ||||
770 | 825 | 0 | None | -7 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | Guide to Pharmacology | None | None | None | None | 12554737 | ||||
770 | 825 | 0 | None | -7 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | Guide to Pharmacology | None | None | None | None | 9276730 | ||||
68764898 | 669 | 2 | None | 3 | 2 | Human | 9.2 | pIC50 | = | 9.2 | Functional | Guide to Pharmacology | 491 | 7 | 1 | 5 | 5.3 | CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 25893046 | ||
9430 | 669 | 2 | None | 3 | 2 | Human | 9.2 | pIC50 | = | 9.2 | Functional | Guide to Pharmacology | 491 | 7 | 1 | 5 | 5.3 | CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 25893046 | ||
CHEMBL3577945 | 669 | 2 | None | 3 | 2 | Human | 9.2 | pIC50 | = | 9.2 | Functional | Guide to Pharmacology | 491 | 7 | 1 | 5 | 5.3 | CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 25893046 | ||
771 | 834 | 0 | None | - | 1 | Human | 9.8 | pIC50 | = | 9.8 | Functional | Guide to Pharmacology | None | None | None | None | 10770925 | ||||
771 | 834 | 0 | None | - | 1 | Human | 9.8 | pIC50 | = | 9.8 | Functional | Guide to Pharmacology | None | None | None | None | 12554737 | ||||
771 | 834 | 0 | None | - | 1 | Human | 9.8 | pIC50 | = | 9.8 | Functional | Guide to Pharmacology | None | None | None | None | 15207250 | ||||
771 | 834 | 0 | None | - | 1 | Human | 9.8 | pIC50 | = | 9.8 | Functional | Guide to Pharmacology | None | None | None | None | 9276730 | ||||
771 | 834 | 0 | None | - | 1 | Human | 9.8 | pIC50 | = | 9.8 | Functional | Guide to Pharmacology | None | None | None | None | 9346309 | ||||
775 | 847 | 0 | None | -316 | 2 | Human | 6.2 | pIC50 | None | 6.2 | Functional | Guide to Pharmacology | None | None | None | None | 15207250 | ||||
10000456 | 3364 | 33 | None | 1 | 2 | Human | 6.3 | pIC50 | None | 6.3 | Functional | Guide to Pharmacology | 390 | 3 | 1 | 3 | 4.8 | O=C1Nc2ccccc2C2(O1)CCN(CC2)CCc1ccc(cc1)C(F)(F)F | 10770925 | ||
779 | 3364 | 33 | None | 1 | 2 | Human | 6.3 | pIC50 | None | 6.3 | Functional | Guide to Pharmacology | 390 | 3 | 1 | 3 | 4.8 | O=C1Nc2ccccc2C2(O1)CCN(CC2)CCc1ccc(cc1)C(F)(F)F | 10770925 | ||
CHEMBL1593104 | 3364 | 33 | None | 1 | 2 | Human | 6.3 | pIC50 | None | 6.3 | Functional | Guide to Pharmacology | 390 | 3 | 1 | 3 | 4.8 | O=C1Nc2ccccc2C2(O1)CCN(CC2)CCc1ccc(cc1)C(F)(F)F | 10770925 | ||
774 | 3946 | 0 | None | - | 1 | Human | 7.1 | pIC50 | None | 7.1 | Functional | Guide to Pharmacology | None | None | None | None | 12554737 | ||||
10008367 | 2009 | 50 | None | -2 | 3 | Mouse | 8.0 | pIC50 | None | 8 | Functional | Guide to Pharmacology | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@@H]1CC[C@](CC1)(O)c1ccc2c(c1)OCO2 | 16210643 | ||
777 | 2009 | 50 | None | -2 | 3 | Mouse | 8.0 | pIC50 | None | 8 | Functional | Guide to Pharmacology | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@@H]1CC[C@](CC1)(O)c1ccc2c(c1)OCO2 | 16210643 | ||
CHEMBL1289316 | 2009 | 50 | None | -2 | 3 | Mouse | 8.0 | pIC50 | None | 8 | Functional | Guide to Pharmacology | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@@H]1CC[C@](CC1)(O)c1ccc2c(c1)OCO2 | 16210643 | ||
CHEMBL2426341 | 2009 | 50 | None | -2 | 3 | Mouse | 8.0 | pIC50 | None | 8 | Functional | Guide to Pharmacology | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@@H]1CC[C@](CC1)(O)c1ccc2c(c1)OCO2 | 16210643 | ||
773 | 1924 | 0 | None | 12 | 2 | Human | 8.3 | pIC50 | None | 8.3 | Functional | Guide to Pharmacology | None | None | None | None | 9789057 | ||||
5071702 | 3367 | 0 | None | - | 1 | Human | 8.5 | pIC50 | None | 8.5 | Functional | Guide to Pharmacology | 235 | 3 | 1 | 2 | 2.9 | Clc1cccc(c1)Cn1cccc1C(=O)O | 10770925 | ||
780 | 3367 | 0 | None | - | 1 | Human | 8.5 | pIC50 | None | 8.5 | Functional | Guide to Pharmacology | 235 | 3 | 1 | 2 | 2.9 | Clc1cccc(c1)Cn1cccc1C(=O)O | 10770925 | ||
778 | 2451 | 0 | None | - | 1 | Human | 8.8 | pIC50 | None | 8.8 | Functional | Guide to Pharmacology | None | None | None | None | 9600978 | ||||
486830 | 3971 | 0 | None | 6 | 5 | Human | 9.1 | pIC50 | None | 9.1 | Functional | Guide to Pharmacology | None | None | None | None | 9287217 | ||||
768 | 3971 | 0 | None | 6 | 5 | Human | 9.1 | pIC50 | None | 9.1 | Functional | Guide to Pharmacology | None | None | None | None | 9287217 |
Ligands | Receptor | Assay information | Chemical information | ||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sel. page | Common name |
GPCRdb ID | #Vendors | Reference ligand |
Fold selectivity (Affinity) |
# tested GPCRs (Affinity) |
Species | p-value (-log) |
Type | Activity Relation |
Activity Value |
Assay Type | Assay Description | Source | Mol weight |
Rot Bonds |
H don | H acc | LogP | Smiles | DOI |
183790 | 3715 | 11 | None | -6 | 2 | Human | 10.5 | pIC50 | = | 10.5 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1074/jbc.m705302200 | ||
783 | 3715 | 11 | None | -6 | 2 | Human | 10.5 | pIC50 | = | 10.5 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1074/jbc.m705302200 | ||
CHEMBL1178786 | 3715 | 11 | None | -6 | 2 | Human | 10.5 | pIC50 | = | 10.5 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1074/jbc.m705302200 | ||
4410 | 3115 | 106 | None | - | 1 | Human | 10.4 | pIC50 | = | 10.4 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m705302200 | ||
65015 | 3115 | 106 | None | - | 1 | Human | 10.4 | pIC50 | = | 10.4 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m705302200 | ||
844 | 3115 | 106 | None | - | 1 | Human | 10.4 | pIC50 | = | 10.4 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m705302200 | ||
CHEMBL18442 | 3115 | 106 | None | - | 1 | Human | 10.4 | pIC50 | = | 10.4 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m705302200 | ||
DB06809 | 3115 | 106 | None | - | 1 | Human | 10.4 | pIC50 | = | 10.4 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m705302200 | ||
183790 | 3715 | 11 | None | -6 | 2 | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1074/jbc.m705302200 | ||
783 | 3715 | 11 | None | -6 | 2 | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1074/jbc.m705302200 | ||
CHEMBL1178786 | 3715 | 11 | None | -6 | 2 | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1074/jbc.m705302200 | ||
4410 | 3115 | 106 | None | - | 1 | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m705302200 | ||
65015 | 3115 | 106 | None | - | 1 | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m705302200 | ||
844 | 3115 | 106 | None | - | 1 | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m705302200 | ||
CHEMBL18442 | 3115 | 106 | None | - | 1 | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m705302200 | ||
DB06809 | 3115 | 106 | None | - | 1 | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m705302200 | ||
68767577 | 109789 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 545 | 8 | 1 | 5 | 3.7 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)C(C)C)C1 | 10.1016/j.bmcl.2014.02.013 | ||
CHEMBL3233186 | 109789 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 545 | 8 | 1 | 5 | 3.7 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)C(C)C)C1 | 10.1016/j.bmcl.2014.02.013 | ||
68988296 | 109791 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 559 | 7 | 1 | 5 | 4.1 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)C(C)(C)C)C1 | 10.1016/j.bmcl.2014.02.013 | ||
CHEMBL3233188 | 109791 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 559 | 7 | 1 | 5 | 4.1 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)C(C)(C)C)C1 | 10.1016/j.bmcl.2014.02.013 | ||
11627840 | 95670 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 525 | 6 | 2 | 3 | 6.0 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
CHEMBL258205 | 95670 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 525 | 6 | 2 | 3 | 6.0 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
68764898 | 669 | 2 | None | - | 3 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 491 | 7 | 1 | 5 | 5.3 | CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/ml500505q | ||
9430 | 669 | 2 | None | - | 3 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 491 | 7 | 1 | 5 | 5.3 | CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/ml500505q | ||
CHEMBL3577945 | 669 | 2 | None | - | 3 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 491 | 7 | 1 | 5 | 5.3 | CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/ml500505q | ||
183790 | 3715 | 11 | None | -6 | 2 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1074/jbc.m705302200 | ||
783 | 3715 | 11 | None | -6 | 2 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1074/jbc.m705302200 | ||
CHEMBL1178786 | 3715 | 11 | None | -6 | 2 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1074/jbc.m705302200 | ||
90656027 | 111099 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 557 | 4 | 1 | 5 | 4.6 | CNC(=O)c1cccc(C2CCN([C@@H]3C[C@H]4OCC[C@@]4(C(=O)N4COc5ccc(C(F)(F)F)cc5C4)C3)CC2)c1 | 10.1016/j.bmcl.2014.03.036 | ||
CHEMBL3263286 | 111099 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 557 | 4 | 1 | 5 | 4.6 | CNC(=O)c1cccc(C2CCN([C@@H]3C[C@H]4OCC[C@@]4(C(=O)N4COc5ccc(C(F)(F)F)cc5C4)C3)CC2)c1 | 10.1016/j.bmcl.2014.03.036 | ||
91884571 | 181436 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 471 | 5 | 3 | 5 | 2.5 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cccc(C(C)(C)C)n2)C1=O | 10.1021/acsmedchemlett.1c00082 | ||
CHEMBL4764460 | 181436 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 471 | 5 | 3 | 5 | 2.5 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cccc(C(C)(C)C)n2)C1=O | 10.1021/acsmedchemlett.1c00082 | ||
46886055 | 8012 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 593 | 9 | 1 | 5 | 4.8 | CCN(C(C)C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2010.03.035 | ||
CHEMBL1090893 | 8012 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 593 | 9 | 1 | 5 | 4.8 | CCN(C(C)C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2010.03.035 | ||
68767577 | 109789 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 545 | 8 | 1 | 5 | 3.7 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)C(C)C)C1 | 10.1016/j.bmcl.2014.02.013 | ||
CHEMBL3233186 | 109789 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 545 | 8 | 1 | 5 | 3.7 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)C(C)C)C1 | 10.1016/j.bmcl.2014.02.013 | ||
10289827 | 187952 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 571 | 9 | 2 | 6 | 3.8 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL497202 | 187952 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 571 | 9 | 2 | 6 | 3.8 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
46886536 | 8274 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 593 | 8 | 1 | 5 | 4.7 | Cc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)cc1 | 10.1016/j.bmcl.2010.03.035 | ||
CHEMBL1092678 | 8274 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 593 | 8 | 1 | 5 | 4.7 | Cc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)cc1 | 10.1016/j.bmcl.2010.03.035 | ||
154572822 | 171077 | 1 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 542 | 7 | 2 | 7 | 2.8 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](Nc3ncnc4ccc(C(F)(F)F)cc34)C2=O)[C@H](NS(C)(=O)=O)C1 | 10.1021/acsmedchemlett.8b00439 | ||
CHEMBL4457723 | 171077 | 1 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 542 | 7 | 2 | 7 | 2.8 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](Nc3ncnc4ccc(C(F)(F)F)cc34)C2=O)[C@H](NS(C)(=O)=O)C1 | 10.1021/acsmedchemlett.8b00439 | ||
16064151 | 121213 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 491 | 6 | 1 | 5 | 5.2 | CC(C)[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | 10.1021/ml500505q | ||
CHEMBL3577948 | 121213 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 491 | 6 | 1 | 5 | 5.2 | CC(C)[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | 10.1021/ml500505q | ||
44425292 | 85939 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 627 | 9 | 3 | 5 | 6.6 | CNC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
CHEMBL230281 | 85939 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 627 | 9 | 3 | 5 | 6.6 | CNC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
68764925 | 121211 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 477 | 6 | 1 | 5 | 4.9 | CC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | 10.1021/ml500505q | ||
CHEMBL3577946 | 121211 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 477 | 6 | 1 | 5 | 4.9 | CC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | 10.1021/ml500505q | ||
46865775 | 8082 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 579 | 8 | 1 | 5 | 4.4 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2014.02.013 | ||
CHEMBL1091605 | 8082 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 579 | 8 | 1 | 5 | 4.4 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2014.02.013 | ||
68769744 | 109790 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 533 | 8 | 1 | 5 | 4.0 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(C)(C)C)c3)C2=O)[C@H](CS(=O)(=O)C(C)C)C1 | 10.1016/j.bmcl.2014.02.013 | ||
CHEMBL3233187 | 109790 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 533 | 8 | 1 | 5 | 4.0 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(C)(C)C)c3)C2=O)[C@H](CS(=O)(=O)C(C)C)C1 | 10.1016/j.bmcl.2014.02.013 | ||
11192346 | 2011 | 57 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
9032 | 2011 | 57 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
CHEMBL2029422 | 2011 | 57 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
68764925 | 121211 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 477 | 6 | 1 | 5 | 4.9 | CC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | 10.1021/ml500505q | ||
CHEMBL3577946 | 121211 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 477 | 6 | 1 | 5 | 4.9 | CC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | 10.1021/ml500505q | ||
68767049 | 121208 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 553 | 9 | 3 | 4 | 4.9 | CCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NCC)C1=O | 10.1021/ml500505q | ||
CHEMBL3577942 | 121208 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 553 | 9 | 3 | 4 | 4.9 | CCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NCC)C1=O | 10.1021/ml500505q | ||
162668957 | 182736 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 495 | 5 | 3 | 7 | 3.1 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(C)(C)C)nc23)C1=O | 10.1021/acsmedchemlett.1c00082 | ||
CHEMBL4790208 | 182736 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 495 | 5 | 3 | 7 | 3.1 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(C)(C)C)nc23)C1=O | 10.1021/acsmedchemlett.1c00082 | ||
68769143 | 109787 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 531 | 8 | 1 | 5 | 3.3 | CCS(=O)(=O)C[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cccc(C(F)(F)F)c2)C1=O | 10.1016/j.bmcl.2014.02.013 | ||
CHEMBL3233184 | 109787 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 531 | 8 | 1 | 5 | 3.3 | CCS(=O)(=O)C[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cccc(C(F)(F)F)c2)C1=O | 10.1016/j.bmcl.2014.02.013 | ||
11643006 | 95245 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 618 | 8 | 3 | 5 | 5.3 | CS(=O)(=O)Nc1ccc2[nH]cc(C3CCN(C(CO)C4CCN(C(=O)/C=C/c5ccc(Cl)c(Cl)c5)CC4)CC3)c2c1 | 10.1016/j.bmcl.2008.05.010 | ||
CHEMBL256301 | 95245 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 618 | 8 | 3 | 5 | 5.3 | CS(=O)(=O)Nc1ccc2[nH]cc(C3CCN(C(CO)C4CCN(C(=O)/C=C/c5ccc(Cl)c(Cl)c5)CC4)CC3)c2c1 | 10.1016/j.bmcl.2008.05.010 | ||
11540494 | 95441 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 493 | 6 | 2 | 3 | 4.9 | O=C(/C=C/c1cc(F)cc(F)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
CHEMBL257191 | 95441 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 493 | 6 | 2 | 3 | 4.9 | O=C(/C=C/c1cc(F)cc(F)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
11598 | 670 | 9 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 506 | 6 | 2 | 6 | 3.4 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/acsmedchemlett.8b00439 | ||
23725177 | 670 | 9 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 506 | 6 | 2 | 6 | 3.4 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/acsmedchemlett.8b00439 | ||
CHEMBL4442783 | 670 | 9 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 506 | 6 | 2 | 6 | 3.4 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/acsmedchemlett.8b00439 | ||
11598 | 670 | 9 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 506 | 6 | 2 | 6 | 3.4 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/acsmedchemlett.1c00082 | ||
23725177 | 670 | 9 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 506 | 6 | 2 | 6 | 3.4 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/acsmedchemlett.1c00082 | ||
CHEMBL4442783 | 670 | 9 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 506 | 6 | 2 | 6 | 3.4 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/acsmedchemlett.1c00082 | ||
68767802 | 109784 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 506 | 7 | 1 | 6 | 2.6 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(C)(C)C)n3)C2=O)[C@H](CS(C)(=O)=O)C1 | 10.1016/j.bmcl.2014.02.013 | ||
CHEMBL3233181 | 109784 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 506 | 7 | 1 | 6 | 2.6 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(C)(C)C)n3)C2=O)[C@H](CS(C)(=O)=O)C1 | 10.1016/j.bmcl.2014.02.013 | ||
68764898 | 669 | 2 | None | - | 3 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 491 | 7 | 1 | 5 | 5.3 | CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/acsmedchemlett.8b00439 | ||
9430 | 669 | 2 | None | - | 3 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 491 | 7 | 1 | 5 | 5.3 | CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/acsmedchemlett.8b00439 | ||
CHEMBL3577945 | 669 | 2 | None | - | 3 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 491 | 7 | 1 | 5 | 5.3 | CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/acsmedchemlett.8b00439 | ||
68764898 | 669 | 2 | None | - | 3 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 491 | 7 | 1 | 5 | 5.3 | CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/ml500505q | ||
9430 | 669 | 2 | None | - | 3 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 491 | 7 | 1 | 5 | 5.3 | CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/ml500505q | ||
CHEMBL3577945 | 669 | 2 | None | - | 3 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 491 | 7 | 1 | 5 | 5.3 | CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/ml500505q | ||
11597 | 671 | 5 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 506 | 5 | 3 | 6 | 3.5 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)NC(C)(C)C | 10.1021/acsmedchemlett.1c00082 | ||
23725180 | 671 | 5 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 506 | 5 | 3 | 6 | 3.5 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)NC(C)(C)C | 10.1021/acsmedchemlett.1c00082 | ||
CHEMBL4781426 | 671 | 5 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 506 | 5 | 3 | 6 | 3.5 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)NC(C)(C)C | 10.1021/acsmedchemlett.1c00082 | ||
46865774 | 8081 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 553 | 9 | 2 | 5 | 3.9 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2010.03.035 | ||
CHEMBL1091604 | 8081 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 553 | 9 | 2 | 5 | 3.9 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2010.03.035 | ||
46886539 | 8317 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 597 | 8 | 1 | 5 | 4.5 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cc(F)cc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2010.03.035 | ||
CHEMBL1092941 | 8317 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 597 | 8 | 1 | 5 | 4.5 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cc(F)cc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2010.03.035 | ||
46865774 | 8081 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 553 | 9 | 2 | 5 | 3.9 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2011.12.057 | ||
CHEMBL1091604 | 8081 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 553 | 9 | 2 | 5 | 3.9 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2011.12.057 | ||
44425294 | 143340 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 651 | 8 | 3 | 5 | 6.8 | CNC(=O)Nc1nc([C@H](CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
CHEMBL389771 | 143340 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 651 | 8 | 3 | 5 | 6.8 | CNC(=O)Nc1nc([C@H](CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
46865774 | 8081 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 553 | 9 | 2 | 5 | 3.9 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1021/ml500505q | ||
CHEMBL1091604 | 8081 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 553 | 9 | 2 | 5 | 3.9 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1021/ml500505q | ||
66767933 | 121199 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 531 | 12 | 6 | 5 | 3.2 | CCC[C@H](O)[C@H](CNCC(C)(C)C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C | 10.1021/ml500505q | ||
CHEMBL3577933 | 121199 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 531 | 12 | 6 | 5 | 3.2 | CCC[C@H](O)[C@H](CNCC(C)(C)C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C | 10.1021/ml500505q | ||
11192943 | 77595 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 628 | 8 | 2 | 5 | 5.4 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)[C@H](CS(=O)(=O)c2ccc(Br)cc2)C1 | 10.1016/j.bmcl.2012.08.002 | ||
CHEMBL2088212 | 77595 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 628 | 8 | 2 | 5 | 5.4 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)[C@H](CS(=O)(=O)c2ccc(Br)cc2)C1 | 10.1016/j.bmcl.2012.08.002 | ||
68772423 | 171940 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 541 | 7 | 1 | 7 | 3.6 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](Nc3ncnc4ccc(C(F)(F)F)cc34)C2=O)[C@H](CS(C)(=O)=O)C1 | 10.1021/acsmedchemlett.8b00439 | ||
CHEMBL4470701 | 171940 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 541 | 7 | 1 | 7 | 3.6 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](Nc3ncnc4ccc(C(F)(F)F)cc34)C2=O)[C@H](CS(C)(=O)=O)C1 | 10.1021/acsmedchemlett.8b00439 | ||
50925394 | 19296 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 517 | 8 | 2 | 4 | 4.4 | CCO[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
CHEMBL1290636 | 19296 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 517 | 8 | 2 | 4 | 4.4 | CCO[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
22143334 | 187784 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 509 | 8 | 4 | 6 | 2.7 | CSc1ccc(CNC2CCN(C)CC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
CHEMBL495924 | 187784 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 509 | 8 | 4 | 6 | 2.7 | CSc1ccc(CNC2CCN(C)CC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
68988296 | 109791 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 559 | 7 | 1 | 5 | 4.1 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)C(C)(C)C)C1 | 10.1016/j.bmcl.2014.02.013 | ||
CHEMBL3233188 | 109791 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 559 | 7 | 1 | 5 | 4.1 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)C(C)(C)C)C1 | 10.1016/j.bmcl.2014.02.013 | ||
11721374 | 94964 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 604 | 8 | 3 | 5 | 4.4 | CS(=O)(=O)Nc1ccc2[nH]cc(C3CCN(C(CO)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c2c1 | 10.1016/j.bmcl.2008.05.010 | ||
CHEMBL254772 | 94964 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 604 | 8 | 3 | 5 | 4.4 | CS(=O)(=O)Nc1ccc2[nH]cc(C3CCN(C(CO)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c2c1 | 10.1016/j.bmcl.2008.05.010 | ||
44448839 | 155430 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 526 | 6 | 3 | 4 | 4.7 | Nc1ccc2[nH]cc(C3CCN(C(CO)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c2c1 | 10.1016/j.bmcl.2008.05.010 | ||
CHEMBL403889 | 155430 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 526 | 6 | 3 | 4 | 4.7 | Nc1ccc2[nH]cc(C3CCN(C(CO)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c2c1 | 10.1016/j.bmcl.2008.05.010 | ||
44448879 | 155644 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 527 | 6 | 3 | 4 | 4.8 | O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccc(O)cc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
CHEMBL404904 | 155644 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 527 | 6 | 3 | 4 | 4.8 | O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccc(O)cc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
46865775 | 8082 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 579 | 8 | 1 | 5 | 4.4 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2010.03.035 | ||
CHEMBL1091605 | 8082 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 579 | 8 | 1 | 5 | 4.4 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2010.03.035 | ||
46865775 | 8082 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 579 | 8 | 1 | 5 | 4.4 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2014.02.013 | ||
CHEMBL1091605 | 8082 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 579 | 8 | 1 | 5 | 4.4 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2014.02.013 | ||
57402219 | 70979 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 503 | 6 | 3 | 4 | 3.8 | Cc1ccc([C@]2(O)CC[C@H](N3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1021/ml200030q | ||
CHEMBL1951766 | 70979 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 503 | 6 | 3 | 4 | 3.8 | Cc1ccc([C@]2(O)CC[C@H](N3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1021/ml200030q | ||
68767049 | 121208 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 553 | 9 | 3 | 4 | 4.9 | CCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NCC)C1=O | 10.1021/ml500505q | ||
CHEMBL3577942 | 121208 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 553 | 9 | 3 | 4 | 4.9 | CCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NCC)C1=O | 10.1021/ml500505q | ||
68867935 | 109788 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 539 | 9 | 1 | 5 | 4.0 | CCS(=O)(=O)C[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cccc(-c3ccccc3)c2)C1=O | 10.1016/j.bmcl.2014.02.013 | ||
CHEMBL3233185 | 109788 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 539 | 9 | 1 | 5 | 4.0 | CCS(=O)(=O)C[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cccc(-c3ccccc3)c2)C1=O | 10.1016/j.bmcl.2014.02.013 | ||
11598 | 670 | 9 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 506 | 6 | 2 | 6 | 3.4 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/acsmedchemlett.8b00439 | ||
23725177 | 670 | 9 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 506 | 6 | 2 | 6 | 3.4 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/acsmedchemlett.8b00439 | ||
CHEMBL4442783 | 670 | 9 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 506 | 6 | 2 | 6 | 3.4 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/acsmedchemlett.8b00439 | ||
11598 | 670 | 9 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 506 | 6 | 2 | 6 | 3.4 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/acsmedchemlett.1c00082 | ||
23725177 | 670 | 9 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 506 | 6 | 2 | 6 | 3.4 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/acsmedchemlett.1c00082 | ||
CHEMBL4442783 | 670 | 9 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 506 | 6 | 2 | 6 | 3.4 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/acsmedchemlett.1c00082 | ||
66768099 | 121198 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 517 | 13 | 6 | 5 | 2.9 | CCC[C@H](O)[C@H](CNCC(C)C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C | 10.1021/ml500505q | ||
CHEMBL3577932 | 121198 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 517 | 13 | 6 | 5 | 2.9 | CCC[C@H](O)[C@H](CNCC(C)C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C | 10.1021/ml500505q | ||
69035439 | 77619 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 576 | 7 | 1 | 5 | 5.2 | CC(C)N(C)[C@@H]1CC[C@H](N2CCC(c3nc4cccc(C(F)(F)F)c4[nH]3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2012.08.002 | ||
CHEMBL2088388 | 77619 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 576 | 7 | 1 | 5 | 5.2 | CC(C)N(C)[C@@H]1CC[C@H](N2CCC(c3nc4cccc(C(F)(F)F)c4[nH]3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2012.08.002 | ||
68767124 | 109783 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 505 | 7 | 1 | 5 | 3.2 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(C)(C)C)c3)C2=O)[C@H](CS(C)(=O)=O)C1 | 10.1016/j.bmcl.2014.02.013 | ||
CHEMBL3233180 | 109783 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 505 | 7 | 1 | 5 | 3.2 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(C)(C)C)c3)C2=O)[C@H](CS(C)(=O)=O)C1 | 10.1016/j.bmcl.2014.02.013 | ||
68769143 | 109787 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 531 | 8 | 1 | 5 | 3.3 | CCS(=O)(=O)C[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cccc(C(F)(F)F)c2)C1=O | 10.1016/j.bmcl.2014.02.013 | ||
CHEMBL3233184 | 109787 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 531 | 8 | 1 | 5 | 3.3 | CCS(=O)(=O)C[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cccc(C(F)(F)F)c2)C1=O | 10.1016/j.bmcl.2014.02.013 | ||
89845025 | 109792 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 575 | 8 | 1 | 6 | 4.0 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(OC(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)C(C)(C)C)C1 | 10.1016/j.bmcl.2014.02.013 | ||
CHEMBL3233189 | 109792 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 575 | 8 | 1 | 6 | 4.0 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(OC(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)C(C)(C)C)C1 | 10.1016/j.bmcl.2014.02.013 | ||
44593562 | 187471 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 494 | 6 | 2 | 3 | 5.6 | CC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | ||
CHEMBL494191 | 187471 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 494 | 6 | 2 | 3 | 5.6 | CC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | ||
46865774 | 8081 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 553 | 9 | 2 | 5 | 3.9 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1021/ml500505q | ||
CHEMBL1091604 | 8081 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 553 | 9 | 2 | 5 | 3.9 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1021/ml500505q | ||
68768923 | 109793 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 577 | 7 | 1 | 5 | 4.3 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cc(F)cc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)C(C)(C)C)C1 | 10.1016/j.bmcl.2014.02.013 | ||
CHEMBL3233190 | 109793 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 577 | 7 | 1 | 5 | 4.3 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cc(F)cc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)C(C)(C)C)C1 | 10.1016/j.bmcl.2014.02.013 | ||
10240064 | 188404 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 599 | 10 | 2 | 6 | 4.6 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL502247 | 188404 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 599 | 10 | 2 | 6 | 4.6 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
10129192 | 188435 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 599 | 11 | 2 | 6 | 4.6 | CCN(CC)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccc(SC)cc2)C1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL502793 | 188435 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 599 | 11 | 2 | 6 | 4.6 | CCN(CC)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccc(SC)cc2)C1 | 10.1016/j.bmcl.2009.05.041 | ||
91884571 | 181436 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 471 | 5 | 3 | 5 | 2.5 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cccc(C(C)(C)C)n2)C1=O | 10.1021/acsmedchemlett.1c00082 | ||
CHEMBL4764460 | 181436 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 471 | 5 | 3 | 5 | 2.5 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cccc(C(C)(C)C)n2)C1=O | 10.1021/acsmedchemlett.1c00082 | ||
10144709 | 166860 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 574 | 6 | 2 | 3 | 6.7 | CC(C)(O)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3ccc(F)cc3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
CHEMBL428602 | 166860 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 574 | 6 | 2 | 3 | 6.7 | CC(C)(O)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3ccc(F)cc3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
44425245 | 85747 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 608 | 7 | 2 | 5 | 6.9 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(N)n2)CCC12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | ||
CHEMBL229316 | 85747 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 608 | 7 | 2 | 5 | 6.9 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(N)n2)CCC12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | ||
44425281 | 153222 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 612 | 9 | 4 | 5 | 6.2 | N=C(N)Nc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
CHEMBL397749 | 153222 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 612 | 9 | 4 | 5 | 6.2 | N=C(N)Nc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
11606411 | 85279 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 550 | 4 | 1 | 2 | 7.2 | C[C@H]1CN([C@@H]2CC[C@](C)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@@]12C=Cc1ccccc12 | 10.1021/jm070166b | ||
CHEMBL226066 | 85279 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 550 | 4 | 1 | 2 | 7.2 | C[C@H]1CN([C@@H]2CC[C@](C)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@@]12C=Cc1ccccc12 | 10.1021/jm070166b | ||
11598 | 670 | 9 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 506 | 6 | 2 | 6 | 3.4 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1016/j.ejmech.2020.112736 | ||
23725177 | 670 | 9 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 506 | 6 | 2 | 6 | 3.4 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1016/j.ejmech.2020.112736 | ||
CHEMBL4442783 | 670 | 9 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 506 | 6 | 2 | 6 | 3.4 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1016/j.ejmech.2020.112736 | ||
57335017 | 70309 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 595 | 8 | 4 | 6 | 2.8 | N[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCC2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
CHEMBL1944776 | 70309 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 595 | 8 | 4 | 6 | 2.8 | N[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCC2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
10175425 | 193509 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 614 | 10 | 3 | 7 | 4.2 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL526752 | 193509 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 614 | 10 | 3 | 7 | 4.2 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
155531379 | 171581 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 532 | 7 | 1 | 5 | 2.6 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](N(C)S(C)(=O)=O)C1 | 10.1021/acsmedchemlett.8b00439 | ||
CHEMBL4465351 | 171581 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 532 | 7 | 1 | 5 | 2.6 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](N(C)S(C)(=O)=O)C1 | 10.1021/acsmedchemlett.8b00439 | ||
44454820 | 97862 | 8 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 528 | 5 | 1 | 2 | 7.0 | CC(C)[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.016 | ||
CHEMBL272369 | 97862 | 8 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 528 | 5 | 1 | 2 | 7.0 | CC(C)[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.016 | ||
44425293 | 153440 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 636 | 8 | 2 | 5 | 7.0 | CC(=O)Nc1nc([C@H](CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
CHEMBL397948 | 153440 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 636 | 8 | 2 | 5 | 7.0 | CC(=O)Nc1nc([C@H](CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
44423283 | 85278 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 536 | 4 | 1 | 2 | 6.8 | C[C@H]1CN([C@@H]2CC[C@H](C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@@]12C=Cc1ccccc12 | 10.1021/jm070166b | ||
CHEMBL226065 | 85278 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 536 | 4 | 1 | 2 | 6.8 | C[C@H]1CN([C@@H]2CC[C@H](C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@@]12C=Cc1ccccc12 | 10.1021/jm070166b | ||
44593563 | 193086 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 508 | 7 | 2 | 3 | 5.9 | CCC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1007/s00044-010-9501-4 | ||
CHEMBL522688 | 193086 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 508 | 7 | 2 | 3 | 5.9 | CCC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1007/s00044-010-9501-4 | ||
44593562 | 187471 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 494 | 6 | 2 | 3 | 5.6 | CC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | ||
CHEMBL494191 | 187471 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 494 | 6 | 2 | 3 | 5.6 | CC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | ||
71768865 | 111095 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 499 | 3 | 0 | 4 | 4.8 | O=C(N1CCc2ncc(C(F)(F)F)cc2C1)[C@@]12CCO[C@@H]1C[C@@H](N1CCC(c3ccccc3)CC1)C2 | 10.1016/j.bmcl.2014.03.036 | ||
CHEMBL3263282 | 111095 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 499 | 3 | 0 | 4 | 4.8 | O=C(N1CCc2ncc(C(F)(F)F)cc2C1)[C@@]12CCO[C@@H]1C[C@@H](N1CCC(c3ccccc3)CC1)C2 | 10.1016/j.bmcl.2014.03.036 | ||
162666730 | 182250 | 1 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
CHEMBL4783861 | 182250 | 1 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
162656188 | 180891 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 429 | 5 | 3 | 5 | 1.4 | CN[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(C)(C)C)n3)C2=O)[C@H](NC(C)=O)C1 | 10.1021/acsmedchemlett.1c00082 | ||
CHEMBL4757857 | 180891 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 429 | 5 | 3 | 5 | 1.4 | CN[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(C)(C)C)n3)C2=O)[C@H](NC(C)=O)C1 | 10.1021/acsmedchemlett.1c00082 | ||
24794583 | 181069 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 464 | 5 | 3 | 6 | 2.3 | CN[C@@H]1CC[C@H](N2CC[C@H](Nc3ncnc4ccc(C(F)(F)F)cc34)C2=O)[C@H](NC(C)=O)C1 | 10.1021/acsmedchemlett.1c00082 | ||
CHEMBL4760098 | 181069 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 464 | 5 | 3 | 6 | 2.3 | CN[C@@H]1CC[C@H](N2CC[C@H](Nc3ncnc4ccc(C(F)(F)F)cc34)C2=O)[C@H](NC(C)=O)C1 | 10.1021/acsmedchemlett.1c00082 | ||
44425254 | 142235 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 636 | 8 | 2 | 5 | 7.0 | CC(=O)Nc1nc(C(CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
CHEMBL388487 | 142235 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 636 | 8 | 2 | 5 | 7.0 | CC(=O)Nc1nc(C(CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
16066354 | 121209 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 567 | 9 | 3 | 4 | 5.2 | CCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)C1=O | 10.1021/ml500505q | ||
CHEMBL3577943 | 121209 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 567 | 9 | 3 | 4 | 5.2 | CCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)C1=O | 10.1021/ml500505q | ||
122178128 | 121206 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 503 | 9 | 2 | 3 | 5.1 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CCc2ccccc2)C1 | 10.1021/ml500505q | ||
CHEMBL3577940 | 121206 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 503 | 9 | 2 | 3 | 5.1 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CCc2ccccc2)C1 | 10.1021/ml500505q | ||
42606792 | 109781 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 517 | 7 | 1 | 5 | 3.0 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(C)(=O)=O)C1 | 10.1016/j.bmcl.2014.02.013 | ||
CHEMBL3233178 | 109781 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 517 | 7 | 1 | 5 | 3.0 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(C)(=O)=O)C1 | 10.1016/j.bmcl.2014.02.013 | ||
42606792 | 109781 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 517 | 7 | 1 | 5 | 3.0 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(C)(=O)=O)C1 | 10.1021/acsmedchemlett.8b00439 | ||
CHEMBL3233178 | 109781 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 517 | 7 | 1 | 5 | 3.0 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(C)(=O)=O)C1 | 10.1021/acsmedchemlett.8b00439 | ||
44425250 | 86023 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 630 | 9 | 2 | 5 | 6.9 | CC(=O)Nc1nc(C(CCN2CCC(c3ccc(F)cc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
CHEMBL230790 | 86023 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 630 | 9 | 2 | 5 | 6.9 | CC(=O)Nc1nc(C(CCN2CCC(c3ccc(F)cc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
16216716 | 153505 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 612 | 9 | 2 | 5 | 6.8 | CC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
CHEMBL397996 | 153505 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 612 | 9 | 2 | 5 | 6.8 | CC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
22143255 | 187834 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 523 | 7 | 4 | 6 | 2.4 | CSc1ccc(C(=O)NC2CCN(C)CC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
CHEMBL496343 | 187834 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 523 | 7 | 4 | 6 | 2.4 | CSc1ccc(C(=O)NC2CCN(C)CC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
11753466 | 77611 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 575 | 8 | 2 | 6 | 4.5 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)[C@H](CS(=O)(=O)c2ccc(C#N)cc2)C1 | 10.1016/j.bmcl.2012.08.002 | ||
CHEMBL2088380 | 77611 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 575 | 8 | 2 | 6 | 4.5 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)[C@H](CS(=O)(=O)c2ccc(C#N)cc2)C1 | 10.1016/j.bmcl.2012.08.002 | ||
69035677 | 77620 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 590 | 8 | 1 | 5 | 5.6 | CCN(C(C)C)[C@@H]1CC[C@H](N2CCC(c3nc4cccc(C(F)(F)F)c4[nH]3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2012.08.002 | ||
CHEMBL2088389 | 77620 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 590 | 8 | 1 | 5 | 5.6 | CCN(C(C)C)[C@@H]1CC[C@H](N2CCC(c3nc4cccc(C(F)(F)F)c4[nH]3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2012.08.002 | ||
155529593 | 171431 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 518 | 7 | 2 | 5 | 2.2 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](NS(C)(=O)=O)C1 | 10.1021/acsmedchemlett.8b00439 | ||
CHEMBL4463290 | 171431 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 518 | 7 | 2 | 5 | 2.2 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](NS(C)(=O)=O)C1 | 10.1021/acsmedchemlett.8b00439 | ||
44425652 | 168744 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 526 | 5 | 1 | 2 | 6.7 | C[C@H]1CN([C@@H]2CC[C@@](C(=O)NCc3cc(F)cc(C(F)(F)F)c3)(C3CC3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
CHEMBL437359 | 168744 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 526 | 5 | 1 | 2 | 6.7 | C[C@H]1CN([C@@H]2CC[C@@](C(=O)NCc3cc(F)cc(C(F)(F)F)c3)(C3CC3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
50925394 | 19296 | 0 | None | - | 0 | Mouse | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 517 | 8 | 2 | 4 | 4.4 | CCO[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
CHEMBL1290636 | 19296 | 0 | None | - | 0 | Mouse | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 517 | 8 | 2 | 4 | 4.4 | CCO[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
52941377 | 19297 | 0 | None | - | 0 | Mouse | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 531 | 9 | 2 | 4 | 4.8 | CCCO[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
CHEMBL1290637 | 19297 | 0 | None | - | 0 | Mouse | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 531 | 9 | 2 | 4 | 4.8 | CCCO[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
68004034 | 86553 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 506 | 6 | 3 | 8 | 3.1 | O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@](O)(c3nccs3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | ||
CHEMBL2315922 | 86553 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 506 | 6 | 3 | 8 | 3.1 | O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@](O)(c3nccs3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | ||
76315270 | 84871 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 576 | 9 | 2 | 7 | 4.4 | CCO[C@@H]1CN([C@H]2CC[C@@](O)(c3ccc4c(c3)OCO4)CC2)C[C@@H]1NC(=O)CCC(=O)c1cccc(C(F)(F)F)c1 | 10.1007/s00044-010-9497-9 | ||
CHEMBL2236474 | 84871 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 576 | 9 | 2 | 7 | 4.4 | CCO[C@@H]1CN([C@H]2CC[C@@](O)(c3ccc4c(c3)OCO4)CC2)C[C@@H]1NC(=O)CCC(=O)c1cccc(C(F)(F)F)c1 | 10.1007/s00044-010-9497-9 | ||
162666730 | 182250 | 1 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
CHEMBL4783861 | 182250 | 1 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
53389845 | 172937 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 315 | 3 | 2 | 5 | 2.1 | Nc1nc2[nH]c(C3CC3)c(Cc3cccc(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4517518 | 172937 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 315 | 3 | 2 | 5 | 2.1 | Nc1nc2[nH]c(C3CC3)c(Cc3cccc(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
11663882 | 95082 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 541 | 7 | 2 | 4 | 5.1 | COc1cccc2c(C3CCN(C(CO)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c[nH]c12 | 10.1016/j.bmcl.2008.05.010 | ||
CHEMBL255500 | 95082 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 541 | 7 | 2 | 4 | 5.1 | COc1cccc2c(C3CCN(C(CO)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c[nH]c12 | 10.1016/j.bmcl.2008.05.010 | ||
11713221 | 95572 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 511 | 6 | 2 | 3 | 5.1 | O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC([C@H](CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
CHEMBL257768 | 95572 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 511 | 6 | 2 | 3 | 5.1 | O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC([C@H](CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
11606147 | 155319 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 525 | 6 | 2 | 3 | 5.7 | O=C(/C=C/c1cccc(C(F)(F)F)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
CHEMBL403250 | 155319 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 525 | 6 | 2 | 3 | 5.7 | O=C(/C=C/c1cccc(C(F)(F)F)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
44448807 | 155374 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 558 | 6 | 4 | 4 | 5.7 | O=C(O)c1ccc2[nH]cc(C3CCN(C(CO)C4CCN(C(=O)Nc5ccc(Cl)c(Cl)c5)CC4)CC3)c2c1 | 10.1016/j.bmcl.2008.05.010 | ||
CHEMBL403581 | 155374 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 558 | 6 | 4 | 4 | 5.7 | O=C(O)c1ccc2[nH]cc(C3CCN(C(CO)C4CCN(C(=O)Nc5ccc(Cl)c(Cl)c5)CC4)CC3)c2c1 | 10.1016/j.bmcl.2008.05.010 | ||
57656715 | 75177 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 410 | 4 | 1 | 3 | 4.0 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036757 | 75177 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 410 | 4 | 1 | 3 | 4.0 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
70693849 | 73702 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 491 | 11 | 5 | 5 | 4.0 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNc1n[nH]c2ccc(C(F)(F)F)cc12 | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018395 | 73702 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 491 | 11 | 5 | 5 | 4.0 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNc1n[nH]c2ccc(C(F)(F)F)cc12 | 10.1016/j.bmcl.2012.03.007 | ||
49763682 | 65391 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 489 | 7 | 2 | 4 | 4.0 | COc1ccc([C@H]2CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2011.06.080 | ||
CHEMBL1829612 | 65391 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 489 | 7 | 2 | 4 | 4.0 | COc1ccc([C@H]2CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2011.06.080 | ||
44441352 | 93354 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 509 | 7 | 1 | 2 | 6.8 | C[N+](C)(Cc1ccc(NC(=O)/C=C/c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
CHEMBL245686 | 93354 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 509 | 7 | 1 | 2 | 6.8 | C[N+](C)(Cc1ccc(NC(=O)/C=C/c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
44441347 | 93763 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 455 | 7 | 1 | 2 | 6.1 | Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(C[N+](C)(C)C4CCOCC4)cc3)cc2)cc1 | 10.1016/j.bmcl.2007.01.115 | ||
CHEMBL247537 | 93763 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 455 | 7 | 1 | 2 | 6.1 | Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(C[N+](C)(C)C4CCOCC4)cc3)cc2)cc1 | 10.1016/j.bmcl.2007.01.115 | ||
44425631 | 142050 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 564 | 5 | 1 | 2 | 7.6 | CCC1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
CHEMBL388007 | 142050 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 564 | 5 | 1 | 2 | 7.6 | CCC1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
44413089 | 77878 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 459 | 8 | 1 | 3 | 5.1 | CN(C)CC/C=N/[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | ||
CHEMBL209411 | 77878 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 459 | 8 | 1 | 3 | 5.1 | CN(C)CC/C=N/[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | ||
11319072 | 74513 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4cncnc4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
CHEMBL2029420 | 74513 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4cncnc4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
11330837 | 74522 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 596 | 6 | 2 | 9 | 3.6 | O=C(C1CCN(c2cc(C(F)(F)F)ncn2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | ||
CHEMBL2029570 | 74522 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 596 | 6 | 2 | 9 | 3.6 | O=C(C1CCN(c2cc(C(F)(F)F)ncn2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | ||
11756884 | 19057 | 0 | None | - | 0 | Mouse | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 533 | 8 | 3 | 5 | 3.5 | CCO[C@H]1CN([C@H]2CC[C@@](O)(c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
CHEMBL1289083 | 19057 | 0 | None | - | 0 | Mouse | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 533 | 8 | 3 | 5 | 3.5 | CCO[C@H]1CN([C@H]2CC[C@@](O)(c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
11562947 | 89797 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 544 | 6 | 3 | 4 | 5.6 | O=C(O)C(C1CCN(C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
CHEMBL237754 | 89797 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 544 | 6 | 3 | 4 | 5.6 | O=C(O)C(C1CCN(C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
12093170 | 869 | 31 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 351 | 3 | 1 | 3 | 4.2 | Clc1ccc(c(c1)F)N1[C@H](C2CCCCC2)C(=C(C1=O)O)C(=O)C | 10.1021/acs.jmedchem.6b01309 | ||
9431 | 869 | 31 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 351 | 3 | 1 | 3 | 4.2 | Clc1ccc(c(c1)F)N1[C@H](C2CCCCC2)C(=C(C1=O)O)C(=O)C | 10.1021/acs.jmedchem.6b01309 | ||
CHEMBL4519152 | 869 | 31 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 351 | 3 | 1 | 3 | 4.2 | Clc1ccc(c(c1)F)N1[C@H](C2CCCCC2)C(=C(C1=O)O)C(=O)C | 10.1021/acs.jmedchem.6b01309 | ||
CHEMBL5268600 | 193548 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C2CCC(O)(c3ccc4c(c3)OCO4)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/acs.jmedchem.6b01309 | ||
57395216 | 70983 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3ncccn3)CC2)C1 | 10.1021/ml200030q | ||
CHEMBL1951771 | 70983 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3ncccn3)CC2)C1 | 10.1021/ml200030q | ||
53322809 | 58427 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 481 | 5 | 1 | 4 | 4.6 | CC(C)[C@]1(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC[C@@H](N[C@@H]2CCOC[C@@H]2C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
CHEMBL1683060 | 58427 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 481 | 5 | 1 | 4 | 4.6 | CC(C)[C@]1(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC[C@@H](N[C@@H]2CCOC[C@@H]2C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
53321483 | 58445 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 498 | 7 | 1 | 6 | 3.5 | CCC[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](N[C@H]2CCOC[C@H]2OC)C1 | 10.1016/j.bmcl.2011.01.015 | ||
CHEMBL1683078 | 58445 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 498 | 7 | 1 | 6 | 3.5 | CCC[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](N[C@H]2CCOC[C@H]2OC)C1 | 10.1016/j.bmcl.2011.01.015 | ||
57391766 | 70988 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3cnccn3)CC2)C1 | 10.1021/ml200030q | ||
CHEMBL1951776 | 70988 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3cnccn3)CC2)C1 | 10.1021/ml200030q | ||
162658125 | 181072 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
CHEMBL4760108 | 181072 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
10184250 | 73673 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 479 | 10 | 4 | 4 | 3.3 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](O)C(C)C)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018365 | 73673 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 479 | 10 | 4 | 4 | 3.3 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](O)C(C)C)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | ||
10186010 | 73682 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 513 | 10 | 4 | 4 | 4.1 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@@H](O)c2ccccc2)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018375 | 73682 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 513 | 10 | 4 | 4 | 4.1 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@@H](O)c2ccccc2)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | ||
46241120 | 83547 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 481 | 6 | 3 | 5 | 3.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3cccs3)CC2)C1 | 10.1021/ml300260s | ||
CHEMBL2204258 | 83547 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 481 | 6 | 3 | 5 | 3.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3cccs3)CC2)C1 | 10.1021/ml300260s | ||
44442557 | 154901 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 504 | 10 | 4 | 4 | 3.0 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC2(C)CC2)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL401010 | 154901 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 504 | 10 | 4 | 4 | 3.0 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC2(C)CC2)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
781 | 3371 | 80 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/acs.jmedchem.6b01309 | ||
9953769 | 3371 | 80 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/acs.jmedchem.6b01309 | ||
CHEMBL134074 | 3371 | 80 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/acs.jmedchem.6b01309 | ||
10436045 | 3490 | 4 | None | -85 | 13 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/acs.jmedchem.6b01309 | ||
782 | 3490 | 4 | None | -85 | 13 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/acs.jmedchem.6b01309 | ||
CHEMBL432713 | 3490 | 4 | None | -85 | 13 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/acs.jmedchem.6b01309 | ||
89823342 | 126333 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 492 | 4 | 1 | 5 | 3.9 | C[C@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | ||
CHEMBL3650405 | 126333 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 492 | 4 | 1 | 5 | 3.9 | C[C@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | ||
56680600 | 65387 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 501 | 6 | 2 | 5 | 3.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN(C2CC=C(c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
CHEMBL1829607 | 65387 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 501 | 6 | 2 | 5 | 3.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN(C2CC=C(c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
44413167 | 79690 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 447 | 8 | 2 | 3 | 4.2 | CN(C)CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | ||
CHEMBL211560 | 79690 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 447 | 8 | 2 | 3 | 4.2 | CN(C)CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | ||
46842232 | 7850 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 544 | 8 | 2 | 4 | 3.9 | Cc1ccc(C(=O)N2CCC(CCN3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL1089965 | 7850 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 544 | 8 | 2 | 4 | 3.9 | Cc1ccc(C(=O)N2CCC(CCN3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2010.02.072 | ||
10161975 | 93931 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 465 | 9 | 3 | 5 | 2.5 | COC(=O)[C@@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL248416 | 93931 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 465 | 9 | 3 | 5 | 2.5 | COC(=O)[C@@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | ||
11843945 | 78023 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 504 | 8 | 1 | 2 | 6.5 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCCN1CCCCC1)c1ccc(F)cc1 | 10.1021/jm060439n | ||
CHEMBL209975 | 78023 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 504 | 8 | 1 | 2 | 6.5 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCCN1CCCCC1)c1ccc(F)cc1 | 10.1021/jm060439n | ||
5481702 | 205800 | 1 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 556 | 8 | 0 | 4 | 5.3 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00639-9 | ||
CHEMBL83338 | 205800 | 1 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 556 | 8 | 0 | 4 | 5.3 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00639-9 | ||
56672021 | 65585 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 433 | 5 | 2 | 5 | 3.0 | C#C[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(C)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1833983 | 65585 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 433 | 5 | 2 | 5 | 3.0 | C#C[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(C)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
44453208 | 169398 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 385 | 6 | 2 | 3 | 2.8 | Cc1ccc(C(=O)NCC(=O)N[C@@H]2CCN(Cc3ccc(Cl)cc3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL442451 | 169398 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 385 | 6 | 2 | 3 | 2.8 | Cc1ccc(C(=O)NCC(=O)N[C@@H]2CCN(Cc3ccc(Cl)cc3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
11329244 | 71087 | 11 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 486 | 7 | 2 | 5 | 5.4 | CC(=O)c1sc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C | 10.1021/jm049530m | ||
CHEMBL195433 | 71087 | 11 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 486 | 7 | 2 | 5 | 5.4 | CC(=O)c1sc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C | 10.1021/jm049530m | ||
11272103 | 124349 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 505 | 7 | 2 | 6 | 4.7 | Cn1nnnc1-c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)c1 | 10.1021/jm049530m | ||
CHEMBL363840 | 124349 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 505 | 7 | 2 | 6 | 4.7 | Cn1nnnc1-c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)c1 | 10.1021/jm049530m | ||
44353447 | 3746 | 0 | None | - | 1 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/acs.jmedchem.6b01309 | ||
785 | 3746 | 0 | None | - | 1 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/acs.jmedchem.6b01309 | ||
CHEMBL337246 | 3746 | 0 | None | - | 1 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/acs.jmedchem.6b01309 | ||
11227368 | 77614 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 618 | 9 | 2 | 5 | 6.2 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)[C@H](CS(=O)(=O)c2ccc(C3CCCC3)cc2)C1 | 10.1016/j.bmcl.2012.08.002 | ||
CHEMBL2088383 | 77614 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 618 | 9 | 2 | 5 | 6.2 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)[C@H](CS(=O)(=O)c2ccc(C3CCCC3)cc2)C1 | 10.1016/j.bmcl.2012.08.002 | ||
25267730 | 148225 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 421 | 6 | 1 | 2 | 5.2 | C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)CC1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
CHEMBL393632 | 148225 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 421 | 6 | 1 | 2 | 5.2 | C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)CC1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
9885683 | 18915 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 369 | 3 | 1 | 4 | 3.9 | O=C(O)c1cc2ccccc2n1S(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
CHEMBL128640 | 18915 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 369 | 3 | 1 | 4 | 3.9 | O=C(O)c1cc2ccccc2n1S(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
89823584 | 126302 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 537 | 6 | 1 | 6 | 3.8 | COc1ccc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@@]23CCC[C@@H]2C[C@@H](N[C@H]2CCOC[C@H]2OC)C3)cc1C(F)(F)F | nan | ||
CHEMBL3650376 | 126302 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 537 | 6 | 1 | 6 | 3.8 | COc1ccc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@@]23CCC[C@@H]2C[C@@H](N[C@H]2CCOC[C@H]2OC)C3)cc1C(F)(F)F | nan | ||
162658125 | 181072 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
CHEMBL4760108 | 181072 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
44353196 | 20893 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 343 | 3 | 1 | 4 | 4.2 | Clc1ccc(Cn2c(-c3nn[nH]n3)cc3ccccc32)cc1Cl | 10.1016/j.bmcl.2003.10.049 | ||
CHEMBL131087 | 20893 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 343 | 3 | 1 | 4 | 4.2 | Clc1ccc(Cn2c(-c3nn[nH]n3)cc3ccccc32)cc1Cl | 10.1016/j.bmcl.2003.10.049 | ||
10371682 | 73786 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 620 | 11 | 4 | 6 | 5.3 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)N1CC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)C1=O | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018541 | 73786 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 620 | 11 | 4 | 6 | 5.3 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)N1CC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)C1=O | 10.1016/j.bmcl.2012.03.007 | ||
22310939 | 115639 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 387 | 3 | 1 | 2 | 5.7 | O=C(O)c1cc2ccc(C(F)(F)F)cc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
CHEMBL335378 | 115639 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 387 | 3 | 1 | 2 | 5.7 | O=C(O)c1cc2ccc(C(F)(F)F)cc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
70681778 | 75188 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 367 | 4 | 1 | 4 | 2.6 | N#Cc1cccc(NC(=O)N2CCN(C[C@@H]3CCCN(C4CC4)C3)CC2)c1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036768 | 75188 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 367 | 4 | 1 | 4 | 2.6 | N#Cc1cccc(NC(=O)N2CCN(C[C@@H]3CCCN(C4CC4)C3)CC2)c1 | 10.1016/j.bmcl.2012.04.118 | ||
89823498 | 126287 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 521 | 5 | 1 | 5 | 4.1 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccc2C)C1 | nan | ||
CHEMBL3650361 | 126287 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 521 | 5 | 1 | 5 | 4.1 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccc2C)C1 | nan | ||
44439169 | 90745 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 622 | 16 | 1 | 5 | 8.8 | CCC(C)CC(CCCN(CC)CC)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
CHEMBL239170 | 90745 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 622 | 16 | 1 | 5 | 8.8 | CCC(C)CC(CCCN(CC)CC)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
44439169 | 90745 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 622 | 16 | 1 | 5 | 8.8 | CCC(C)CC(CCCN(CC)CC)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
CHEMBL239170 | 90745 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 622 | 16 | 1 | 5 | 8.8 | CCC(C)CC(CCCN(CC)CC)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
49863202 | 15180 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 550 | 12 | 1 | 4 | 7.6 | CCN(CC)C(C)CCCNC(=O)CCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
CHEMBL1210670 | 15180 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 550 | 12 | 1 | 4 | 7.6 | CCN(CC)C(C)CCCNC(=O)CCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
71518728 | 86379 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 481 | 4 | 1 | 5 | 3.7 | COC1COCCC1N[C@@H]1C[C@H]2CCCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
CHEMBL2314065 | 86379 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 481 | 4 | 1 | 5 | 3.7 | COC1COCCC1N[C@@H]1C[C@H]2CCCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
44414578 | 78379 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 566 | 9 | 1 | 2 | 8.2 | C[C@](CCN1CCC(c2ccccc2)CC1)(CNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1 | 10.1021/jm060439n | ||
CHEMBL211106 | 78379 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 566 | 9 | 1 | 2 | 8.2 | C[C@](CCN1CCC(c2ccccc2)CC1)(CNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1 | 10.1021/jm060439n | ||
11570431 | 91953 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 564 | 13 | 1 | 4 | 7.9 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
CHEMBL241502 | 91953 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 564 | 13 | 1 | 4 | 7.9 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
44353418 | 22505 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 364 | 4 | 1 | 4 | 4.6 | O=C(O)c1cc2cccc([N+](=O)[O-])c2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
CHEMBL132584 | 22505 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 364 | 4 | 1 | 4 | 4.6 | O=C(O)c1cc2cccc([N+](=O)[O-])c2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
71768830 | 111078 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 485 | 4 | 1 | 6 | 3.0 | COC1COCCC1N[C@@H]1C[C@H]2SCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
CHEMBL3263261 | 111078 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 485 | 4 | 1 | 6 | 3.0 | COC1COCCC1N[C@@H]1C[C@H]2SCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
57344302 | 130621 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 554 | 7 | 3 | 4 | 5.3 | CC1(C)Cc2cc(/C=C/C(=O)N3CCC(C(NC4CCC(c5c[nH]c6ccccc56)CC4)C(N)=O)CC3)ccc2O1 | nan | ||
CHEMBL3681893 | 130621 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 554 | 7 | 3 | 4 | 5.3 | CC1(C)Cc2cc(/C=C/C(=O)N3CCC(C(NC4CCC(c5c[nH]c6ccccc56)CC4)C(N)=O)CC3)ccc2O1 | nan | ||
72663455 | 129375 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 469 | 4 | 1 | 6 | 2.3 | COC1COCCC1NC1CC2OCCC2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | nan | ||
CHEMBL3671251 | 129375 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 469 | 4 | 1 | 6 | 2.3 | COC1COCCC1NC1CC2OCCC2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | nan | ||
11753664 | 77593 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 596 | 9 | 2 | 6 | 5.3 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)cc1 | 10.1016/j.bmcl.2012.08.002 | ||
CHEMBL2088210 | 77593 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 596 | 9 | 2 | 6 | 5.3 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)cc1 | 10.1016/j.bmcl.2012.08.002 | ||
10207639 | 73783 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 508 | 12 | 4 | 5 | 3.7 | CCC[C@H](OC)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1N | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018538 | 73783 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 508 | 12 | 4 | 5 | 3.7 | CCC[C@H](OC)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1N | 10.1016/j.bmcl.2012.03.007 | ||
44595711 | 137296 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 332 | 2 | 1 | 1 | 5.1 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2ccc(Cl)c(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
CHEMBL3752627 | 137296 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 332 | 2 | 1 | 1 | 5.1 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2ccc(Cl)c(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
53322810 | 58442 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3nccc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
CHEMBL1683075 | 58442 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3nccc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
11409228 | 74505 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 490 | 6 | 3 | 5 | 2.9 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccccn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
CHEMBL2029412 | 74505 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 490 | 6 | 3 | 5 | 2.9 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccccn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
70689914 | 74523 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 552 | 6 | 2 | 9 | 3.0 | N#Cc1ccnc(N2CCC(C(=O)N3CC[C@H](N[C@H]4CC[C@@](O)(c5ccc(-c6ncccn6)cn5)CC4)C3)CC2)c1 | 10.1021/ml200199c | ||
CHEMBL2029571 | 74523 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 552 | 6 | 2 | 9 | 3.0 | N#Cc1ccnc(N2CCC(C(=O)N3CC[C@H](N[C@H]4CC[C@@](O)(c5ccc(-c6ncccn6)cn5)CC4)C3)CC2)c1 | 10.1021/ml200199c | ||
44453440 | 97660 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 448 | 7 | 3 | 4 | 3.0 | CCc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL271288 | 97660 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 448 | 7 | 3 | 4 | 3.0 | CCc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
10142792 | 93712 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 521 | 9 | 5 | 5 | 2.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL247245 | 93712 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 521 | 9 | 5 | 5 | 2.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
71768689 | 111084 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 469 | 4 | 1 | 6 | 2.3 | CO[C@H]1COCC[C@H]1N[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
CHEMBL3263269 | 111084 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 469 | 4 | 1 | 6 | 2.3 | CO[C@H]1COCC[C@H]1N[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
53319664 | 58647 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 461 | 6 | 1 | 5 | 2.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CCCC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.052 | ||
CHEMBL1684700 | 58647 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 461 | 6 | 1 | 5 | 2.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CCCC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.052 | ||
23630215 | 62514 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 508 | 5 | 1 | 5 | 4.3 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](NC2C3CCCC2COC3)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1782376 | 62514 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 508 | 5 | 1 | 5 | 4.3 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](NC2C3CCCC2COC3)C1 | 10.1016/j.bmcl.2011.01.034 | ||
53321482 | 58431 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 495 | 6 | 1 | 4 | 5.0 | CC[C@H]1COCC[C@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
CHEMBL1683064 | 58431 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 495 | 6 | 1 | 4 | 5.0 | CC[C@H]1COCC[C@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
53318314 | 58641 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 445 | 5 | 1 | 4 | 3.3 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CCCCC2)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.052 | ||
CHEMBL1684692 | 58641 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 445 | 5 | 1 | 4 | 3.3 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CCCCC2)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.052 | ||
53323654 | 58646 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 447 | 6 | 1 | 5 | 2.2 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CCC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.052 | ||
CHEMBL1684699 | 58646 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 447 | 6 | 1 | 5 | 2.2 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CCC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.052 | ||
72947191 | 105233 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 600 | 7 | 1 | 6 | 3.6 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)CCc3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
CHEMBL3115275 | 105233 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 600 | 7 | 1 | 6 | 3.6 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)CCc3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
49763574 | 65414 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 477 | 6 | 2 | 3 | 4.0 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@](F)(c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
CHEMBL1829636 | 65414 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 477 | 6 | 2 | 3 | 4.0 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@](F)(c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
44442532 | 93456 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 506 | 9 | 4 | 4 | 3.2 | Cc1ccc(CNC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL246213 | 93456 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 506 | 9 | 4 | 4 | 3.2 | Cc1ccc(CNC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
44442594 | 93744 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 611 | 12 | 5 | 5 | 4.9 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(NCc3ccccc3)cc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL247456 | 93744 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 611 | 12 | 5 | 5 | 4.9 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(NCc3ccccc3)cc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
10205937 | 93934 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 478 | 10 | 4 | 4 | 2.5 | CCNC(=O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL248419 | 93934 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 478 | 10 | 4 | 4 | 2.5 | CCNC(=O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | ||
10300282 | 154753 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 494 | 10 | 3 | 5 | 2.3 | CON(C)C(=O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL400158 | 154753 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 494 | 10 | 3 | 5 | 2.3 | CON(C)C(=O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | ||
22310954 | 24046 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 353 | 3 | 1 | 2 | 5.3 | O=C(O)c1cc2cc(Cl)ccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
CHEMBL133839 | 24046 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 353 | 3 | 1 | 2 | 5.3 | O=C(O)c1cc2cc(Cl)ccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
71518897 | 86360 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 433 | 4 | 1 | 5 | 3.0 | COC1COCCC1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc(Cl)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
CHEMBL2313782 | 86360 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 433 | 4 | 1 | 5 | 3.0 | COC1COCCC1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc(Cl)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
44442571 | 154756 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 508 | 10 | 4 | 5 | 2.6 | COc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)cc1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL400160 | 154756 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 508 | 10 | 4 | 5 | 2.6 | COc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)cc1 | 10.1016/j.bmcl.2007.07.028 | ||
11843946 | 139520 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 490 | 7 | 1 | 2 | 6.1 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCCCC1)c1ccc(F)cc1 | 10.1021/jm060439n | ||
CHEMBL379624 | 139520 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 490 | 7 | 1 | 2 | 6.1 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCCCC1)c1ccc(F)cc1 | 10.1021/jm060439n | ||
11844079 | 141452 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 580 | 9 | 1 | 2 | 7.9 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCCN1CCC(c2ccccc2)CC1)c1ccc(F)cc1 | 10.1021/jm060439n | ||
CHEMBL384368 | 141452 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 580 | 9 | 1 | 2 | 7.9 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCCN1CCC(c2ccccc2)CC1)c1ccc(F)cc1 | 10.1021/jm060439n | ||
23655877 | 169459 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 460 | 5 | 3 | 3 | 4.7 | O=C(O)C(C1CCN(C(=O)Nc2ccccc2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
CHEMBL443058 | 169459 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 460 | 5 | 3 | 3 | 4.7 | O=C(O)C(C1CCN(C(=O)Nc2ccccc2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
44395113 | 66087 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 546 | 8 | 1 | 5 | 5.2 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
CHEMBL183966 | 66087 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 546 | 8 | 1 | 5 | 5.2 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
44395058 | 66303 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 385 | 7 | 0 | 3 | 4.8 | c1ccc(C(CCN2CCCN(Cc3ccncc3)CC2)c2ccccc2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
CHEMBL185032 | 66303 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 385 | 7 | 0 | 3 | 4.8 | c1ccc(C(CCN2CCCN(Cc3ccncc3)CC2)c2ccccc2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
18426192 | 65976 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 399 | 7 | 2 | 3 | 3.1 | O=C(CNC(=O)c1ccccc1)NCC1CCN(Cc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2004.08.009 | ||
CHEMBL183681 | 65976 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 399 | 7 | 2 | 3 | 3.1 | O=C(CNC(=O)c1ccccc1)NCC1CCN(Cc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2004.08.009 | ||
44395093 | 67096 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 384 | 8 | 1 | 3 | 4.1 | O=C(CCCC(=O)c1ccccc1)NC1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2004.08.009 | ||
CHEMBL187476 | 67096 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 384 | 8 | 1 | 3 | 4.1 | O=C(CCCC(=O)c1ccccc1)NC1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2004.08.009 | ||
176 | 397 | 66 | None | -3 | 31 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
2157 | 397 | 66 | None | -3 | 31 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
2566 | 397 | 66 | None | -3 | 31 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
CHEMBL633 | 397 | 66 | None | -3 | 31 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
DB01118 | 397 | 66 | None | -3 | 31 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
44425322 | 153177 | 0 | None | - | 0 | Mouse | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 738 | 9 | 2 | 5 | 8.6 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)C3Cc4ccccc43)n2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | ||
CHEMBL397717 | 153177 | 0 | None | - | 0 | Mouse | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 738 | 9 | 2 | 5 | 8.6 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)C3Cc4ccccc43)n2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | ||
89823655 | 126294 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 521 | 5 | 1 | 5 | 4.1 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(C(F)(F)F)c2C)C1 | nan | ||
CHEMBL3650368 | 126294 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 521 | 5 | 1 | 5 | 4.1 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(C(F)(F)F)c2C)C1 | nan | ||
44444096 | 93961 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 486 | 6 | 0 | 3 | 6.1 | COc1ccccc1C1CCN(CC2CCN(C(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)CC1 | 10.1016/j.bmcl.2007.07.065 | ||
CHEMBL248617 | 93961 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 486 | 6 | 0 | 3 | 6.1 | COc1ccccc1C1CCN(CC2CCN(C(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)CC1 | 10.1016/j.bmcl.2007.07.065 | ||
44570713 | 179935 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 580 | 8 | 6 | 6 | 2.5 | CNC(=O)NC1CCC(NC(=O)c2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C1 | 10.1016/j.bmcl.2008.12.062 | ||
CHEMBL474665 | 179935 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 580 | 8 | 6 | 6 | 2.5 | CNC(=O)NC1CCC(NC(=O)c2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C1 | 10.1016/j.bmcl.2008.12.062 | ||
46830335 | 8183 | 8 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 565 | 8 | 2 | 5 | 2.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3ccccc3Cl)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL1092238 | 8183 | 8 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 565 | 8 | 2 | 5 | 2.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3ccccc3Cl)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
122181150 | 121812 | 0 | None | - | 0 | Mouse | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 608 | 7 | 1 | 3 | 7.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(CC1)OCCc1ccccc12)c1ccc(F)cc1 | 10.1016/j.bmc.2015.02.019 | ||
CHEMBL3589845 | 121812 | 0 | None | - | 0 | Mouse | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 608 | 7 | 1 | 3 | 7.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(CC1)OCCc1ccccc12)c1ccc(F)cc1 | 10.1016/j.bmc.2015.02.019 | ||
49863199 | 15177 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 528 | 9 | 1 | 4 | 7.1 | O=C(CCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1)NCCCc1ccncc1 | 10.1016/j.ejmech.2010.04.024 | ||
CHEMBL1210667 | 15177 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 528 | 9 | 1 | 4 | 7.1 | O=C(CCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1)NCCCc1ccncc1 | 10.1016/j.ejmech.2010.04.024 | ||
44439158 | 146802 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 542 | 10 | 1 | 4 | 7.5 | O=C(CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1)NCCCc1ccncc1 | 10.1016/j.bmcl.2006.10.060 | ||
CHEMBL392493 | 146802 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 542 | 10 | 1 | 4 | 7.5 | O=C(CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1)NCCCc1ccncc1 | 10.1016/j.bmcl.2006.10.060 | ||
46884818 | 7839 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 548 | 8 | 2 | 4 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccccc3F)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL1089881 | 7839 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 548 | 8 | 2 | 4 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccccc3F)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
22310877 | 19511 | 1 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 285 | 3 | 1 | 2 | 4.0 | O=C(O)c1cc2ccccc2n1Cc1cccc(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
CHEMBL129958 | 19511 | 1 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 285 | 3 | 1 | 2 | 4.0 | O=C(O)c1cc2ccccc2n1Cc1cccc(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
42632811 | 93444 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 407 | 5 | 1 | 2 | 5.0 | C[N+](C)(Cc1cccc(NC(=O)c2ccc(Cl)c(Cl)c2)c1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
CHEMBL246104 | 93444 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 407 | 5 | 1 | 2 | 5.0 | C[N+](C)(Cc1cccc(NC(=O)c2ccc(Cl)c(Cl)c2)c1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
127027628 | 137447 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 298 | 2 | 1 | 1 | 4.7 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2cc(Cl)cc(Cl)c2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
CHEMBL3753826 | 137447 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 298 | 2 | 1 | 1 | 4.7 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2cc(Cl)cc(Cl)c2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
44453373 | 97783 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 435 | 7 | 2 | 4 | 2.8 | COc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL271935 | 97783 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 435 | 7 | 2 | 4 | 2.8 | COc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
44454793 | 155068 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 515 | 4 | 0 | 3 | 7.0 | C[C@H]1CN([C@@H]2CC[C@@]3(CCO[C@@H]3OCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.016 | ||
CHEMBL401890 | 155068 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 515 | 4 | 0 | 3 | 7.0 | C[C@H]1CN([C@@H]2CC[C@@]3(CCO[C@@H]3OCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.016 | ||
23656261 | 89044 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 485 | 6 | 2 | 3 | 5.1 | Cc1ccc(/C=C/C(=O)N2CCC(C(C(=O)O)N3CCC(c4c[nH]c5ccccc45)CC3)CC2)cc1 | 10.1021/jm070902b | ||
CHEMBL236510 | 89044 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 485 | 6 | 2 | 3 | 5.1 | Cc1ccc(/C=C/C(=O)N2CCC(C(C(=O)O)N3CCC(c4c[nH]c5ccccc45)CC3)CC2)cc1 | 10.1021/jm070902b | ||
53318855 | 58450 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 514 | 8 | 1 | 7 | 2.7 | COCC[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](N[C@H]2CCOC[C@H]2OC)C1 | 10.1016/j.bmcl.2011.01.015 | ||
CHEMBL1683083 | 58450 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 514 | 8 | 1 | 7 | 2.7 | COCC[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](N[C@H]2CCOC[C@H]2OC)C1 | 10.1016/j.bmcl.2011.01.015 | ||
44453409 | 95410 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 419 | 6 | 2 | 3 | 3.1 | Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL257065 | 95410 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 419 | 6 | 2 | 3 | 3.1 | Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
44453441 | 97661 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 498 | 6 | 3 | 4 | 3.2 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Br)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL271289 | 97661 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 498 | 6 | 3 | 4 | 3.2 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Br)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
72946982 | 105202 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 602 | 6 | 1 | 7 | 3.8 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCc3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
CHEMBL3115103 | 105202 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 602 | 6 | 1 | 7 | 3.8 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCc3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
46842086 | 7947 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 544 | 8 | 2 | 4 | 3.9 | Cc1cccc(C(=O)N2CCC(CCN3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)c1 | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL1090548 | 7947 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 544 | 8 | 2 | 4 | 3.9 | Cc1cccc(C(=O)N2CCC(CCN3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)c1 | 10.1016/j.bmcl.2010.02.072 | ||
44580424 | 188002 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 494 | 8 | 4 | 5 | 4.0 | CSc1ccc(CNC2CCCCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
CHEMBL497576 | 188002 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 494 | 8 | 4 | 5 | 4.0 | CSc1ccc(CNC2CCCCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
11502188 | 75172 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 398 | 4 | 1 | 3 | 3.9 | CCN1CCC[C@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036752 | 75172 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 398 | 4 | 1 | 3 | 3.9 | CCN1CCC[C@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
10184007 | 159037 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 475 | 7 | 3 | 3 | 4.6 | Cc1cc(C)c(CN[C@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)c(C)c1 | 10.1021/jm701488f | ||
CHEMBL409712 | 159037 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 475 | 7 | 3 | 3 | 4.6 | Cc1cc(C)c(CN[C@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)c(C)c1 | 10.1021/jm701488f | ||
22310971 | 20454 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 387 | 3 | 1 | 2 | 5.7 | O=C(O)c1cc2c(C(F)(F)F)cccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
CHEMBL130724 | 20454 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 387 | 3 | 1 | 2 | 5.7 | O=C(O)c1cc2c(C(F)(F)F)cccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
22143196 | 183963 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 509 | 7 | 5 | 6 | 2.0 | CSc1ccc(C(=O)NC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
CHEMBL481790 | 183963 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 509 | 7 | 5 | 6 | 2.0 | CSc1ccc(C(=O)NC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
56671923 | 65709 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 471 | 6 | 3 | 4 | 4.5 | O=C(CNc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834631 | 65709 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 471 | 6 | 3 | 4 | 4.5 | O=C(CNc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
54755079 | 65711 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 528 | 8 | 4 | 5 | 3.5 | NC(=O)Cc1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4n[nH]c5ccc(C(F)(F)F)cc45)C3)CC2)cc1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834633 | 65711 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 528 | 8 | 4 | 5 | 3.5 | NC(=O)Cc1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4n[nH]c5ccc(C(F)(F)F)cc45)C3)CC2)cc1 | 10.1016/j.bmcl.2011.08.074 | ||
54754968 | 65712 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 502 | 7 | 3 | 6 | 3.9 | COc1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4n[nH]c5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834634 | 65712 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 502 | 7 | 3 | 6 | 3.9 | COc1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4n[nH]c5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2011.08.074 | ||
57400452 | 70480 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 539 | 9 | 3 | 5 | 3.6 | CC(C)N[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
CHEMBL1946832 | 70480 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 539 | 9 | 3 | 5 | 3.6 | CC(C)N[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
57393347 | 70310 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 623 | 10 | 4 | 6 | 3.4 | CCN[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCC2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
CHEMBL1944777 | 70310 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 623 | 10 | 4 | 6 | 3.4 | CCN[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCC2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
44416138 | 138849 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 564 | 7 | 1 | 2 | 7.5 | C[C@H]1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CCC2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | ||
CHEMBL378195 | 138849 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 564 | 7 | 1 | 2 | 7.5 | C[C@H]1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CCC2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | ||
9850318 | 95216 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 542 | 6 | 1 | 4 | 6.2 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cncnc3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
CHEMBL256154 | 95216 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 542 | 6 | 1 | 4 | 6.2 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cncnc3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
53324942 | 58648 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 469 | 6 | 1 | 5 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2ccccc2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.052 | ||
CHEMBL1684701 | 58648 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 469 | 6 | 1 | 5 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2ccccc2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.052 | ||
12093170 | 869 | 31 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 351 | 3 | 1 | 3 | 4.2 | Clc1ccc(c(c1)F)N1[C@H](C2CCCCC2)C(=C(C1=O)O)C(=O)C | 10.1021/acs.jmedchem.0c01137 | ||
9431 | 869 | 31 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 351 | 3 | 1 | 3 | 4.2 | Clc1ccc(c(c1)F)N1[C@H](C2CCCCC2)C(=C(C1=O)O)C(=O)C | 10.1021/acs.jmedchem.0c01137 | ||
CHEMBL4519152 | 869 | 31 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 351 | 3 | 1 | 3 | 4.2 | Clc1ccc(c(c1)F)N1[C@H](C2CCCCC2)C(=C(C1=O)O)C(=O)C | 10.1021/acs.jmedchem.0c01137 | ||
162658125 | 181072 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
CHEMBL4760108 | 181072 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
53326225 | 58640 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 431 | 5 | 1 | 4 | 3.0 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CCCC2)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.052 | ||
CHEMBL1684691 | 58640 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 431 | 5 | 1 | 4 | 3.0 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CCCC2)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.052 | ||
44583283 | 188262 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 714 | 11 | 3 | 8 | 6.0 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL500175 | 188262 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 714 | 11 | 3 | 8 | 6.0 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
22143305 | 183588 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 506 | 9 | 3 | 5 | 3.2 | COc1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
CHEMBL480228 | 183588 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 506 | 9 | 3 | 5 | 3.2 | COc1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
12093170 | 869 | 31 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 351 | 3 | 1 | 3 | 4.2 | Clc1ccc(c(c1)F)N1[C@H](C2CCCCC2)C(=C(C1=O)O)C(=O)C | 10.1021/acs.jmedchem.0c01137 | ||
9431 | 869 | 31 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 351 | 3 | 1 | 3 | 4.2 | Clc1ccc(c(c1)F)N1[C@H](C2CCCCC2)C(=C(C1=O)O)C(=O)C | 10.1021/acs.jmedchem.0c01137 | ||
CHEMBL4519152 | 869 | 31 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 351 | 3 | 1 | 3 | 4.2 | Clc1ccc(c(c1)F)N1[C@H](C2CCCCC2)C(=C(C1=O)O)C(=O)C | 10.1021/acs.jmedchem.0c01137 | ||
162658125 | 181072 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
CHEMBL4760108 | 181072 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
53324943 | 58654 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 491 | 6 | 1 | 4 | 3.3 | CC(CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C(C)C)CC[C@@H](NC2CCOCC2F)C1)C(F)(F)F | 10.1016/j.bmcl.2011.01.052 | ||
CHEMBL1684707 | 58654 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 491 | 6 | 1 | 4 | 3.3 | CC(CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C(C)C)CC[C@@H](NC2CCOCC2F)C1)C(F)(F)F | 10.1016/j.bmcl.2011.01.052 | ||
57343818 | 130603 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 524 | 7 | 3 | 3 | 5.1 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc3c(c2)CCC3)CC1 | nan | ||
CHEMBL3681876 | 130603 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 524 | 7 | 3 | 3 | 5.1 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc3c(c2)CCC3)CC1 | nan | ||
86767127 | 129384 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 483 | 4 | 1 | 7 | 1.8 | COC1COCCC1NC1CC2OC(=O)CC2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | nan | ||
CHEMBL3671260 | 129384 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 483 | 4 | 1 | 7 | 1.8 | COC1COCCC1NC1CC2OC(=O)CC2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | nan | ||
56671924 | 65717 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 491 | 6 | 2 | 5 | 4.9 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](C4CCCCC4)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834639 | 65717 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 491 | 6 | 2 | 5 | 4.9 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](C4CCCCC4)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
44441358 | 149822 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 427 | 5 | 1 | 3 | 4.5 | C[N+](C)(Cc1ccc(NC(=O)C2=Cc3ccc(Cl)cc3OC2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
CHEMBL394897 | 149822 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 427 | 5 | 1 | 3 | 4.5 | C[N+](C)(Cc1ccc(NC(=O)C2=Cc3ccc(Cl)cc3OC2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
52942863 | 19217 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 475 | 6 | 3 | 4 | 2.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)C2)C[C@@H]1O | 10.1016/j.bmcl.2010.10.020 | ||
CHEMBL1290186 | 19217 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 475 | 6 | 3 | 4 | 2.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)C2)C[C@@H]1O | 10.1016/j.bmcl.2010.10.020 | ||
44442581 | 93519 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 507 | 9 | 5 | 5 | 2.5 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)cc1N | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL246410 | 93519 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 507 | 9 | 5 | 5 | 2.5 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)cc1N | 10.1016/j.bmcl.2007.07.028 | ||
44442555 | 93697 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 520 | 11 | 4 | 4 | 3.6 | CCC(C)(C)NC(=O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL247203 | 93697 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 520 | 11 | 4 | 4 | 3.6 | CCC(C)(C)NC(=O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | ||
44442554 | 93938 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 506 | 11 | 4 | 4 | 3.1 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NCC(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL248423 | 93938 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 506 | 11 | 4 | 4 | 3.1 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NCC(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
11844595 | 136341 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 604 | 7 | 1 | 2 | 8.0 | C[C@@H]1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CC[C@]12C=Cc1ccccc12 | 10.1021/jm060439n | ||
CHEMBL373491 | 136341 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 604 | 7 | 1 | 2 | 8.0 | C[C@@H]1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CC[C@]12C=Cc1ccccc12 | 10.1021/jm060439n | ||
44353395 | 20061 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 333 | 3 | 1 | 2 | 5.0 | Cc1ccc(Cn2c(C(=O)O)cc3cc(Cl)ccc32)cc1Cl | 10.1016/j.bmcl.2003.10.049 | ||
CHEMBL130403 | 20061 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 333 | 3 | 1 | 2 | 5.0 | Cc1ccc(Cn2c(C(=O)O)cc3cc(Cl)ccc32)cc1Cl | 10.1016/j.bmcl.2003.10.049 | ||
11635092 | 89796 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 528 | 5 | 3 | 3 | 5.8 | O=C(O)C(C1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
CHEMBL237753 | 89796 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 528 | 5 | 3 | 3 | 5.8 | O=C(O)C(C1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
69212799 | 77947 | 3 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 439 | 6 | 2 | 3 | 3.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2004.08.009 | ||
CHEMBL2096789 | 77947 | 3 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 439 | 6 | 2 | 3 | 3.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2004.08.009 | ||
56677296 | 65390 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 503 | 6 | 2 | 5 | 3.7 | O=C(CNC(=O)c1ccc(C(F)(F)F)cc1)NC1CN([C@H]2CC[C@H](c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
CHEMBL1829611 | 65390 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 503 | 6 | 2 | 5 | 3.7 | O=C(CNC(=O)c1ccc(C(F)(F)F)cc1)NC1CN([C@H]2CC[C@H](c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
25256791 | 187667 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 494 | 6 | 2 | 3 | 5.6 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N[C@H]2CCOC[C@H]2C)C1 | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL495202 | 187667 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 494 | 6 | 2 | 3 | 5.6 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N[C@H]2CCOC[C@H]2C)C1 | 10.1016/j.bmcl.2010.02.072 | ||
10143025 | 93508 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 526 | 10 | 4 | 4 | 4.0 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)Nc2ccccc2)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL246397 | 93508 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 526 | 10 | 4 | 4 | 4.0 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)Nc2ccccc2)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
44444008 | 155021 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 478 | 9 | 1 | 2 | 6.8 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.07.065 | ||
CHEMBL401637 | 155021 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 478 | 9 | 1 | 2 | 6.8 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.07.065 | ||
44395194 | 64737 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 496 | 8 | 1 | 5 | 4.1 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccccc3)c3cccc(F)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
CHEMBL181918 | 64737 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 496 | 8 | 1 | 5 | 4.1 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccccc3)c3cccc(F)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
25008679 | 94149 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 454 | 7 | 1 | 3 | 5.2 | COc1ccc(C2CCN(C[C@H]3CC[C@@H](NC(=O)/C=C/c4cc(F)cc(F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | ||
CHEMBL249607 | 94149 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 454 | 7 | 1 | 3 | 5.2 | COc1ccc(C2CCN(C[C@H]3CC[C@@H](NC(=O)/C=C/c4cc(F)cc(F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | ||
24801178 | 156818 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 481 | 6 | 3 | 3 | 3.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)cc1 | 10.1021/jm701488f | ||
CHEMBL407145 | 156818 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 481 | 6 | 3 | 3 | 3.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)cc1 | 10.1021/jm701488f | ||
44453329 | 155327 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 431 | 7 | 2 | 3 | 3.5 | C=Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL403281 | 155327 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 431 | 7 | 2 | 3 | 3.5 | C=Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
22310903 | 22582 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 349 | 4 | 1 | 3 | 4.7 | COc1cccc2cc(C(=O)O)n(Cc3ccc(Cl)c(Cl)c3)c12 | 10.1016/j.bmcl.2003.10.049 | ||
CHEMBL132662 | 22582 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 349 | 4 | 1 | 3 | 4.7 | COc1cccc2cc(C(=O)O)n(Cc3ccc(Cl)c(Cl)c3)c12 | 10.1016/j.bmcl.2003.10.049 | ||
76325121 | 105214 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 510 | 5 | 1 | 6 | 2.9 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(C)C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
CHEMBL3115115 | 105214 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 510 | 5 | 1 | 6 | 2.9 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(C)C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
57344309 | 130627 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 485 | 7 | 3 | 4 | 4.0 | NC(=O)C(N[C@H]1CC[C@H](c2c[nH]c3cccnc32)CC1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 | nan | ||
CHEMBL3681899 | 130627 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 485 | 7 | 3 | 4 | 4.0 | NC(=O)C(N[C@H]1CC[C@H](c2c[nH]c3cccnc32)CC1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 | nan | ||
49863201 | 15179 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 536 | 12 | 1 | 4 | 7.2 | CCN(CC)CCCCNC(=O)CCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
CHEMBL1210669 | 15179 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 536 | 12 | 1 | 4 | 7.2 | CCN(CC)CCCCNC(=O)CCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
11663995 | 146803 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 550 | 13 | 1 | 4 | 7.6 | CCN(CC)CCCCNC(=O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
CHEMBL392494 | 146803 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 550 | 13 | 1 | 4 | 7.6 | CCN(CC)CCCCNC(=O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
11567495 | 75170 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 398 | 4 | 1 | 3 | 3.9 | CCN1CCCC(CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036750 | 75170 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 398 | 4 | 1 | 3 | 3.9 | CCN1CCCC(CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
10052388 | 187528 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 520 | 7 | 2 | 3 | 5.9 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2C2CC2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
CHEMBL494541 | 187528 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 520 | 7 | 2 | 3 | 5.9 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2C2CC2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
22143308 | 187740 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 509 | 9 | 5 | 6 | 2.8 | CCSc1ccc(CNC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
CHEMBL495717 | 187740 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 509 | 9 | 5 | 6 | 2.8 | CCSc1ccc(CNC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
44573609 | 187529 | 1 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 496 | 6 | 3 | 4 | 4.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2O)C1 | 10.1007/s00044-010-9501-4 | ||
CHEMBL494542 | 187529 | 1 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 496 | 6 | 3 | 4 | 4.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2O)C1 | 10.1007/s00044-010-9501-4 | ||
10256127 | 73784 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 520 | 10 | 4 | 5 | 3.6 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)N1CC[C@H](NC(=O)c2cc(N)cc(C(F)(F)F)c2)C1=O | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018539 | 73784 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 520 | 10 | 4 | 5 | 3.6 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)N1CC[C@H](NC(=O)c2cc(N)cc(C(F)(F)F)c2)C1=O | 10.1016/j.bmcl.2012.03.007 | ||
44353356 | 117574 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 395 | 4 | 1 | 2 | 6.4 | O=C(O)c1cc2ccc(-c3ccccc3)cc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
CHEMBL340072 | 117574 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 395 | 4 | 1 | 2 | 6.4 | O=C(O)c1cc2ccc(-c3ccccc3)cc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
11227383 | 77618 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 620 | 11 | 2 | 5 | 6.2 | CC(C)CCc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)cc1 | 10.1016/j.bmcl.2012.08.002 | ||
CHEMBL2088387 | 77618 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 620 | 11 | 2 | 5 | 6.2 | CC(C)CCc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)cc1 | 10.1016/j.bmcl.2012.08.002 | ||
71226374 | 86377 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 437 | 3 | 1 | 4 | 3.7 | O=C(N1CCc2ncc(C(F)(F)F)cc2C1)[C@@]12CCC[C@@H]1C[C@@H](NC1CCOCC1)C2 | 10.1016/j.bmcl.2012.10.069 | ||
CHEMBL2314061 | 86377 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 437 | 3 | 1 | 4 | 3.7 | O=C(N1CCc2ncc(C(F)(F)F)cc2C1)[C@@]12CCC[C@@H]1C[C@@H](NC1CCOCC1)C2 | 10.1016/j.bmcl.2012.10.069 | ||
44416066 | 79758 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 643 | 8 | 2 | 4 | 5.6 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(C=Cc3ccccc32)CC1)NS(=O)(=O)C(F)(F)F | 10.1016/j.bmcl.2006.07.011 | ||
CHEMBL211923 | 79758 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 643 | 8 | 2 | 4 | 5.6 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(C=Cc3ccccc32)CC1)NS(=O)(=O)C(F)(F)F | 10.1016/j.bmcl.2006.07.011 | ||
22310929 | 168270 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 337 | 3 | 1 | 2 | 4.8 | O=C(O)c1cc2cccc(F)c2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
CHEMBL434059 | 168270 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 337 | 3 | 1 | 2 | 4.8 | O=C(O)c1cc2cccc(F)c2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
71517402 | 86353 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 535 | 4 | 1 | 5 | 4.1 | COC1COCCC1N[C@@H]1C[C@H]2C[C@H](C(F)(F)F)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
CHEMBL2313774 | 86353 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 535 | 4 | 1 | 5 | 4.1 | COC1COCCC1N[C@@H]1C[C@H]2C[C@H](C(F)(F)F)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
72946204 | 105225 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 524 | 5 | 1 | 7 | 1.9 | COC1COCCC1N[C@@H]1C[C@H]2CN(C3COC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
CHEMBL3115267 | 105225 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 524 | 5 | 1 | 7 | 1.9 | COC1COCCC1N[C@@H]1C[C@H]2CN(C3COC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
44415904 | 80401 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 514 | 9 | 1 | 2 | 7.0 | CCC[C@H](CCN1CCC(c2ccccc2)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | ||
CHEMBL214641 | 80401 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 514 | 9 | 1 | 2 | 7.0 | CCC[C@H](CCN1CCC(c2ccccc2)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | ||
11329328 | 74504 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 490 | 6 | 3 | 5 | 2.9 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3cccnc3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
CHEMBL2029411 | 74504 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 490 | 6 | 3 | 5 | 2.9 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3cccnc3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
44425630 | 85998 | 0 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 550 | 4 | 1 | 2 | 7.2 | C[C@H]1CN([C@@H]2CC[C@](C)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
CHEMBL230617 | 85998 | 0 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 550 | 4 | 1 | 2 | 7.2 | C[C@H]1CN([C@@H]2CC[C@](C)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
44444035 | 94258 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 460 | 9 | 2 | 3 | 5.9 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2ccc(O)cc2)CC1 | 10.1016/j.bmcl.2007.07.065 | ||
CHEMBL250408 | 94258 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 460 | 9 | 2 | 3 | 5.9 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2ccc(O)cc2)CC1 | 10.1016/j.bmcl.2007.07.065 | ||
44353617 | 19633 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 334 | 3 | 2 | 3 | 4.3 | Nc1ccc2cc(C(=O)O)n(Cc3ccc(Cl)c(Cl)c3)c2c1 | 10.1016/j.bmcl.2003.10.049 | ||
CHEMBL130065 | 19633 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 334 | 3 | 2 | 3 | 4.3 | Nc1ccc2cc(C(=O)O)n(Cc3ccc(Cl)c(Cl)c3)c2c1 | 10.1016/j.bmcl.2003.10.049 | ||
57656942 | 75010 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 376 | 4 | 1 | 3 | 3.4 | O=C(Nc1ccc(Cl)cc1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2035000 | 75010 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 376 | 4 | 1 | 3 | 3.4 | O=C(Nc1ccc(Cl)cc1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
22310953 | 23933 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 387 | 3 | 1 | 2 | 5.7 | O=C(O)c1cc2cccc(C(F)(F)F)c2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
CHEMBL133748 | 23933 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 387 | 3 | 1 | 2 | 5.7 | O=C(O)c1cc2cccc(C(F)(F)F)c2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
44353170 | 21383 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 318 | 3 | 1 | 2 | 4.1 | NC(=O)c1cc2ccccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
CHEMBL131493 | 21383 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 318 | 3 | 1 | 2 | 4.1 | NC(=O)c1cc2ccccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
44425650 | 86101 | 0 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 570 | 9 | 1 | 2 | 8.3 | CCCCCCC1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
CHEMBL231143 | 86101 | 0 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 570 | 9 | 1 | 2 | 8.3 | CCCCCCC1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
89853102 | 111077 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 552 | 5 | 1 | 8 | 3.5 | COC1COCCC1N[C@@H]1C[C@H]2OC(c3nccs3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
CHEMBL3263260 | 111077 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 552 | 5 | 1 | 8 | 3.5 | COC1COCCC1N[C@@H]1C[C@H]2OC(c3nccs3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
44415903 | 81121 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 512 | 8 | 1 | 2 | 6.6 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC(c2ccccc2)CC1)C1CC1 | 10.1016/j.bmcl.2006.07.011 | ||
CHEMBL215759 | 81121 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 512 | 8 | 1 | 2 | 6.6 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC(c2ccccc2)CC1)C1CC1 | 10.1016/j.bmcl.2006.07.011 | ||
89823502 | 126288 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 525 | 5 | 1 | 5 | 4.0 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(C(F)(F)F)c2F)C1 | nan | ||
CHEMBL3650362 | 126288 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 525 | 5 | 1 | 5 | 4.0 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(C(F)(F)F)c2F)C1 | nan | ||
56643545 | 130597 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(N[C@H]1CC[C@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | nan | ||
CHEMBL3681870 | 130597 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(N[C@H]1CC[C@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | nan | ||
11192346 | 2011 | 57 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
9032 | 2011 | 57 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
CHEMBL2029422 | 2011 | 57 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
46947816 | 65403 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 476 | 6 | 3 | 5 | 3.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccc(O)cn3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
CHEMBL1829624 | 65403 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 476 | 6 | 3 | 5 | 3.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccc(O)cn3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
56664979 | 65713 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 529 | 6 | 2 | 7 | 4.3 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4ccc5c(c4)OCO5)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834635 | 65713 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 529 | 6 | 2 | 7 | 4.3 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4ccc5c(c4)OCO5)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
56671925 | 65719 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 481 | 7 | 2 | 7 | 2.9 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(C)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834640 | 65719 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 481 | 7 | 2 | 7 | 2.9 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(C)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
56678508 | 65771 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 492 | 6 | 2 | 7 | 4.0 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4nccs4)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834794 | 65771 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 492 | 6 | 2 | 7 | 4.0 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4nccs4)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
44415899 | 80045 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 550 | 7 | 1 | 2 | 7.1 | C[C@H]1CN(CC[C@@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CC2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | ||
CHEMBL213058 | 80045 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 550 | 7 | 1 | 2 | 7.1 | C[C@H]1CN(CC[C@@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CC2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | ||
44425641 | 86037 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 596 | 6 | 1 | 3 | 7.5 | CSC[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
CHEMBL230832 | 86037 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 596 | 6 | 1 | 3 | 7.5 | CSC[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
44413258 | 77729 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 446 | 8 | 1 | 2 | 5.5 | CN(C)CCC[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | ||
CHEMBL209063 | 77729 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 446 | 8 | 1 | 2 | 5.5 | CN(C)CCC[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | ||
44425315 | 86219 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 536 | 8 | 2 | 5 | 5.4 | CC(=O)Nc1nc(C(CCN2CCCCC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
CHEMBL231252 | 86219 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 536 | 8 | 2 | 5 | 5.4 | CC(=O)Nc1nc(C(CCN2CCCCC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
44425319 | 86306 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 727 | 10 | 2 | 6 | 7.9 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)Cc3ccccn3)n2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | ||
CHEMBL231340 | 86306 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 727 | 10 | 2 | 6 | 7.9 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)Cc3ccccn3)n2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | ||
53318315 | 58643 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 473 | 6 | 1 | 4 | 3.4 | CC(CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C(C)C)CC[C@@H](NC2CCOCC2)C1)C(F)(F)F | 10.1016/j.bmcl.2011.01.052 | ||
CHEMBL1684695 | 58643 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 473 | 6 | 1 | 4 | 3.4 | CC(CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C(C)C)CC[C@@H](NC2CCOCC2)C1)C(F)(F)F | 10.1016/j.bmcl.2011.01.052 | ||
54584109 | 62517 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 509 | 5 | 1 | 6 | 3.7 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)cnn3)CC2)CC[C@@H](NC2C3CCCC2COC3)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1782379 | 62517 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 509 | 5 | 1 | 6 | 3.7 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)cnn3)CC2)CC[C@@H](NC2C3CCCC2COC3)C1 | 10.1016/j.bmcl.2011.01.034 | ||
10187492 | 147765 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 549 | 11 | 5 | 5 | 3.7 | CCNc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H](CNCc1ccc(C)cc1C)C(=O)NC(C)(C)C | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL393267 | 147765 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 549 | 11 | 5 | 5 | 3.7 | CCNc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H](CNCc1ccc(C)cc1C)C(=O)NC(C)(C)C | 10.1016/j.bmcl.2007.07.028 | ||
69285531 | 121201 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 441 | 8 | 2 | 3 | 4.2 | CCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | ||
CHEMBL3577935 | 121201 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 441 | 8 | 2 | 3 | 4.2 | CCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | ||
10152864 | 187850 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 543 | 8 | 3 | 6 | 3.2 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL496432 | 187850 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 543 | 8 | 3 | 6 | 3.2 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
44425288 | 85986 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 570 | 8 | 2 | 5 | 6.4 | Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
CHEMBL230507 | 85986 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 570 | 8 | 2 | 5 | 6.4 | Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
44425304 | 143342 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 670 | 9 | 2 | 6 | 8.2 | CC(C)(C)OC(=O)Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
CHEMBL389773 | 143342 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 670 | 9 | 2 | 6 | 8.2 | CC(C)(C)OC(=O)Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
53326721 | 58463 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 554 | 6 | 2 | 7 | 2.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(O)C(F)(F)F)C1 | 10.1016/j.bmcl.2011.01.015 | ||
CHEMBL1683189 | 58463 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 554 | 6 | 2 | 7 | 2.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(O)C(F)(F)F)C1 | 10.1016/j.bmcl.2011.01.015 | ||
53326901 | 58652 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 449 | 5 | 1 | 4 | 2.9 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CCCC2)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2011.01.052 | ||
CHEMBL1684705 | 58652 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 449 | 5 | 1 | 4 | 2.9 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CCCC2)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2011.01.052 | ||
57343820 | 68925 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 518 | 7 | 3 | 3 | 5.2 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc(Cl)cc2)CC1 | nan | ||
CHEMBL1922816 | 68925 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 518 | 7 | 3 | 3 | 5.2 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc(Cl)cc2)CC1 | nan | ||
57343819 | 130600 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 541 | 6 | 4 | 3 | 5.6 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 | nan | ||
CHEMBL3681873 | 130600 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 541 | 6 | 4 | 3 | 5.6 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 | nan | ||
57344311 | 130629 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 521 | 7 | 3 | 4 | 4.3 | NC(=O)C(NC1CCC(c2c[nH]c3cccnc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | nan | ||
CHEMBL3681900 | 130629 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 521 | 7 | 3 | 4 | 4.3 | NC(=O)C(NC1CCC(c2c[nH]c3cccnc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | nan | ||
71719764 | 86356 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 510 | 5 | 2 | 6 | 2.0 | COC1COCCC1N[C@@H]1C[C@H]2C[C@@H](C(N)=O)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
CHEMBL2313777 | 86356 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 510 | 5 | 2 | 6 | 2.0 | COC1COCCC1N[C@@H]1C[C@H]2C[C@@H](C(N)=O)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
57396832 | 70306 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 525 | 8 | 2 | 5 | 3.1 | CN(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
CHEMBL1944773 | 70306 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 525 | 8 | 2 | 5 | 3.1 | CN(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
53320968 | 58638 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 403 | 5 | 1 | 4 | 2.2 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CC2)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.052 | ||
CHEMBL1684689 | 58638 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 403 | 5 | 1 | 4 | 2.2 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CC2)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.052 | ||
44442553 | 93459 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 492 | 10 | 4 | 4 | 2.9 | CCNC(=O)[C@@H](NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1)[C@@H](C)NCc1ccc(C)cc1C | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL246221 | 93459 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 492 | 10 | 4 | 4 | 2.9 | CCNC(=O)[C@@H](NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1)[C@@H](C)NCc1ccc(C)cc1C | 10.1016/j.bmcl.2007.07.028 | ||
44442595 | 166384 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 577 | 12 | 5 | 5 | 4.3 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(NCC(C)C)cc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL427705 | 166384 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 577 | 12 | 5 | 5 | 4.3 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(NCC(C)C)cc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
44444113 | 94150 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 472 | 7 | 1 | 3 | 5.3 | COc1ccc(C2CCN(CC3CCC(NC(=O)/C=C/c4cc(F)c(F)c(F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | ||
CHEMBL249608 | 94150 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 472 | 7 | 1 | 3 | 5.3 | COc1ccc(C2CCN(CC3CCC(NC(=O)/C=C/c4cc(F)c(F)c(F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | ||
11606411 | 85279 | 0 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 550 | 4 | 1 | 2 | 7.2 | C[C@H]1CN([C@@H]2CC[C@](C)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@@]12C=Cc1ccccc12 | 10.1021/jm070166b | ||
CHEMBL226066 | 85279 | 0 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 550 | 4 | 1 | 2 | 7.2 | C[C@H]1CN([C@@H]2CC[C@](C)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@@]12C=Cc1ccccc12 | 10.1021/jm070166b | ||
72946384 | 105228 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 546 | 5 | 1 | 8 | 2.5 | COC1COCCC1N[C@@H]1C[C@H]2CN(c3ncccn3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
CHEMBL3115270 | 105228 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 546 | 5 | 1 | 8 | 2.5 | COC1COCCC1N[C@@H]1C[C@H]2CN(c3ncccn3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
44442583 | 93521 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 536 | 10 | 4 | 5 | 3.3 | COc1cc(C)c(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)cc1C | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL246412 | 93521 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 536 | 10 | 4 | 5 | 3.3 | COc1cc(C)c(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)cc1C | 10.1016/j.bmcl.2007.07.028 | ||
9890559 | 66098 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 462 | 8 | 0 | 4 | 4.8 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
CHEMBL184053 | 66098 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 462 | 8 | 0 | 4 | 4.8 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
11273475 | 77617 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 606 | 10 | 2 | 5 | 5.8 | CC(C)Cc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)cc1 | 10.1016/j.bmcl.2012.08.002 | ||
CHEMBL2088386 | 77617 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 606 | 10 | 2 | 5 | 5.8 | CC(C)Cc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)cc1 | 10.1016/j.bmcl.2012.08.002 | ||
46884898 | 7685 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 564 | 8 | 2 | 4 | 4.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccccc3Cl)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL1088874 | 7685 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 564 | 8 | 2 | 4 | 4.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccccc3Cl)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
22310946 | 20723 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 364 | 4 | 1 | 4 | 4.6 | O=C(O)c1cc2c([N+](=O)[O-])cccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
CHEMBL130937 | 20723 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 364 | 4 | 1 | 4 | 4.6 | O=C(O)c1cc2c([N+](=O)[O-])cccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
57344310 | 68907 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 539 | 7 | 3 | 4 | 4.4 | NC(=O)C(NC1CCC(c2c[nH]c3ncccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | ||
CHEMBL1922794 | 68907 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 539 | 7 | 3 | 4 | 4.4 | NC(=O)C(NC1CCC(c2c[nH]c3ncccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | ||
15518124 | 138401 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 402 | 5 | 1 | 3 | 5.5 | CN(CCN1CCCCC1)c1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 | 10.1016/j.bmcl.2006.04.045 | ||
CHEMBL377432 | 138401 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 402 | 5 | 1 | 3 | 5.5 | CN(CCN1CCCCC1)c1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 | 10.1016/j.bmcl.2006.04.045 | ||
44425649 | 86100 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 554 | 6 | 1 | 2 | 7.5 | C[C@H]1CN(C2CCC(CC3CCC3)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
CHEMBL231142 | 86100 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 554 | 6 | 1 | 2 | 7.5 | C[C@H]1CN(C2CCC(CC3CCC3)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
54586021 | 62513 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 494 | 4 | 0 | 5 | 4.1 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](N2CCC3COCCC32)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1782375 | 62513 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 494 | 4 | 0 | 5 | 4.1 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](N2CCC3COCCC32)C1 | 10.1016/j.bmcl.2011.01.034 | ||
44570779 | 183544 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 550 | 9 | 4 | 5 | 4.0 | CSc1ccc(C(=O)NC2CCC(NC(C)C)CC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
CHEMBL480036 | 183544 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 550 | 9 | 4 | 5 | 4.0 | CSc1ccc(C(=O)NC2CCC(NC(C)C)CC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
57344299 | 68927 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 552 | 7 | 3 | 3 | 5.6 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)CC1 | nan | ||
CHEMBL1922818 | 68927 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 552 | 7 | 3 | 3 | 5.6 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)CC1 | nan | ||
11467577 | 77613 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 606 | 8 | 2 | 5 | 5.9 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)[C@H](CS(=O)(=O)c2ccc(C(C)(C)C)cc2)C1 | 10.1016/j.bmcl.2012.08.002 | ||
CHEMBL2088382 | 77613 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 606 | 8 | 2 | 5 | 5.9 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)[C@H](CS(=O)(=O)c2ccc(C(C)(C)C)cc2)C1 | 10.1016/j.bmcl.2012.08.002 | ||
44453536 | 97901 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 435 | 7 | 2 | 4 | 2.8 | COc1ccccc1CN1CC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL272542 | 97901 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 435 | 7 | 2 | 4 | 2.8 | COc1ccccc1CN1CC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
22310899 | 22660 | 35 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 285 | 3 | 1 | 2 | 4.0 | O=C(O)c1cc2ccccc2n1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2003.10.049 | ||
CHEMBL132725 | 22660 | 35 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 285 | 3 | 1 | 2 | 4.0 | O=C(O)c1cc2ccccc2n1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2003.10.049 | ||
89823629 | 126295 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 521 | 5 | 1 | 5 | 4.1 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C)cc(C(F)(F)F)c2)C1 | nan | ||
CHEMBL3650369 | 126295 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 521 | 5 | 1 | 5 | 4.1 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C)cc(C(F)(F)F)c2)C1 | nan | ||
60148505 | 111083 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 469 | 4 | 1 | 6 | 2.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
CHEMBL3263268 | 111083 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 469 | 4 | 1 | 6 | 2.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
56643545 | 130597 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(N[C@H]1CC[C@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | nan | ||
CHEMBL3681870 | 130597 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(N[C@H]1CC[C@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | nan | ||
86767126 | 129383 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 545 | 5 | 1 | 6 | 4.1 | COC1COCCC1NC1CC2OC(c3ccccc3)CC2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | nan | ||
CHEMBL3671259 | 129383 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 545 | 5 | 1 | 6 | 4.1 | COC1COCCC1NC1CC2OC(c3ccccc3)CC2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | nan | ||
44415880 | 169315 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 550 | 7 | 1 | 2 | 7.1 | C[C@H]1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CC2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | ||
CHEMBL441856 | 169315 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 550 | 7 | 1 | 2 | 7.1 | C[C@H]1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CC2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | ||
57396998 | 70985 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3cncnc3)CC2)C1 | 10.1021/ml200030q | ||
CHEMBL1951773 | 70985 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3cncnc3)CC2)C1 | 10.1021/ml200030q | ||
44425320 | 86106 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 713 | 9 | 2 | 6 | 7.9 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)c3cccnc3)n2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | ||
CHEMBL231149 | 86106 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 713 | 9 | 2 | 6 | 7.9 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)c3cccnc3)n2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | ||
44453366 | 158280 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 451 | 6 | 5 | 6 | 1.7 | Nc1cc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)ccc1O | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL408908 | 158280 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 451 | 6 | 5 | 6 | 1.7 | Nc1cc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)ccc1O | 10.1016/j.bmcl.2008.02.015 | ||
71768794 | 111076 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 545 | 5 | 1 | 6 | 4.1 | COC1COCCC1N[C@@H]1C[C@H]2OC(c3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
CHEMBL3263259 | 111076 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 545 | 5 | 1 | 6 | 4.1 | COC1COCCC1N[C@@H]1C[C@H]2OC(c3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
44425286 | 153223 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 670 | 9 | 2 | 6 | 8.2 | CC(C)(C)OC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
CHEMBL397750 | 153223 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 670 | 9 | 2 | 6 | 8.2 | CC(C)(C)OC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
44593564 | 187208 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 498 | 6 | 2 | 3 | 5.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2008.12.050 | ||
CHEMBL492564 | 187208 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 498 | 6 | 2 | 3 | 5.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2008.12.050 | ||
44425258 | 168883 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 627 | 9 | 2 | 6 | 6.1 | CC(=O)Nc1nc(C(CCN2CCN(c3ccccc3C)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
CHEMBL438514 | 168883 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 627 | 9 | 2 | 6 | 6.1 | CC(=O)Nc1nc(C(CCN2CCN(c3ccccc3C)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
53322299 | 58644 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 459 | 6 | 1 | 4 | 3.1 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CCC(F)(F)F)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.052 | ||
CHEMBL1684696 | 58644 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 459 | 6 | 1 | 4 | 3.1 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CCC(F)(F)F)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.052 | ||
53326226 | 58656 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 463 | 6 | 1 | 4 | 3.3 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CC2CCCC2)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2011.01.052 | ||
CHEMBL1684709 | 58656 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 463 | 6 | 1 | 4 | 3.3 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CC2CCCC2)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2011.01.052 | ||
56675301 | 65726 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 439 | 7 | 3 | 5 | 3.1 | CCO[C@H]1CC[C@@H](N2CC(NC(=O)CNc3n[nH]c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834647 | 65726 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 439 | 7 | 3 | 5 | 3.1 | CCO[C@H]1CC[C@@H](N2CC(NC(=O)CNc3n[nH]c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
44444110 | 154817 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 486 | 7 | 1 | 3 | 6.2 | COc1ccc(C2CCN(CC3CCC(NC(=O)/C=C/c4ccc(Cl)c(Cl)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | ||
CHEMBL400483 | 154817 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 486 | 7 | 1 | 3 | 6.2 | COc1ccc(C2CCN(CC3CCC(NC(=O)/C=C/c4ccc(Cl)c(Cl)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | ||
11844469 | 78373 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 566 | 9 | 1 | 2 | 8.3 | C[C@H]1CN(CC[C@H](CNCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CC[C@@H]1c1ccccc1 | 10.1021/jm060439n | ||
CHEMBL211092 | 78373 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 566 | 9 | 1 | 2 | 8.3 | C[C@H]1CN(CC[C@H](CNCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CC[C@@H]1c1ccccc1 | 10.1021/jm060439n | ||
89823497 | 126276 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 509 | 5 | 1 | 7 | 2.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)cnn2)C1 | nan | ||
CHEMBL3650350 | 126276 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 509 | 5 | 1 | 7 | 2.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)cnn2)C1 | nan | ||
56676473 | 65778 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 489 | 6 | 2 | 7 | 3.3 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4nccn4C)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834850 | 65778 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 489 | 6 | 2 | 7 | 3.3 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4nccn4C)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
44444106 | 94044 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 490 | 5 | 0 | 2 | 6.5 | O=C(/C=C/c1cccc(C(F)(F)F)c1)N1CCC(CN2CCC(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.07.065 | ||
CHEMBL249010 | 94044 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 490 | 5 | 0 | 2 | 6.5 | O=C(/C=C/c1cccc(C(F)(F)F)c1)N1CCC(CN2CCC(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.07.065 | ||
44395144 | 66963 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 399 | 7 | 2 | 3 | 3.2 | Cc1cccc(C(=O)NCC(=O)NCC2CCCN2Cc2ccc(Cl)cc2)c1 | 10.1016/j.bmcl.2004.08.009 | ||
CHEMBL186878 | 66963 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 399 | 7 | 2 | 3 | 3.2 | Cc1cccc(C(=O)NCC(=O)NCC2CCCN2Cc2ccc(Cl)cc2)c1 | 10.1016/j.bmcl.2004.08.009 | ||
44593563 | 193086 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 508 | 7 | 2 | 3 | 5.9 | CCC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | ||
CHEMBL522688 | 193086 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 508 | 7 | 2 | 3 | 5.9 | CCC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | ||
46884856 | 8312 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 566 | 8 | 2 | 4 | 3.8 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3cc(F)ccc3F)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL1092921 | 8312 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 566 | 8 | 2 | 4 | 3.8 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3cc(F)ccc3F)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
89823512 | 126328 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 589 | 5 | 0 | 5 | 5.2 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 | nan | ||
CHEMBL3650400 | 126328 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 589 | 5 | 0 | 5 | 5.2 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 | nan | ||
10414966 | 155094 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 542 | 6 | 1 | 4 | 6.2 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3ncccn3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
CHEMBL402010 | 155094 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 542 | 6 | 1 | 4 | 6.2 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3ncccn3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
89823482 | 126279 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 522 | 5 | 1 | 6 | 3.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2[C@H]3CC[C@@H]2CN(c2cc(C(F)(F)F)ccn2)C3)C1 | nan | ||
CHEMBL3650353 | 126279 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 522 | 5 | 1 | 6 | 3.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2[C@H]3CC[C@@H]2CN(c2cc(C(F)(F)F)ccn2)C3)C1 | nan | ||
70696469 | 75185 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 372 | 5 | 1 | 4 | 2.7 | COc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C4CC4)C3)CC2)cc1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036765 | 75185 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 372 | 5 | 1 | 4 | 2.7 | COc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C4CC4)C3)CC2)cc1 | 10.1016/j.bmcl.2012.04.118 | ||
44425649 | 86100 | 0 | None | - | 0 | Mouse | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 554 | 6 | 1 | 2 | 7.5 | C[C@H]1CN(C2CCC(CC3CCC3)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
CHEMBL231142 | 86100 | 0 | None | - | 0 | Mouse | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 554 | 6 | 1 | 2 | 7.5 | C[C@H]1CN(C2CCC(CC3CCC3)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
89823499 | 126282 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 522 | 5 | 1 | 6 | 3.5 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)cc(C)n2)C1 | nan | ||
CHEMBL3650356 | 126282 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 522 | 5 | 1 | 6 | 3.5 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)cc(C)n2)C1 | nan | ||
44413230 | 139072 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 447 | 8 | 2 | 3 | 4.2 | CN(C)CCNC(C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | ||
CHEMBL378658 | 139072 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 447 | 8 | 2 | 3 | 4.2 | CN(C)CCNC(C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | ||
89823444 | 126300 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 523 | 6 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(OC(F)(F)F)c2)C1 | nan | ||
CHEMBL3650374 | 126300 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 523 | 6 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(OC(F)(F)F)c2)C1 | nan | ||
44353334 | 117417 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 319 | 3 | 1 | 2 | 4.7 | O=C(O)c1cc2cc(Cl)ccc2n1Cc1ccccc1Cl | 10.1016/j.bmcl.2003.10.049 | ||
CHEMBL339842 | 117417 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 319 | 3 | 1 | 2 | 4.7 | O=C(O)c1cc2cc(Cl)ccc2n1Cc1ccccc1Cl | 10.1016/j.bmcl.2003.10.049 | ||
57343917 | 130604 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 526 | 7 | 3 | 4 | 4.5 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc3c(c2)CCO3)CC1 | nan | ||
CHEMBL3681877 | 130604 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 526 | 7 | 3 | 4 | 4.5 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc3c(c2)CCO3)CC1 | nan | ||
54769305 | 86551 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 483 | 6 | 2 | 5 | 4.6 | O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | ||
CHEMBL2315920 | 86551 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 483 | 6 | 2 | 5 | 4.6 | O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | ||
68003962 | 86552 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 499 | 6 | 3 | 6 | 3.7 | O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@](O)(c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | ||
CHEMBL2315921 | 86552 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 499 | 6 | 3 | 6 | 3.7 | O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@](O)(c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | ||
49764446 | 65410 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 518 | 7 | 3 | 5 | 3.1 | CN(C)c1cccc([C@]2(O)CC[C@@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)c1 | 10.1016/j.bmcl.2011.06.080 | ||
CHEMBL1829631 | 65410 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 518 | 7 | 3 | 5 | 3.1 | CN(C)c1cccc([C@]2(O)CC[C@@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)c1 | 10.1016/j.bmcl.2011.06.080 | ||
54755560 | 65749 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 495 | 8 | 2 | 7 | 3.4 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(CC)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834721 | 65749 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 495 | 8 | 2 | 7 | 3.4 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(CC)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
44415922 | 141658 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 536 | 7 | 1 | 2 | 6.8 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC2(C=Cc3ccccc32)CC1)C1CC1 | 10.1016/j.bmcl.2006.07.011 | ||
CHEMBL385540 | 141658 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 536 | 7 | 1 | 2 | 6.8 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC2(C=Cc3ccccc32)CC1)C1CC1 | 10.1016/j.bmcl.2006.07.011 | ||
24794624 | 179592 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 492 | 6 | 3 | 6 | 3.1 | CC(=O)N[C@@H]1C[C@H](NC(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | 10.1021/acsmedchemlett.1c00082 | ||
CHEMBL4742683 | 179592 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 492 | 6 | 3 | 6 | 3.1 | CC(=O)N[C@@H]1C[C@H](NC(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | 10.1021/acsmedchemlett.1c00082 | ||
162657824 | 181102 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 482 | 5 | 3 | 4 | 2.9 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cccc(C(F)(F)F)c2)C1=O | 10.1021/acsmedchemlett.1c00082 | ||
CHEMBL4760566 | 181102 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 482 | 5 | 3 | 4 | 2.9 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cccc(C(F)(F)F)c2)C1=O | 10.1021/acsmedchemlett.1c00082 | ||
53326701 | 58435 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 497 | 6 | 1 | 5 | 3.9 | CO[C@H]1COCC[C@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
CHEMBL1683068 | 58435 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 497 | 6 | 1 | 5 | 3.9 | CO[C@H]1COCC[C@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
44425633 | 86012 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 578 | 5 | 1 | 2 | 7.8 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
CHEMBL230721 | 86012 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 578 | 5 | 1 | 2 | 7.8 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
44425648 | 168680 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 540 | 6 | 1 | 2 | 7.1 | C[C@H]1CN(C2CCC(CC3CC3)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
CHEMBL436796 | 168680 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 540 | 6 | 1 | 2 | 7.1 | C[C@H]1CN(C2CCC(CC3CC3)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
44442590 | 93743 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 606 | 11 | 6 | 5 | 3.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL247455 | 93743 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 606 | 11 | 6 | 5 | 3.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
11553489 | 121195 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 417 | 11 | 4 | 4 | 2.3 | CCC[C@H](O)[C@H](CNCC(C)C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | ||
CHEMBL3577929 | 121195 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 417 | 11 | 4 | 4 | 2.3 | CCC[C@H](O)[C@H](CNCC(C)C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | ||
11497533 | 89160 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 539 | 6 | 2 | 3 | 5.8 | O=C(O)C(C1CCN(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
CHEMBL236722 | 89160 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 539 | 6 | 2 | 3 | 5.8 | O=C(O)C(C1CCN(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
11541149 | 146286 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 541 | 6 | 3 | 4 | 4.9 | O=C(O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccc(O)cc23)CC1 | 10.1021/jm070902b | ||
CHEMBL392097 | 146286 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 541 | 6 | 3 | 4 | 4.9 | O=C(O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccc(O)cc23)CC1 | 10.1021/jm070902b | ||
53323664 | 58661 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 463 | 5 | 1 | 4 | 3.3 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CCCCC2)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2011.01.052 | ||
CHEMBL1684714 | 58661 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 463 | 5 | 1 | 4 | 3.3 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CCCCC2)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2011.01.052 | ||
54583187 | 62544 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 484 | 5 | 2 | 6 | 2.7 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](N[C@H]2CCOC[C@H]2O)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1782580 | 62544 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 484 | 5 | 2 | 6 | 2.7 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](N[C@H]2CCOC[C@H]2O)C1 | 10.1016/j.bmcl.2011.01.034 | ||
44425639 | 86036 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 580 | 6 | 1 | 3 | 6.8 | COCC1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
CHEMBL230831 | 86036 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 580 | 6 | 1 | 3 | 6.8 | COCC1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
54580190 | 62541 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 512 | 7 | 1 | 6 | 3.7 | CCO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1782577 | 62541 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 512 | 7 | 1 | 6 | 3.7 | CCO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
54582215 | 62530 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cncc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1782566 | 62530 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cncc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
54581190 | 62532 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cncc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1782568 | 62532 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cncc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
162658125 | 181072 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
CHEMBL4760108 | 181072 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
57344216 | 130605 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 541 | 6 | 4 | 3 | 5.6 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 | nan | ||
CHEMBL3681878 | 130605 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 541 | 6 | 4 | 3 | 5.6 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 | nan | ||
71517241 | 86350 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 485 | 4 | 1 | 5 | 3.3 | COC1COCCC1N[C@@H]1C[C@H]2C[C@@H](F)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
CHEMBL2313771 | 86350 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 485 | 4 | 1 | 5 | 3.3 | COC1COCCC1N[C@@H]1C[C@H]2C[C@@H](F)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
127025460 | 137304 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 437 | 4 | 1 | 3 | 5.1 | C[C@H]1CC=C(C(=O)NS(=O)(=O)c2ccccc2)[C@](C)(c2ccc(Cl)c(Cl)c2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
CHEMBL3752690 | 137304 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 437 | 4 | 1 | 3 | 5.1 | C[C@H]1CC=C(C(=O)NS(=O)(=O)c2ccccc2)[C@](C)(c2ccc(Cl)c(Cl)c2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
10165716 | 93525 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 538 | 10 | 4 | 5 | 3.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(SC(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL246417 | 93525 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 538 | 10 | 4 | 5 | 3.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(SC(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
44442559 | 93702 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 532 | 10 | 4 | 4 | 3.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC2CCCCC2)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL247208 | 93702 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 532 | 10 | 4 | 4 | 3.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC2CCCCC2)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
44442547 | 154868 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 506 | 11 | 3 | 4 | 3.2 | CCNC(=O)[C@H](CCN(C)Cc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL400793 | 154868 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 506 | 11 | 3 | 4 | 3.2 | CCNC(=O)[C@H](CCN(C)Cc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | ||
9873546 | 78008 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 566 | 8 | 1 | 2 | 7.5 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC(c2ccccc2)CC1)c1ccc(F)cc1 | 10.1021/jm060439n | ||
CHEMBL209899 | 78008 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 566 | 8 | 1 | 2 | 7.5 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC(c2ccccc2)CC1)c1ccc(F)cc1 | 10.1021/jm060439n | ||
22310976 | 117021 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 353 | 3 | 1 | 2 | 5.3 | O=C(O)c1cc2c(Cl)cccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
CHEMBL339099 | 117021 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 353 | 3 | 1 | 2 | 5.3 | O=C(O)c1cc2c(Cl)cccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
71519050 | 86363 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 444 | 5 | 1 | 7 | 2.2 | COC1COCCC1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
CHEMBL2313785 | 86363 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 444 | 5 | 1 | 7 | 2.2 | COC1COCCC1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
44395048 | 66131 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 495 | 8 | 3 | 6 | 2.9 | NS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccccc3)c3cccc(O)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
CHEMBL184256 | 66131 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 495 | 8 | 3 | 6 | 2.9 | NS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccccc3)c3cccc(O)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
44395062 | 66668 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 512 | 8 | 2 | 6 | 3.8 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccc(F)cc3)c3cccc(O)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
CHEMBL185517 | 66668 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 512 | 8 | 2 | 6 | 3.8 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccc(F)cc3)c3cccc(O)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
44395028 | 66925 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 528 | 8 | 2 | 6 | 4.3 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccc(Cl)cc3)c3cccc(O)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
CHEMBL186689 | 66925 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 528 | 8 | 2 | 6 | 4.3 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccc(Cl)cc3)c3cccc(O)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
44395061 | 66370 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 510 | 8 | 3 | 7 | 3.3 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3cccc(O)c3)c3cccc(O)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
CHEMBL185180 | 66370 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 510 | 8 | 3 | 7 | 3.3 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3cccc(O)c3)c3cccc(O)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
9825735 | 93735 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 465 | 9 | 3 | 5 | 2.5 | COC(=O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL247405 | 93735 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 465 | 9 | 3 | 5 | 2.5 | COC(=O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | ||
44444032 | 94079 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 474 | 10 | 1 | 3 | 6.2 | COc1ccc(C2CCN(CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | ||
CHEMBL249183 | 94079 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 474 | 10 | 1 | 3 | 6.2 | COc1ccc(C2CCN(CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | ||
11844467 | 77882 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 566 | 9 | 1 | 2 | 8.4 | CC(C[C@H](CNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1)N1CCC(c2ccccc2)CC1 | 10.1021/jm060439n | ||
CHEMBL209423 | 77882 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 566 | 9 | 1 | 2 | 8.4 | CC(C[C@H](CNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1)N1CCC(c2ccccc2)CC1 | 10.1021/jm060439n | ||
44442540 | 93457 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 465 | 9 | 3 | 5 | 2.5 | COC(=O)[C@@H](CNC(=O)CNC(=O)c1cccc(C(F)(F)F)c1)NCc1ccc(C)cc1C | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL246218 | 93457 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 465 | 9 | 3 | 5 | 2.5 | COC(=O)[C@@H](CNC(=O)CNC(=O)c1cccc(C(F)(F)F)c1)NCc1ccc(C)cc1C | 10.1016/j.bmcl.2007.07.028 | ||
46886537 | 8316 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 511 | 8 | 1 | 5 | 3.4 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3ccccc3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2010.03.035 | ||
CHEMBL1092940 | 8316 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 511 | 8 | 1 | 5 | 3.4 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3ccccc3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2010.03.035 | ||
76321527 | 105227 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 551 | 5 | 1 | 8 | 3.1 | COC1COCCC1N[C@@H]1C[C@H]2CN(c3nccs3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
CHEMBL3115269 | 105227 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 551 | 5 | 1 | 8 | 3.1 | COC1COCCC1N[C@@H]1C[C@H]2CN(c3nccs3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
89823389 | 126314 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 575 | 5 | 1 | 5 | 4.9 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 | nan | ||
CHEMBL3650388 | 126314 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 575 | 5 | 1 | 5 | 4.9 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 | nan | ||
71518407 | 86373 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 435 | 3 | 1 | 3 | 4.9 | O=C(N1CCc2ncc(C(F)(F)F)cc2C1)[C@@]12CCC[C@@H]1C[C@@H](NC1CCCCC1)C2 | 10.1016/j.bmcl.2012.10.069 | ||
CHEMBL2314057 | 86373 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 435 | 3 | 1 | 3 | 4.9 | O=C(N1CCc2ncc(C(F)(F)F)cc2C1)[C@@]12CCC[C@@H]1C[C@@H](NC1CCCCC1)C2 | 10.1016/j.bmcl.2012.10.069 | ||
10129107 | 188405 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 585 | 9 | 3 | 6 | 3.4 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](NC(C)=O)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL502248 | 188405 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 585 | 9 | 3 | 6 | 3.4 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](NC(C)=O)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
44453534 | 97853 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 451 | 7 | 3 | 5 | 2.5 | COc1cc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)ccc1O | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL272331 | 97853 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 451 | 7 | 3 | 5 | 2.5 | COc1cc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)ccc1O | 10.1016/j.bmcl.2008.02.015 | ||
89823621 | 126293 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 3.2 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(C(F)(F)F)n2)C1 | nan | ||
CHEMBL3650367 | 126293 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 3.2 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(C(F)(F)F)n2)C1 | nan | ||
22143349 | 184053 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 508 | 7 | 4 | 5 | 3.6 | CSc1ccc(C(=O)NC2CCCCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
CHEMBL482387 | 184053 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 508 | 7 | 4 | 5 | 3.6 | CSc1ccc(C(=O)NC2CCCCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
44573411 | 193241 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 464 | 6 | 2 | 2 | 6.1 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCCC2)C1 | 10.1007/s00044-010-9501-4 | ||
CHEMBL523857 | 193241 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 464 | 6 | 2 | 2 | 6.1 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCCC2)C1 | 10.1007/s00044-010-9501-4 | ||
44453620 | 95507 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 450 | 7 | 2 | 5 | 2.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL257511 | 95507 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 450 | 7 | 2 | 5 | 2.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
44573411 | 193241 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 464 | 6 | 2 | 2 | 6.1 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCCC2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
CHEMBL523857 | 193241 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 464 | 6 | 2 | 2 | 6.1 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCCC2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
70681271 | 73779 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 550 | 13 | 5 | 5 | 3.8 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(C(=O)NCC)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018533 | 73779 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 550 | 13 | 5 | 5 | 3.8 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(C(=O)NCC)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
69286635 | 121205 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 469 | 9 | 2 | 3 | 4.9 | CC(C)CC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | ||
CHEMBL3577939 | 121205 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 469 | 9 | 2 | 3 | 4.9 | CC(C)CC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | ||
162658125 | 181072 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
CHEMBL4760108 | 181072 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
72663455 | 129375 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 469 | 4 | 1 | 6 | 2.3 | COC1COCCC1NC1CC2OCCC2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | nan | ||
CHEMBL3671251 | 129375 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 469 | 4 | 1 | 6 | 2.3 | COC1COCCC1NC1CC2OCCC2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | nan | ||
86767122 | 129379 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 509 | 5 | 1 | 6 | 3.1 | COC1COCCC1NC1CC2OC(C3CC3)CC2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | nan | ||
CHEMBL3671255 | 129379 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 509 | 5 | 1 | 6 | 3.1 | COC1COCCC1NC1CC2OC(C3CC3)CC2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | nan | ||
71519226 | 86347 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 482 | 5 | 1 | 5 | 3.8 | COC1COCCC1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ccc(OC(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
CHEMBL2313768 | 86347 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 482 | 5 | 1 | 5 | 3.8 | COC1COCCC1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ccc(OC(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
11647276 | 75178 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 412 | 4 | 1 | 3 | 4.3 | CC(C)N1CCC[C@@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036758 | 75178 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 412 | 4 | 1 | 3 | 4.3 | CC(C)N1CCC[C@@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
46240584 | 83551 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 532 | 6 | 3 | 6 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3nc4ccccc4s3)CC2)C1 | 10.1021/ml300260s | ||
CHEMBL2204262 | 83551 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 532 | 6 | 3 | 6 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3nc4ccccc4s3)CC2)C1 | 10.1021/ml300260s | ||
56671795 | 65769 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 478 | 6 | 3 | 6 | 4.0 | O=C(CNc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3cncs3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834792 | 65769 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 478 | 6 | 3 | 6 | 4.0 | O=C(CNc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3cncs3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
54754967 | 77801 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 518 | 7 | 4 | 7 | 3.0 | COc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNc4n[nH]c5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL2092884 | 77801 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 518 | 7 | 4 | 7 | 3.0 | COc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNc4n[nH]c5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2011.08.074 | ||
22143241 | 183226 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 510 | 8 | 3 | 4 | 3.8 | CN(C)C1CCC(NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(NCc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.12.062 | ||
CHEMBL479642 | 183226 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 510 | 8 | 3 | 4 | 3.8 | CN(C)C1CCC(NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(NCc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.12.062 | ||
44425634 | 141993 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 578 | 6 | 1 | 2 | 8.0 | CCC[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
CHEMBL387587 | 141993 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 578 | 6 | 1 | 2 | 8.0 | CCC[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
44425277 | 85930 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 674 | 10 | 2 | 5 | 8.1 | O=C(Nc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1)c1ccccc1 | 10.1016/j.bmcl.2006.10.059 | ||
CHEMBL230165 | 85930 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 674 | 10 | 2 | 5 | 8.1 | O=C(Nc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1)c1ccccc1 | 10.1016/j.bmcl.2006.10.059 | ||
44442592 | 153659 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 535 | 10 | 5 | 5 | 3.3 | CNc1cc(C(=O)NCC(=O)N[C@@H](CNCc2ccc(C)cc2C)C(=O)NC(C)(C)C)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL398134 | 153659 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 535 | 10 | 5 | 5 | 3.3 | CNc1cc(C(=O)NCC(=O)N[C@@H](CNCc2ccc(C)cc2C)C(=O)NC(C)(C)C)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | ||
71768688 | 111072 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 469 | 4 | 1 | 6 | 2.3 | COC1COCCC1N[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
CHEMBL3263255 | 111072 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 469 | 4 | 1 | 6 | 2.3 | COC1COCCC1N[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
71768725 | 111075 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 509 | 5 | 1 | 6 | 3.1 | COC1COCCC1N[C@@H]1C[C@H]2OC(C3CC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
CHEMBL3263258 | 111075 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 509 | 5 | 1 | 6 | 3.1 | COC1COCCC1N[C@@H]1C[C@H]2OC(C3CC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
44571257 | 191070 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 518 | 9 | 3 | 4 | 4.3 | CC(C)c1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
CHEMBL518772 | 191070 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 518 | 9 | 3 | 4 | 4.3 | CC(C)c1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
71745103 | 126336 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 492 | 4 | 1 | 5 | 3.9 | C[C@@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | ||
CHEMBL3650408 | 126336 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 492 | 4 | 1 | 5 | 3.9 | C[C@@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | ||
11512375 | 154645 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 555 | 7 | 2 | 4 | 5.2 | COc1ccc2[nH]cc(C3CCN(C(C(=O)O)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c2c1 | 10.1021/jm070902b | ||
CHEMBL399617 | 154645 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 555 | 7 | 2 | 4 | 5.2 | COc1ccc2[nH]cc(C3CCN(C(C(=O)O)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c2c1 | 10.1021/jm070902b | ||
10227655 | 73684 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 480 | 9 | 5 | 5 | 2.7 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C(C)(C)O)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018377 | 73684 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 480 | 9 | 5 | 5 | 2.7 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C(C)(C)O)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | ||
44415958 | 80470 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 578 | 7 | 1 | 2 | 8.0 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(C=Cc3ccccc32)CC1)C1CCCCC1 | 10.1016/j.bmcl.2006.07.011 | ||
CHEMBL214747 | 80470 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 578 | 7 | 1 | 2 | 8.0 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(C=Cc3ccccc32)CC1)C1CCCCC1 | 10.1016/j.bmcl.2006.07.011 | ||
44442575 | 93515 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 570 | 9 | 4 | 4 | 3.7 | Cc1cc(Br)ccc1CNC[C@H](NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1)C(=O)NC(C)(C)C | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL246405 | 93515 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 570 | 9 | 4 | 4 | 3.7 | Cc1cc(Br)ccc1CNC[C@H](NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1)C(=O)NC(C)(C)C | 10.1016/j.bmcl.2007.07.028 | ||
25010616 | 94122 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 486 | 7 | 1 | 3 | 6.2 | COc1ccc(C2CCN(C[C@@H]3CC[C@H](NC(=O)/C=C/c4cc(Cl)cc(Cl)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | ||
CHEMBL249413 | 94122 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 486 | 7 | 1 | 3 | 6.2 | COc1ccc(C2CCN(C[C@@H]3CC[C@H](NC(=O)/C=C/c4cc(Cl)cc(Cl)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | ||
25007996 | 94124 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 454 | 7 | 1 | 3 | 5.2 | COc1ccc(C2CCN(C[C@@H]3CC[C@H](NC(=O)/C=C/c4cc(F)cc(F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | ||
CHEMBL249415 | 94124 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 454 | 7 | 1 | 3 | 5.2 | COc1ccc(C2CCN(C[C@@H]3CC[C@H](NC(=O)/C=C/c4cc(F)cc(F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | ||
11844209 | 81054 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 572 | 8 | 1 | 3 | 7.6 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC(c2ccsc2)CC1)c1ccc(F)cc1 | 10.1021/jm060439n | ||
CHEMBL215515 | 81054 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 572 | 8 | 1 | 3 | 7.6 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC(c2ccsc2)CC1)c1ccc(F)cc1 | 10.1021/jm060439n | ||
127028590 | 137405 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 284 | 2 | 1 | 1 | 4.2 | C[C@@]1(c2cccc(C(F)(F)F)c2)CCCC=C1C(=O)O | 10.1016/j.bmcl.2015.11.051 | ||
CHEMBL3753478 | 137405 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 284 | 2 | 1 | 1 | 4.2 | C[C@@]1(c2cccc(C(F)(F)F)c2)CCCC=C1C(=O)O | 10.1016/j.bmcl.2015.11.051 | ||
89823481 | 126281 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 582 | 5 | 1 | 5 | 5.4 | O=C(O)c1cccc(C2CCN([C@@H]3C[C@H]4CCC[C@@]4(C(=O)N4C[C@@H]5C[C@H]4CN5c4cc(C(F)(F)F)ccn4)C3)CC2)c1 | nan | ||
CHEMBL3650355 | 126281 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 582 | 5 | 1 | 5 | 5.4 | O=C(O)c1cccc(C2CCN([C@@H]3C[C@H]4CCC[C@@]4(C(=O)N4C[C@@H]5C[C@H]4CN5c4cc(C(F)(F)F)ccn4)C3)CC2)c1 | nan | ||
89823459 | 126308 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 532 | 5 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(C#N)cc2C(F)(F)F)C1 | nan | ||
CHEMBL3650382 | 126308 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 532 | 5 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(C#N)cc2C(F)(F)F)C1 | nan | ||
89823431 | 126309 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 522 | 5 | 1 | 6 | 3.5 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccc(C(F)(F)F)c2C)C1 | nan | ||
CHEMBL3650383 | 126309 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 522 | 5 | 1 | 6 | 3.5 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccc(C(F)(F)F)c2C)C1 | nan | ||
89823495 | 126315 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 498 | 5 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(Cl)c2C#N)C1 | nan | ||
CHEMBL3650389 | 126315 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 498 | 5 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(Cl)c2C#N)C1 | nan | ||
44395256 | 65439 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 492 | 8 | 1 | 5 | 4.2 | Cc1cccc(C(O)(CCN2CCCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)c2ccccc2)c1 | 10.1016/j.bmcl.2004.08.008 | ||
CHEMBL183001 | 65439 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 492 | 8 | 1 | 5 | 4.2 | Cc1cccc(C(O)(CCN2CCCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)c2ccccc2)c1 | 10.1016/j.bmcl.2004.08.008 | ||
44593554 | 188664 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 642 | 10 | 4 | 6 | 4.9 | CSc1ccc(C(=O)NC2CCC(NC(=O)OCc3ccccc3)CC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
CHEMBL504065 | 188664 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 642 | 10 | 4 | 6 | 4.9 | CSc1ccc(C(=O)NC2CCC(NC(=O)OCc3ccccc3)CC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
90656019 | 111081 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 546 | 5 | 1 | 7 | 1.6 | COC1COCCC1N[C@@H]1C[C@H]2N(S(C)(=O)=O)CC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
CHEMBL3263266 | 111081 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 546 | 5 | 1 | 7 | 1.6 | COC1COCCC1N[C@@H]1C[C@H]2N(S(C)(=O)=O)CC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
22310943 | 24482 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 364 | 4 | 1 | 4 | 4.6 | O=C(O)c1cc2ccc([N+](=O)[O-])cc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
CHEMBL134230 | 24482 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 364 | 4 | 1 | 4 | 4.6 | O=C(O)c1cc2ccc([N+](=O)[O-])cc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
10348168 | 95432 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 576 | 6 | 1 | 4 | 6.9 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3ccc(Cl)nn3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
CHEMBL257159 | 95432 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 576 | 6 | 1 | 4 | 6.9 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3ccc(Cl)nn3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
44425317 | 168834 | 0 | None | - | 0 | Mouse | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 726 | 10 | 2 | 5 | 8.5 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)Cc3ccccc3)n2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | ||
CHEMBL438128 | 168834 | 0 | None | - | 0 | Mouse | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 726 | 10 | 2 | 5 | 8.5 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)Cc3ccccc3)n2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | ||
44453330 | 95473 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 483 | 6 | 2 | 3 | 3.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Br)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL257316 | 95473 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 483 | 6 | 2 | 3 | 3.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Br)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
22143225 | 183541 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 523 | 7 | 5 | 6 | 2.5 | CSc1ccc(C(=O)NC2CCC(N)CC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
CHEMBL480035 | 183541 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 523 | 7 | 5 | 6 | 2.5 | CSc1ccc(C(=O)NC2CCC(N)CC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
11620726 | 90611 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 530 | 13 | 1 | 4 | 7.3 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cccc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
CHEMBL238937 | 90611 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 530 | 13 | 1 | 4 | 7.3 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cccc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
11620726 | 90611 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 530 | 13 | 1 | 4 | 7.3 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cccc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
CHEMBL238937 | 90611 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 530 | 13 | 1 | 4 | 7.3 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cccc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
127025448 | 137416 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 248 | 2 | 1 | 1 | 3.5 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2ccc(F)cc2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
CHEMBL3753563 | 137416 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 248 | 2 | 1 | 1 | 3.5 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2ccc(F)cc2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
54768835 | 86564 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 499 | 6 | 3 | 7 | 3.6 | Nc1cccnc1[C@H]1CC[C@@H](N2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2012.12.017 | ||
CHEMBL2315933 | 86564 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 499 | 6 | 3 | 7 | 3.6 | Nc1cccnc1[C@H]1CC[C@@H](N2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2012.12.017 | ||
11192346 | 2011 | 57 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
9032 | 2011 | 57 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
CHEMBL2029422 | 2011 | 57 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
57656657 | 75180 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 444 | 4 | 1 | 3 | 4.4 | O=C(Nc1ccc(C(F)(F)F)c(Cl)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036760 | 75180 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 444 | 4 | 1 | 3 | 4.4 | O=C(Nc1ccc(C(F)(F)F)c(Cl)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
57656641 | 75193 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 414 | 4 | 1 | 4 | 3.3 | CC(C)N1CCO[C@@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036775 | 75193 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 414 | 4 | 1 | 4 | 3.3 | CC(C)N1CCO[C@@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
53322810 | 58442 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3nccc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
CHEMBL1683075 | 58442 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3nccc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
53326721 | 58463 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 554 | 6 | 2 | 7 | 2.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(O)C(F)(F)F)C1 | 10.1016/j.bmcl.2011.01.015 | ||
CHEMBL1683189 | 58463 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 554 | 6 | 2 | 7 | 2.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(O)C(F)(F)F)C1 | 10.1016/j.bmcl.2011.01.015 | ||
10162844 | 73685 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 480 | 10 | 5 | 5 | 2.7 | CC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1N | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018378 | 73685 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 480 | 10 | 5 | 5 | 2.7 | CC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1N | 10.1016/j.bmcl.2012.03.007 | ||
52944966 | 19008 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 579 | 9 | 2 | 4 | 5.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1OCc1ccccc1 | 10.1016/j.bmcl.2010.10.020 | ||
CHEMBL1288324 | 19008 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 579 | 9 | 2 | 4 | 5.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1OCc1ccccc1 | 10.1016/j.bmcl.2010.10.020 | ||
44425316 | 142334 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 712 | 9 | 2 | 5 | 8.5 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)c3ccccc3)n2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | ||
CHEMBL388869 | 142334 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 712 | 9 | 2 | 5 | 8.5 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)c3ccccc3)n2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | ||
53320350 | 58645 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 463 | 6 | 1 | 5 | 2.8 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CC(C)(C)C)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.052 | ||
CHEMBL1684697 | 58645 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 463 | 6 | 1 | 5 | 2.8 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CC(C)(C)C)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.052 | ||
44425646 | 86071 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 528 | 6 | 1 | 2 | 7.1 | CCCC1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
CHEMBL231038 | 86071 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 528 | 6 | 1 | 2 | 7.1 | CCCC1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
44425653 | 86200 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 546 | 6 | 1 | 3 | 6.7 | CSC[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
CHEMBL231246 | 86200 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 546 | 6 | 1 | 3 | 6.7 | CSC[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
44353447 | 3746 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1016/j.bmcl.2007.07.028 | ||
785 | 3746 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL337246 | 3746 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1016/j.bmcl.2007.07.028 | ||
53326645 | 58655 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 477 | 6 | 1 | 4 | 3.1 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CCC(F)(F)F)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2011.01.052 | ||
CHEMBL1684708 | 58655 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 477 | 6 | 1 | 4 | 3.1 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CCC(F)(F)F)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2011.01.052 | ||
53324944 | 58657 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 457 | 5 | 1 | 4 | 3.0 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2ccccc2)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2011.01.052 | ||
CHEMBL1684710 | 58657 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 457 | 5 | 1 | 4 | 3.0 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2ccccc2)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2011.01.052 | ||
44425631 | 142050 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 564 | 5 | 1 | 2 | 7.6 | CCC1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
CHEMBL388007 | 142050 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 564 | 5 | 1 | 2 | 7.6 | CCC1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
89823661 | 126318 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 541 | 5 | 1 | 5 | 4.5 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(Cl)c(C(F)(F)F)c2)C1 | nan | ||
CHEMBL3650391 | 126318 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 541 | 5 | 1 | 5 | 4.5 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(Cl)c(C(F)(F)F)c2)C1 | nan | ||
54583185 | 62534 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ncn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1782570 | 62534 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ncn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
89823581 | 126335 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 492 | 4 | 1 | 5 | 3.9 | C[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | ||
CHEMBL3650407 | 126335 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 492 | 4 | 1 | 5 | 3.9 | C[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | ||
72663455 | 129375 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 469 | 4 | 1 | 6 | 2.3 | COC1COCCC1NC1CC2OCCC2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | nan | ||
CHEMBL3671251 | 129375 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 469 | 4 | 1 | 6 | 2.3 | COC1COCCC1NC1CC2OCCC2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | nan | ||
71518574 | 86362 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 467 | 4 | 1 | 5 | 3.3 | COC1COCCC1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
CHEMBL2313784 | 86362 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 467 | 4 | 1 | 5 | 3.3 | COC1COCCC1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
11632418 | 75168 | 1 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 384 | 3 | 1 | 3 | 3.5 | CN1CCCC(CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036748 | 75168 | 1 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 384 | 3 | 1 | 3 | 3.5 | CN1CCCC(CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
46241720 | 83531 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 501 | 6 | 3 | 6 | 2.3 | N#Cc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml300260s | ||
CHEMBL2204242 | 83531 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 501 | 6 | 3 | 6 | 2.3 | N#Cc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml300260s | ||
135981707 | 65760 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 556 | 8 | 2 | 6 | 4.3 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNC3=NC(Cc4ccccc4)c4ccc(C(F)(F)F)cc43)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834783 | 65760 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 556 | 8 | 2 | 6 | 4.3 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNC3=NC(Cc4ccccc4)c4ccc(C(F)(F)F)cc43)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
44441359 | 93652 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 407 | 5 | 1 | 3 | 4.2 | Cc1ccc2c(c1)OCC(C(=O)Nc1ccc(C[N+](C)(C)C3CCOCC3)cc1)=C2 | 10.1016/j.bmcl.2007.01.115 | ||
CHEMBL246933 | 93652 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 407 | 5 | 1 | 3 | 4.2 | Cc1ccc2c(c1)OCC(C(=O)Nc1ccc(C[N+](C)(C)C3CCOCC3)cc1)=C2 | 10.1016/j.bmcl.2007.01.115 | ||
10206776 | 154900 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 492 | 10 | 4 | 4 | 2.9 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL401009 | 154900 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 492 | 10 | 4 | 4 | 2.9 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
22310896 | 117425 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 387 | 3 | 1 | 2 | 5.7 | O=C(O)c1cc2cc(C(F)(F)F)ccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
CHEMBL339851 | 117425 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 387 | 3 | 1 | 2 | 5.7 | O=C(O)c1cc2cc(C(F)(F)F)ccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
12093170 | 869 | 31 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 351 | 3 | 1 | 3 | 4.2 | Clc1ccc(c(c1)F)N1[C@H](C2CCCCC2)C(=C(C1=O)O)C(=O)C | 10.1021/acs.jmedchem.7b01844 | ||
9431 | 869 | 31 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 351 | 3 | 1 | 3 | 4.2 | Clc1ccc(c(c1)F)N1[C@H](C2CCCCC2)C(=C(C1=O)O)C(=O)C | 10.1021/acs.jmedchem.7b01844 | ||
CHEMBL4519152 | 869 | 31 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 351 | 3 | 1 | 3 | 4.2 | Clc1ccc(c(c1)F)N1[C@H](C2CCCCC2)C(=C(C1=O)O)C(=O)C | 10.1021/acs.jmedchem.7b01844 | ||
69315675 | 73782 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 621 | 14 | 5 | 5 | 5.1 | CCC[C@H](O)[C@H](CN(Cc1ccc(C)cc1C)C(C)C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018537 | 73782 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 621 | 14 | 5 | 5 | 5.1 | CCC[C@H](O)[C@H](CN(Cc1ccc(C)cc1C)C(C)C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C | 10.1016/j.bmcl.2012.03.007 | ||
44442570 | 93707 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 556 | 9 | 4 | 4 | 3.4 | CC(C)(C)NC(=O)[C@H](CNCc1ccc(Br)cc1)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL247214 | 93707 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 556 | 9 | 4 | 4 | 3.4 | CC(C)(C)NC(=O)[C@H](CNCc1ccc(Br)cc1)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | ||
261407 | 116538 | 59 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 251 | 3 | 1 | 2 | 3.4 | O=C(O)c1cc2ccccc2n1Cc1ccccc1 | 10.1016/j.bmcl.2003.10.049 | ||
CHEMBL336399 | 116538 | 59 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 251 | 3 | 1 | 2 | 3.4 | O=C(O)c1cc2ccccc2n1Cc1ccccc1 | 10.1016/j.bmcl.2003.10.049 | ||
44395104 | 66669 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 476 | 9 | 3 | 5 | 3.7 | Cc1csc(C(=O)NNC(=O)CN2CCC(NCCC(c3ccccc3)c3ccccc3)C2)c1 | 10.1016/j.bmcl.2004.08.009 | ||
CHEMBL185518 | 66669 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 476 | 9 | 3 | 5 | 3.7 | Cc1csc(C(=O)NNC(=O)CN2CCC(NCCC(c3ccccc3)c3ccccc3)C2)c1 | 10.1016/j.bmcl.2004.08.009 | ||
18426157 | 123875 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 399 | 6 | 2 | 3 | 3.2 | Cc1cccc(C(=O)NCC(=O)NC2CCCN(Cc3ccc(Cl)cc3)C2)c1 | 10.1016/j.bmcl.2004.08.009 | ||
CHEMBL362780 | 123875 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 399 | 6 | 2 | 3 | 3.2 | Cc1cccc(C(=O)NCC(=O)NC2CCCN(Cc3ccc(Cl)cc3)C2)c1 | 10.1016/j.bmcl.2004.08.009 | ||
57656887 | 75183 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 376 | 4 | 1 | 3 | 3.4 | O=C(Nc1cccc(Cl)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036763 | 75183 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 376 | 4 | 1 | 3 | 3.4 | O=C(Nc1cccc(Cl)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
10239671 | 187887 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 543 | 8 | 3 | 6 | 3.9 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL496632 | 187887 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 543 | 8 | 3 | 6 | 3.9 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
44416274 | 158530 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 510 | 6 | 1 | 2 | 6.4 | C[C@H]1CN(CCCC(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | ||
CHEMBL409162 | 158530 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 510 | 6 | 1 | 2 | 6.4 | C[C@H]1CN(CCCC(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | ||
46842085 | 8205 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 572 | 10 | 2 | 4 | 4.5 | CCCc1ccc(C(=O)N2CCC(CCN3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL1092294 | 8205 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 572 | 10 | 2 | 4 | 4.5 | CCCc1ccc(C(=O)N2CCC(CCN3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2010.02.072 | ||
44573450 | 187499 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 492 | 6 | 2 | 2 | 6.8 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCCCCC2)C1 | 10.1007/s00044-010-9501-4 | ||
CHEMBL494399 | 187499 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 492 | 6 | 2 | 2 | 6.8 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCCCCC2)C1 | 10.1007/s00044-010-9501-4 | ||
46842381 | 8204 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 558 | 9 | 2 | 4 | 4.1 | CCc1ccc(C(=O)N2CCC(CCN3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL1092293 | 8204 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 558 | 9 | 2 | 4 | 4.1 | CCc1ccc(C(=O)N2CCC(CCN3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2010.02.072 | ||
53324139 | 58429 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 481 | 5 | 1 | 4 | 4.6 | CC(C)[C@]1(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC[C@@H](N[C@@H]2CCOC[C@H]2C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
CHEMBL1683062 | 58429 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 481 | 5 | 1 | 4 | 4.6 | CC(C)[C@]1(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC[C@@H](N[C@@H]2CCOC[C@H]2C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
10346048 | 78205 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 505 | 8 | 2 | 3 | 5.3 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccc(F)cc1 | 10.1016/j.bmcl.2006.04.045 | ||
CHEMBL210606 | 78205 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 505 | 8 | 2 | 3 | 5.3 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccc(F)cc1 | 10.1016/j.bmcl.2006.04.045 | ||
44573450 | 187499 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 492 | 6 | 2 | 2 | 6.8 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCCCCC2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
CHEMBL494399 | 187499 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 492 | 6 | 2 | 2 | 6.8 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCCCCC2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
57344217 | 130606 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 564 | 7 | 3 | 5 | 4.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc3c(c2)OC(F)(F)O3)CC1 | nan | ||
CHEMBL3681879 | 130606 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 564 | 7 | 3 | 5 | 4.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc3c(c2)OC(F)(F)O3)CC1 | nan | ||
72946775 | 105208 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 597 | 7 | 2 | 8 | 1.7 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCCNC(C)=O)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
CHEMBL3115109 | 105208 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 597 | 7 | 2 | 8 | 1.7 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCCNC(C)=O)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
46241717 | 83538 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 520 | 8 | 3 | 6 | 2.9 | CCOc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml300260s | ||
CHEMBL2204249 | 83538 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 520 | 8 | 3 | 6 | 2.9 | CCOc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml300260s | ||
46240484 | 83550 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 496 | 6 | 3 | 6 | 2.8 | Cc1cnc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)s1 | 10.1021/ml300260s | ||
CHEMBL2204261 | 83550 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 496 | 6 | 3 | 6 | 2.8 | Cc1cnc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)s1 | 10.1021/ml300260s | ||
56662695 | 65775 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 520 | 7 | 2 | 7 | 4.6 | CCc1ncc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)s1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834798 | 65775 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 520 | 7 | 2 | 7 | 4.6 | CCc1ncc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)s1 | 10.1016/j.bmcl.2011.08.074 | ||
11669935 | 58424 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 467 | 5 | 1 | 4 | 4.3 | CC(C)[C@]1(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.015 | ||
CHEMBL1683055 | 58424 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 467 | 5 | 1 | 4 | 4.3 | CC(C)[C@]1(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.015 | ||
44425276 | 151302 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 654 | 9 | 2 | 5 | 7.8 | CC(C)(C)C(=O)Nc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
CHEMBL396101 | 151302 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 654 | 9 | 2 | 5 | 7.8 | CC(C)(C)C(=O)Nc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
70689909 | 74507 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 496 | 6 | 3 | 6 | 2.9 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3nccs3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
CHEMBL2029414 | 74507 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 496 | 6 | 3 | 6 | 2.9 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3nccs3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
57402219 | 70979 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 503 | 6 | 3 | 4 | 3.8 | Cc1ccc([C@]2(O)CC[C@H](N3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1021/ml200030q | ||
CHEMBL1951766 | 70979 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 503 | 6 | 3 | 4 | 3.8 | Cc1ccc([C@]2(O)CC[C@H](N3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1021/ml200030q | ||
53321503 | 58462 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 516 | 8 | 1 | 6 | 3.4 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](CCCF)(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 | 10.1016/j.bmcl.2011.01.015 | ||
CHEMBL1683188 | 58462 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 516 | 8 | 1 | 6 | 3.4 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](CCCF)(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 | 10.1016/j.bmcl.2011.01.015 | ||
54585107 | 62531 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3ccnc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1782567 | 62531 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3ccnc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
72946205 | 105215 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 2.6 | COC1COCCC1N[C@@H]1C[C@H]2CN(C3CC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
CHEMBL3115116 | 105215 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 2.6 | COC1COCCC1N[C@@H]1C[C@H]2CN(C3CC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
44453327 | 95066 | 25 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 439 | 6 | 2 | 3 | 3.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2004.08.009 | ||
CHEMBL255408 | 95066 | 25 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 439 | 6 | 2 | 3 | 3.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2004.08.009 | ||
70691783 | 73672 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 493 | 12 | 4 | 4 | 3.9 | CCCC[C@@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018364 | 73672 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 493 | 12 | 4 | 4 | 3.9 | CCCC[C@@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
57402124 | 70494 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 511 | 8 | 3 | 5 | 2.8 | CN[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
CHEMBL1947041 | 70494 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 511 | 8 | 3 | 5 | 2.8 | CN[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
10346048 | 78205 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 505 | 8 | 2 | 3 | 5.3 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccc(F)cc1 | 10.1016/j.bmcl.2006.07.011 | ||
CHEMBL210606 | 78205 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 505 | 8 | 2 | 3 | 5.3 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccc(F)cc1 | 10.1016/j.bmcl.2006.07.011 | ||
44441356 | 96675 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 471 | 5 | 1 | 3 | 4.6 | C[N+](C)(Cc1ccc(NC(=O)C2=Cc3ccc(Br)cc3OC2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
CHEMBL264108 | 96675 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 471 | 5 | 1 | 3 | 4.6 | C[N+](C)(Cc1ccc(NC(=O)C2=Cc3ccc(Br)cc3OC2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
44453327 | 95066 | 25 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 439 | 6 | 2 | 3 | 3.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL255408 | 95066 | 25 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 439 | 6 | 2 | 3 | 3.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
44444111 | 94088 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 486 | 7 | 1 | 3 | 6.2 | COc1ccc(C2CCN(CC3CCC(NC(=O)/C=C/c4cc(Cl)cc(Cl)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | ||
CHEMBL249209 | 94088 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 486 | 7 | 1 | 3 | 6.2 | COc1ccc(C2CCN(CC3CCC(NC(=O)/C=C/c4cc(Cl)cc(Cl)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | ||
90656022 | 111091 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 510 | 5 | 1 | 7 | 2.2 | COC1COCCC1N[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CC3CC2CN3c2cccc(C(F)(F)F)n2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
CHEMBL3263276 | 111091 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 510 | 5 | 1 | 7 | 2.2 | COC1COCCC1N[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CC3CC2CN3c2cccc(C(F)(F)F)n2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
10346048 | 78205 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 505 | 8 | 2 | 3 | 5.3 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccc(F)cc1 | 10.1021/jm060439n | ||
CHEMBL210606 | 78205 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 505 | 8 | 2 | 3 | 5.3 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccc(F)cc1 | 10.1021/jm060439n | ||
11670910 | 88593 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 524 | 6 | 2 | 3 | 4.6 | NC(=O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
CHEMBL235657 | 88593 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 524 | 6 | 2 | 3 | 4.6 | NC(=O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
71519225 | 86346 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 423 | 4 | 1 | 5 | 2.8 | COC1COCCC1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ccc(C#N)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
CHEMBL2313767 | 86346 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 423 | 4 | 1 | 5 | 2.8 | COC1COCCC1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ccc(C#N)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
49763568 | 65386 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 503 | 6 | 2 | 5 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
CHEMBL1829606 | 65386 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 503 | 6 | 2 | 5 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
44444007 | 93970 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 428 | 9 | 1 | 2 | 5.7 | O=C(/C=C/c1ccc(F)cc1)NCCCCCN1CCC(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.07.065 | ||
CHEMBL248641 | 93970 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 428 | 9 | 1 | 2 | 5.7 | O=C(/C=C/c1ccc(F)cc1)NCCCCCN1CCC(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.07.065 | ||
11670910 | 88593 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 524 | 6 | 2 | 3 | 4.6 | NC(=O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
CHEMBL235657 | 88593 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 524 | 6 | 2 | 3 | 4.6 | NC(=O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
122181146 | 121808 | 0 | None | - | 0 | Mouse | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 544 | 7 | 1 | 4 | 5.7 | COc1ccc2c(c1)CCOC21CCN(CCCC(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 | 10.1016/j.bmc.2015.02.019 | ||
CHEMBL3589841 | 121808 | 0 | None | - | 0 | Mouse | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 544 | 7 | 1 | 4 | 5.7 | COc1ccc2c(c1)CCOC21CCN(CCCC(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 | 10.1016/j.bmc.2015.02.019 | ||
44439159 | 91952 | 1 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 522 | 11 | 1 | 4 | 6.8 | CN(C)CCCCNC(=O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
CHEMBL241501 | 91952 | 1 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 522 | 11 | 1 | 4 | 6.8 | CN(C)CCCCNC(=O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
49863200 | 15178 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 508 | 10 | 1 | 4 | 6.4 | CN(C)CCCCNC(=O)CCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
CHEMBL1210668 | 15178 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 508 | 10 | 1 | 4 | 6.4 | CN(C)CCCCNC(=O)CCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
25268803 | 151854 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 383 | 6 | 1 | 2 | 4.2 | C[N+](C)(Cc1ccc(NC(=O)/C=C/c2cccc(F)c2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
CHEMBL396571 | 151854 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 383 | 6 | 1 | 2 | 4.2 | C[N+](C)(Cc1ccc(NC(=O)/C=C/c2cccc(F)c2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
CHEMBL11359 | 9748 | 0 | None | -2 | 4 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | None | None | None | None | nan | ||||
89823461 | 126291 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 491 | 5 | 1 | 5 | 3.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(F)c(Cl)c2)C1 | nan | ||
CHEMBL3650365 | 126291 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 491 | 5 | 1 | 5 | 3.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(F)c(Cl)c2)C1 | nan | ||
44425247 | 166271 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 585 | 8 | 2 | 6 | 5.7 | Cc1ccccc1N1CCN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(N)n2)CC1 | 10.1016/j.bmcl.2006.10.059 | ||
CHEMBL427110 | 166271 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 585 | 8 | 2 | 6 | 5.7 | Cc1ccccc1N1CCN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(N)n2)CC1 | 10.1016/j.bmcl.2006.10.059 | ||
52943756 | 19258 | 0 | None | - | 0 | Mouse | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 489 | 6 | 3 | 4 | 3.3 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1O | 10.1016/j.bmcl.2010.10.020 | ||
CHEMBL1290412 | 19258 | 0 | None | - | 0 | Mouse | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 489 | 6 | 3 | 4 | 3.3 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1O | 10.1016/j.bmcl.2010.10.020 | ||
44425320 | 86106 | 0 | None | - | 0 | Mouse | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 713 | 9 | 2 | 6 | 7.9 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)c3cccnc3)n2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | ||
CHEMBL231149 | 86106 | 0 | None | - | 0 | Mouse | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 713 | 9 | 2 | 6 | 7.9 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)c3cccnc3)n2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | ||
56643545 | 130597 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(N[C@H]1CC[C@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | nan | ||
CHEMBL3681870 | 130597 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(N[C@H]1CC[C@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | nan | ||
44573537 | 193209 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 512 | 6 | 2 | 2 | 6.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2Cc3ccccc3C2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
CHEMBL523696 | 193209 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 512 | 6 | 2 | 2 | 6.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2Cc3ccccc3C2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
44573538 | 193242 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 526 | 6 | 2 | 2 | 6.7 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCc3ccccc3C2)C1 | 10.1007/s00044-010-9501-4 | ||
CHEMBL523861 | 193242 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 526 | 6 | 2 | 2 | 6.7 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCc3ccccc3C2)C1 | 10.1007/s00044-010-9501-4 | ||
57392725 | 67837 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 467 | 9 | 2 | 3 | 5.6 | O=C(NCCCCN1CCC(Cc2ccc(F)cc2)CC1)Nc1ccc(OC(F)(F)F)cc1 | 10.1016/j.bmcl.2011.09.013 | ||
CHEMBL1910162 | 67837 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 467 | 9 | 2 | 3 | 5.6 | O=C(NCCCCN1CCC(Cc2ccc(F)cc2)CC1)Nc1ccc(OC(F)(F)F)cc1 | 10.1016/j.bmcl.2011.09.013 | ||
46885213 | 8428 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 549 | 8 | 2 | 5 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3ccccc3F)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL1093802 | 8428 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 549 | 8 | 2 | 5 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3ccccc3F)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
68004011 | 86558 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 530 | 7 | 3 | 8 | 3.1 | COc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNc4ncnc5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2012.12.017 | ||
CHEMBL2315927 | 86558 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 530 | 7 | 3 | 8 | 3.1 | COc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNc4ncnc5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2012.12.017 | ||
54769752 | 86578 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 506 | 6 | 3 | 8 | 3.1 | O=C(CNc1nncc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@](O)(c3cncs3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | ||
CHEMBL2316210 | 86578 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 506 | 6 | 3 | 8 | 3.1 | O=C(CNc1nncc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@](O)(c3cncs3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | ||
57344296 | 68922 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 502 | 7 | 3 | 3 | 4.7 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc(F)cc2)CC1 | nan | ||
CHEMBL1922813 | 68922 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 502 | 7 | 3 | 3 | 4.7 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc(F)cc2)CC1 | nan | ||
10278257 | 73680 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 493 | 11 | 4 | 4 | 3.7 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@@H](O)CC(C)C)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018373 | 73680 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 493 | 11 | 4 | 4 | 3.7 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@@H](O)CC(C)C)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | ||
10207590 | 73681 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 507 | 10 | 4 | 4 | 4.1 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@@H](O)CC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018374 | 73681 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 507 | 10 | 4 | 4 | 4.1 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@@H](O)CC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | ||
71452241 | 83539 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 574 | 8 | 3 | 6 | 3.4 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3ccc(OCC(F)(F)F)nc3)CC2)C1 | 10.1021/ml300260s | ||
CHEMBL2204250 | 83539 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 574 | 8 | 3 | 6 | 3.4 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3ccc(OCC(F)(F)F)nc3)CC2)C1 | 10.1021/ml300260s | ||
56657929 | 65762 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 485 | 6 | 2 | 5 | 4.5 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4ccccc4)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834785 | 65762 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 485 | 6 | 2 | 5 | 4.5 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4ccccc4)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
56659197 | 65774 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 506 | 6 | 2 | 7 | 4.3 | Cc1ncc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)s1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834797 | 65774 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 506 | 6 | 2 | 7 | 4.3 | Cc1ncc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)s1 | 10.1016/j.bmcl.2011.08.074 | ||
44425637 | 85958 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 604 | 6 | 1 | 2 | 8.4 | C[C@H]1CN([C@@H]2CC[C@](CC3CCC3)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
CHEMBL230405 | 85958 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 604 | 6 | 1 | 2 | 8.4 | C[C@H]1CN([C@@H]2CC[C@](CC3CCC3)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
44425317 | 168834 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 726 | 10 | 2 | 5 | 8.5 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)Cc3ccccc3)n2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | ||
CHEMBL438128 | 168834 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 726 | 10 | 2 | 5 | 8.5 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)Cc3ccccc3)n2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | ||
508869 | 95411 | 1 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 446 | 7 | 3 | 4 | 3.1 | C=Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL257066 | 95411 | 1 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 446 | 7 | 3 | 4 | 3.1 | C=Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
44442587 | 93780 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 611 | 12 | 5 | 5 | 4.9 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NCc2ccccc2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL247608 | 93780 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 611 | 12 | 5 | 5 | 4.9 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NCc2ccccc2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
44442593 | 147175 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 549 | 11 | 5 | 5 | 3.7 | CCNc1cc(C(=O)NCC(=O)N[C@@H](CNCc2ccc(C)cc2C)C(=O)NC(C)(C)C)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL392814 | 147175 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 549 | 11 | 5 | 5 | 3.7 | CCNc1cc(C(=O)NCC(=O)N[C@@H](CNCc2ccc(C)cc2C)C(=O)NC(C)(C)C)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | ||
10278257 | 73680 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 493 | 11 | 4 | 4 | 3.7 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@@H](O)CC(C)C)c(C)c1 | 10.1021/ml500505q | ||
CHEMBL2018373 | 73680 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 493 | 11 | 4 | 4 | 3.7 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@@H](O)CC(C)C)c(C)c1 | 10.1021/ml500505q | ||
53322812 | 58448 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 500 | 7 | 1 | 7 | 2.3 | COC[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](N[C@H]2CCOC[C@H]2OC)C1 | 10.1016/j.bmcl.2011.01.015 | ||
CHEMBL1683081 | 58448 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 500 | 7 | 1 | 7 | 2.3 | COC[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](N[C@H]2CCOC[C@H]2OC)C1 | 10.1016/j.bmcl.2011.01.015 | ||
54585109 | 62543 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 468 | 5 | 1 | 5 | 3.7 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1782579 | 62543 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 468 | 5 | 1 | 5 | 3.7 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.034 | ||
89823606 | 126299 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 532 | 5 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccc2C#N)C1 | nan | ||
CHEMBL3650373 | 126299 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 532 | 5 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccc2C#N)C1 | nan | ||
72946982 | 105202 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 602 | 6 | 1 | 7 | 3.8 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCc3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
CHEMBL3115103 | 105202 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 602 | 6 | 1 | 7 | 3.8 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCc3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
57344218 | 68919 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 484 | 7 | 3 | 3 | 4.6 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 | nan | ||
CHEMBL1922806 | 68919 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 484 | 7 | 3 | 3 | 4.6 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 | nan | ||
46241719 | 83558 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 494 | 6 | 3 | 5 | 2.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3ccc(F)nc3)CC2)C1 | 10.1021/ml300260s | ||
CHEMBL2204270 | 83558 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 494 | 6 | 3 | 5 | 2.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3ccc(F)nc3)CC2)C1 | 10.1021/ml300260s | ||
46241829 | 65384 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 476 | 6 | 3 | 5 | 2.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@](O)(c3cccnc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
CHEMBL1829603 | 65384 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 476 | 6 | 3 | 5 | 2.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@](O)(c3cccnc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
10165042 | 93524 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 522 | 10 | 4 | 5 | 3.1 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(OC(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL246416 | 93524 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 522 | 10 | 4 | 5 | 3.1 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(OC(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
44442556 | 93698 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 522 | 11 | 5 | 5 | 2.2 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)CO)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL247204 | 93698 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 522 | 11 | 5 | 5 | 2.2 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)CO)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
90656026 | 111094 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 527 | 7 | 1 | 7 | 2.4 | COC1COCCC1N(CCCO)[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
CHEMBL3263281 | 111094 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 527 | 7 | 1 | 7 | 2.4 | COC1COCCC1N(CCCO)[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
44444001 | 94483 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 450 | 8 | 1 | 2 | 5.5 | O=C(/C=C/c1cc(F)c(F)c(F)c1)NCCCCN1CCC(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.07.065 | ||
CHEMBL251621 | 94483 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 450 | 8 | 1 | 2 | 5.5 | O=C(/C=C/c1cc(F)c(F)c(F)c1)NCCCCN1CCC(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.07.065 | ||
23441058 | 66241 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 429 | 8 | 0 | 4 | 5.3 | O=[N+]([O-])c1ccc(CN2CCCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
CHEMBL184688 | 66241 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 429 | 8 | 0 | 4 | 5.3 | O=[N+]([O-])c1ccc(CN2CCCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
44395160 | 123782 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 398 | 9 | 1 | 3 | 4.5 | O=C(CCCC(=O)c1ccccc1)NCC1CCCN1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2004.08.009 | ||
CHEMBL362340 | 123782 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 398 | 9 | 1 | 3 | 4.5 | O=C(CCCC(=O)c1ccccc1)NCC1CCCN1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2004.08.009 | ||
44415973 | 81026 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 536 | 8 | 1 | 2 | 7.0 | C=CC[C@H](CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | ||
CHEMBL215394 | 81026 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 536 | 8 | 1 | 2 | 7.0 | C=CC[C@H](CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | ||
44425654 | 86201 | 0 | None | - | 0 | Mouse | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 532 | 5 | 1 | 3 | 6.4 | CS[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
CHEMBL231247 | 86201 | 0 | None | - | 0 | Mouse | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 532 | 5 | 1 | 3 | 6.4 | CS[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
44573409 | 187370 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 450 | 6 | 2 | 2 | 5.7 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCC2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
CHEMBL493575 | 187370 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 450 | 6 | 2 | 2 | 5.7 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCC2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
44573409 | 187370 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 450 | 6 | 2 | 2 | 5.7 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCC2)C1 | 10.1007/s00044-010-9501-4 | ||
CHEMBL493575 | 187370 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 450 | 6 | 2 | 2 | 5.7 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCC2)C1 | 10.1007/s00044-010-9501-4 | ||
89823470 | 126283 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 509 | 5 | 1 | 7 | 2.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccc(C(F)(F)F)n2)C1 | nan | ||
CHEMBL3650357 | 126283 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 509 | 5 | 1 | 7 | 2.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccc(C(F)(F)F)n2)C1 | nan | ||
10153373 | 172572 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 627 | 13 | 2 | 6 | 5.4 | CCCN(CCC)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccc(SC)cc2)C1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL448989 | 172572 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 627 | 13 | 2 | 6 | 5.4 | CCCN(CCC)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccc(SC)cc2)C1 | 10.1016/j.bmcl.2009.05.041 | ||
86767120 | 129377 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 468 | 4 | 1 | 5 | 2.9 | COC1COCCC1NC1CC2OCCC2(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)C1 | nan | ||
CHEMBL3671253 | 129377 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 468 | 4 | 1 | 5 | 2.9 | COC1COCCC1NC1CC2OCCC2(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)C1 | nan | ||
44448915 | 95043 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 568 | 7 | 3 | 4 | 5.0 | CC(=O)Nc1ccc2[nH]cc(C3CCN(C(CO)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c2c1 | 10.1016/j.bmcl.2008.05.010 | ||
CHEMBL255302 | 95043 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 568 | 7 | 3 | 4 | 5.0 | CC(=O)Nc1ccc2[nH]cc(C3CCN(C(CO)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c2c1 | 10.1016/j.bmcl.2008.05.010 | ||
44449054 | 155167 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 553 | 6 | 2 | 3 | 5.6 | O=C(/C=C/c1ccc(F)c(Br)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
CHEMBL402442 | 155167 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 553 | 6 | 2 | 3 | 5.6 | O=C(/C=C/c1ccc(F)c(Br)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
162666730 | 182250 | 1 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
CHEMBL4783861 | 182250 | 1 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
71768722 | 111085 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 468 | 4 | 1 | 5 | 2.9 | COC1COCCC1N[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
CHEMBL3263270 | 111085 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 468 | 4 | 1 | 5 | 2.9 | COC1COCCC1N[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
10239991 | 188423 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 585 | 10 | 3 | 6 | 4.3 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](NC(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL502516 | 188423 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 585 | 10 | 3 | 6 | 4.3 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](NC(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
10120907 | 73695 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 577 | 12 | 5 | 5 | 3.7 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)N1CCC1 | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018388 | 73695 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 577 | 12 | 5 | 5 | 3.7 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)N1CCC1 | 10.1016/j.bmcl.2012.03.007 | ||
10007642 | 19077 | 0 | None | - | 0 | Mouse | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 547 | 8 | 3 | 5 | 3.8 | CCO[C@H]1CN([C@H]2CC[C@@](O)(c3ccc(C)cc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
CHEMBL1289203 | 19077 | 0 | None | - | 0 | Mouse | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 547 | 8 | 3 | 5 | 3.8 | CCO[C@H]1CN([C@H]2CC[C@@](O)(c3ccc(C)cc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
89844945 | 109782 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 518 | 7 | 1 | 6 | 2.4 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)n3)C2=O)[C@H](CS(C)(=O)=O)C1 | 10.1016/j.bmcl.2014.02.013 | ||
CHEMBL3233179 | 109782 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 518 | 7 | 1 | 6 | 2.4 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)n3)C2=O)[C@H](CS(C)(=O)=O)C1 | 10.1016/j.bmcl.2014.02.013 | ||
68767078 | 121210 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 457 | 7 | 1 | 5 | 5.0 | CCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(Cl)cc23)C1=O | 10.1021/ml500505q | ||
CHEMBL3577944 | 121210 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 457 | 7 | 1 | 5 | 5.0 | CCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(Cl)cc23)C1=O | 10.1021/ml500505q | ||
68768752 | 121212 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 463 | 5 | 1 | 5 | 4.6 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](Nc3ncnc4ccc(C(F)(F)F)cc34)C2=O)[C@H](C)C1 | 10.1021/ml500505q | ||
CHEMBL3577947 | 121212 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 463 | 5 | 1 | 5 | 4.6 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](Nc3ncnc4ccc(C(F)(F)F)cc34)C2=O)[C@H](C)C1 | 10.1021/ml500505q | ||
11756884 | 19057 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 533 | 8 | 3 | 5 | 3.5 | CCO[C@H]1CN([C@H]2CC[C@@](O)(c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
CHEMBL1289083 | 19057 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 533 | 8 | 3 | 5 | 3.5 | CCO[C@H]1CN([C@H]2CC[C@@](O)(c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
10007642 | 19077 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 547 | 8 | 3 | 5 | 3.8 | CCO[C@H]1CN([C@H]2CC[C@@](O)(c3ccc(C)cc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
CHEMBL1289203 | 19077 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 547 | 8 | 3 | 5 | 3.8 | CCO[C@H]1CN([C@H]2CC[C@@](O)(c3ccc(C)cc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
9986630 | 168775 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 641 | 9 | 2 | 5 | 6.9 | CN(C)C(=O)Nc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
CHEMBL437552 | 168775 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 641 | 9 | 2 | 5 | 6.9 | CN(C)C(=O)Nc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
11627639 | 94904 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 511 | 6 | 2 | 3 | 5.1 | O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC([C@@H](CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
CHEMBL254355 | 94904 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 511 | 6 | 2 | 3 | 5.1 | O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC([C@@H](CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
57396999 | 70989 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 504 | 6 | 3 | 5 | 3.2 | Cc1ccc([C@]2(O)CC[C@H](N3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml200030q | ||
CHEMBL1951777 | 70989 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 504 | 6 | 3 | 5 | 3.2 | Cc1ccc([C@]2(O)CC[C@H](N3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml200030q | ||
22143258 | 183855 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 522 | 9 | 3 | 5 | 3.9 | CSc1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
CHEMBL481010 | 183855 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 522 | 9 | 3 | 5 | 3.9 | CSc1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
44593555 | 188760 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 642 | 10 | 4 | 6 | 4.9 | CSc1ccc(C(=O)NC2CC(NC(=O)OCc3ccccc3)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
CHEMBL505722 | 188760 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 642 | 10 | 4 | 6 | 4.9 | CSc1ccc(C(=O)NC2CC(NC(=O)OCc3ccccc3)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
70691785 | 73698 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 606 | 12 | 6 | 6 | 2.9 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)N1CCNCC1 | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018391 | 73698 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 606 | 12 | 6 | 6 | 2.9 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)N1CCNCC1 | 10.1016/j.bmcl.2012.03.007 | ||
69285794 | 121203 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 455 | 9 | 2 | 3 | 4.6 | CCCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | ||
CHEMBL3577937 | 121203 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 455 | 9 | 2 | 3 | 4.6 | CCCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | ||
122178128 | 121206 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 503 | 9 | 2 | 3 | 5.1 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CCc2ccccc2)C1 | 10.1021/ml500505q | ||
CHEMBL3577940 | 121206 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 503 | 9 | 2 | 3 | 5.1 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CCc2ccccc2)C1 | 10.1021/ml500505q | ||
11555827 | 147092 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 555 | 7 | 2 | 4 | 5.2 | COc1cccc2c(C3CCN(C(C(=O)O)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c[nH]c12 | 10.1021/jm070902b | ||
CHEMBL392748 | 147092 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 555 | 7 | 2 | 4 | 5.2 | COc1cccc2c(C3CCN(C(C(=O)O)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c[nH]c12 | 10.1021/jm070902b | ||
42606792 | 109781 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 517 | 7 | 1 | 5 | 3.0 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(C)(=O)=O)C1 | 10.1016/j.bmcl.2014.02.013 | ||
CHEMBL3233178 | 109781 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 517 | 7 | 1 | 5 | 3.0 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(C)(=O)=O)C1 | 10.1016/j.bmcl.2014.02.013 | ||
57395218 | 70981 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 490 | 6 | 3 | 5 | 2.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3cccnc3)CC2)C1 | 10.1021/ml200030q | ||
CHEMBL1951769 | 70981 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 490 | 6 | 3 | 5 | 2.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3cccnc3)CC2)C1 | 10.1021/ml200030q | ||
44425279 | 141992 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 628 | 9 | 2 | 6 | 7.0 | COC(=O)Nc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
CHEMBL387583 | 141992 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 628 | 9 | 2 | 6 | 7.0 | COC(=O)Nc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
11527661 | 2008 | 30 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 520 | 7 | 3 | 6 | 2.9 | COc1ccc(cn1)C1(O)CCC(CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200030q | ||
9045 | 2008 | 30 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 520 | 7 | 3 | 6 | 2.9 | COc1ccc(cn1)C1(O)CCC(CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200030q | ||
CHEMBL1963131 | 2008 | 30 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 520 | 7 | 3 | 6 | 2.9 | COc1ccc(cn1)C1(O)CCC(CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200030q | ||
69285794 | 121203 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 455 | 9 | 2 | 3 | 4.6 | CCCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | ||
CHEMBL3577937 | 121203 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 455 | 9 | 2 | 3 | 4.6 | CCCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | ||
68767078 | 121210 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 457 | 7 | 1 | 5 | 5.0 | CCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(Cl)cc23)C1=O | 10.1021/ml500505q | ||
CHEMBL3577944 | 121210 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 457 | 7 | 1 | 5 | 5.0 | CCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(Cl)cc23)C1=O | 10.1021/ml500505q | ||
44583282 | 172671 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 656 | 9 | 3 | 7 | 4.2 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCOCC2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL450231 | 172671 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 656 | 9 | 3 | 7 | 4.2 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCOCC2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
11597 | 671 | 5 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 506 | 5 | 3 | 6 | 3.5 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)NC(C)(C)C | 10.1021/acsmedchemlett.1c00082 | ||
23725180 | 671 | 5 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 506 | 5 | 3 | 6 | 3.5 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)NC(C)(C)C | 10.1021/acsmedchemlett.1c00082 | ||
CHEMBL4781426 | 671 | 5 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 506 | 5 | 3 | 6 | 3.5 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)NC(C)(C)C | 10.1021/acsmedchemlett.1c00082 | ||
11421840 | 77609 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 578 | 9 | 2 | 5 | 5.2 | CCc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)cc1 | 10.1016/j.bmcl.2012.08.002 | ||
CHEMBL2088379 | 77609 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 578 | 9 | 2 | 5 | 5.2 | CCc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)cc1 | 10.1016/j.bmcl.2012.08.002 | ||
50992246 | 58441 | 2 | None | - | 0 | Mouse | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
CHEMBL1683074 | 58441 | 2 | None | - | 0 | Mouse | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
50992246 | 58441 | 2 | None | - | 0 | Rat | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
CHEMBL1683074 | 58441 | 2 | None | - | 0 | Rat | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
24794656 | 180852 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 450 | 4 | 3 | 6 | 2.0 | CC(=O)N[C@@H]1C[C@H](N)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | 10.1021/acsmedchemlett.1c00082 | ||
CHEMBL4757452 | 180852 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 450 | 4 | 3 | 6 | 2.0 | CC(=O)N[C@@H]1C[C@H](N)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | 10.1021/acsmedchemlett.1c00082 | ||
52941377 | 19297 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 531 | 9 | 2 | 4 | 4.8 | CCCO[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
CHEMBL1290637 | 19297 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 531 | 9 | 2 | 4 | 4.8 | CCCO[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
53326386 | 58143 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 465 | 5 | 1 | 6 | 2.8 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.052 | ||
CHEMBL1681819 | 58143 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 465 | 5 | 1 | 6 | 2.8 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.052 | ||
44573608 | 187527 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 522 | 8 | 2 | 3 | 6.3 | CCCC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1007/s00044-010-9501-4 | ||
CHEMBL494540 | 187527 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 522 | 8 | 2 | 3 | 6.3 | CCCC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1007/s00044-010-9501-4 | ||
54771978 | 86577 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 505 | 6 | 3 | 7 | 3.8 | O=C(CNc1nccc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@](O)(c3cncs3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | ||
CHEMBL2316209 | 86577 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 505 | 6 | 3 | 7 | 3.8 | O=C(CNc1nccc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@](O)(c3cncs3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | ||
44595711 | 137296 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 332 | 2 | 1 | 1 | 5.1 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2ccc(Cl)c(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
CHEMBL3752627 | 137296 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 332 | 2 | 1 | 1 | 5.1 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2ccc(Cl)c(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
24794624 | 179592 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 492 | 6 | 3 | 6 | 3.1 | CC(=O)N[C@@H]1C[C@H](NC(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | 10.1021/acsmedchemlett.1c00082 | ||
CHEMBL4742683 | 179592 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 492 | 6 | 3 | 6 | 3.1 | CC(=O)N[C@@H]1C[C@H](NC(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | 10.1021/acsmedchemlett.1c00082 | ||
57400160 | 130613 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 539 | 7 | 3 | 3 | 5.6 | O=C(O)C(N[C@H]1CC[C@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | ||
CHEMBL3681885 | 130613 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 539 | 7 | 3 | 3 | 5.6 | O=C(O)C(N[C@H]1CC[C@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | ||
86767125 | 129382 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 511 | 6 | 1 | 6 | 3.5 | CCCC1CC2(C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)CC(NC3CCOCC3OC)CC2O1 | nan | ||
CHEMBL3671258 | 129382 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 511 | 6 | 1 | 6 | 3.5 | CCCC1CC2(C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)CC(NC3CCOCC3OC)CC2O1 | nan | ||
44449030 | 95117 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 543 | 6 | 2 | 3 | 6.1 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccc(F)cc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
CHEMBL255680 | 95117 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 543 | 6 | 2 | 3 | 6.1 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccc(F)cc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
44449174 | 95427 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 553 | 7 | 1 | 4 | 5.6 | CC(=O)OCC(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
CHEMBL257143 | 95427 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 553 | 7 | 1 | 4 | 5.6 | CC(=O)OCC(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
44448948 | 155222 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 569 | 7 | 2 | 5 | 4.9 | COC(=O)c1ccc2[nH]cc(C3CCN(C(CO)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c2c1 | 10.1016/j.bmcl.2008.05.010 | ||
CHEMBL402749 | 155222 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 569 | 7 | 2 | 5 | 4.9 | COC(=O)c1ccc2[nH]cc(C3CCN(C(CO)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c2c1 | 10.1016/j.bmcl.2008.05.010 | ||
71517242 | 86351 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 501 | 4 | 1 | 5 | 3.5 | COC1COCCC1N[C@@H]1C[C@H]2C[C@H](Cl)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
CHEMBL2313772 | 86351 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 501 | 4 | 1 | 5 | 3.5 | COC1COCCC1N[C@@H]1C[C@H]2C[C@H](Cl)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
11226430 | 73710 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 536 | 14 | 5 | 5 | 4.9 | CCCNc1cc(NC(=O)CC(=O)N[C@@H](CNCc2ccc(C)cc2C)[C@@H](O)CCC)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018403 | 73710 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 536 | 14 | 5 | 5 | 4.9 | CCCNc1cc(NC(=O)CC(=O)N[C@@H](CNCc2ccc(C)cc2C)[C@@H](O)CCC)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
49764322 | 65411 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 505 | 7 | 3 | 5 | 3.1 | COc1ccc([C@]2(O)CC[C@@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2011.06.080 | ||
CHEMBL1829632 | 65411 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 505 | 7 | 3 | 5 | 3.1 | COc1ccc([C@]2(O)CC[C@@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2011.06.080 | ||
11502371 | 153104 | 3 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 407 | 5 | 1 | 2 | 5.0 | C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
CHEMBL397647 | 153104 | 3 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 407 | 5 | 1 | 2 | 5.0 | C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
44425636 | 85919 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 590 | 6 | 1 | 2 | 8.0 | C[C@H]1CN(C2CCC(CC3CC3)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
CHEMBL230078 | 85919 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 590 | 6 | 1 | 2 | 8.0 | C[C@H]1CN(C2CCC(CC3CC3)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
44425629 | 85997 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 536 | 4 | 1 | 2 | 6.8 | C[C@H]1CN([C@@H]2CC[C@H](C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
CHEMBL230616 | 85997 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 536 | 4 | 1 | 2 | 6.8 | C[C@H]1CN([C@@H]2CC[C@H](C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
44425241 | 85999 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 570 | 8 | 2 | 5 | 6.4 | Nc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
CHEMBL230624 | 85999 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 570 | 8 | 2 | 5 | 6.4 | Nc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
44453407 | 95408 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 450 | 7 | 3 | 5 | 2.4 | COc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL257063 | 95408 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 450 | 7 | 3 | 5 | 2.4 | COc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
44453442 | 97662 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 434 | 6 | 3 | 4 | 2.7 | Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL271290 | 97662 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 434 | 6 | 3 | 4 | 2.7 | Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
44442599 | 93620 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 585 | 9 | 5 | 5 | 3.3 | Cc1cc(Br)ccc1CNC[C@H](NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1N)C(=O)NC(C)(C)C | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL246804 | 93620 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 585 | 9 | 5 | 5 | 3.3 | Cc1cc(Br)ccc1CNC[C@H](NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1N)C(=O)NC(C)(C)C | 10.1016/j.bmcl.2007.07.028 | ||
69285465 | 121204 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 457 | 9 | 2 | 4 | 3.5 | COCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | ||
CHEMBL3577938 | 121204 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 457 | 9 | 2 | 4 | 3.5 | COCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | ||
11699541 | 146288 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 543 | 6 | 2 | 3 | 5.3 | O=C(O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3cc(F)ccc23)CC1 | 10.1021/jm070902b | ||
CHEMBL392098 | 146288 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 543 | 6 | 2 | 3 | 5.3 | O=C(O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3cc(F)ccc23)CC1 | 10.1021/jm070902b | ||
11605867 | 166742 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 507 | 6 | 2 | 3 | 5.0 | O=C(O)C(C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
CHEMBL428378 | 166742 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 507 | 6 | 2 | 3 | 5.0 | O=C(O)C(C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
54582217 | 62540 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 512 | 7 | 1 | 6 | 3.7 | CCO[C@H]1COCC[C@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1782576 | 62540 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 512 | 7 | 1 | 6 | 3.7 | CCO[C@H]1COCC[C@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
71517576 | 86340 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 497 | 5 | 1 | 6 | 3.0 | COC1COCCC1N[C@@H]1C[C@H]2C[C@@H](OC)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
CHEMBL2313761 | 86340 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 497 | 5 | 1 | 6 | 3.0 | COC1COCCC1N[C@@H]1C[C@H]2C[C@@H](OC)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
71518898 | 86361 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 477 | 4 | 1 | 5 | 3.1 | COC1COCCC1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc(Br)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
CHEMBL2313783 | 86361 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 477 | 4 | 1 | 5 | 3.1 | COC1COCCC1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc(Br)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
56675302 | 65727 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 451 | 8 | 3 | 5 | 3.3 | C=CCO[C@H]1CC[C@@H](N2CC(NC(=O)CNc3n[nH]c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834648 | 65727 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 451 | 8 | 3 | 5 | 3.3 | C=CCO[C@H]1CC[C@@H](N2CC(NC(=O)CNc3n[nH]c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
56669631 | 65779 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 489 | 6 | 2 | 7 | 3.3 | Cn1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)n1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834851 | 65779 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 489 | 6 | 2 | 7 | 3.3 | Cn1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)n1 | 10.1016/j.bmcl.2011.08.074 | ||
25268081 | 93490 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 423 | 5 | 1 | 2 | 5.7 | C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCSCC1 | 10.1016/j.bmcl.2007.01.115 | ||
CHEMBL246313 | 93490 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 423 | 5 | 1 | 2 | 5.7 | C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCSCC1 | 10.1016/j.bmcl.2007.01.115 | ||
9934977 | 166331 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 482 | 7 | 3 | 4 | 3.7 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)NCC1CCN(Cc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2006.04.045 | ||
CHEMBL427396 | 166331 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 482 | 7 | 3 | 4 | 3.7 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)NCC1CCN(Cc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2006.04.045 | ||
44442560 | 154902 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 490 | 11 | 4 | 4 | 2.6 | C=CCNC(=O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL401011 | 154902 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 490 | 11 | 4 | 4 | 2.6 | C=CCNC(=O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | ||
11548199 | 89893 | 0 | None | - | 0 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 525 | 6 | 2 | 3 | 5.2 | O=C(O)[C@H](C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
CHEMBL237967 | 89893 | 0 | None | - | 0 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 525 | 6 | 2 | 3 | 5.2 | O=C(O)[C@H](C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
11548199 | 89893 | 0 | None | - | 0 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 525 | 6 | 2 | 3 | 5.2 | O=C(O)[C@H](C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
CHEMBL237967 | 89893 | 0 | None | - | 0 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 525 | 6 | 2 | 3 | 5.2 | O=C(O)[C@H](C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
11548199 | 89893 | 0 | None | - | 0 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 525 | 6 | 2 | 3 | 5.2 | O=C(O)[C@H](C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
CHEMBL237967 | 89893 | 0 | None | - | 0 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 525 | 6 | 2 | 3 | 5.2 | O=C(O)[C@H](C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
42632863 | 93327 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 373 | 5 | 1 | 2 | 4.3 | C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)cc2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
CHEMBL245497 | 93327 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 373 | 5 | 1 | 2 | 4.3 | C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)cc2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
44444104 | 94042 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 458 | 5 | 0 | 2 | 5.8 | O=C(/C=C/c1ccc(F)c(F)c1)N1CCC(CN2CCC(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.07.065 | ||
CHEMBL249008 | 94042 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 458 | 5 | 0 | 2 | 5.8 | O=C(/C=C/c1ccc(F)c(F)c1)N1CCC(CN2CCC(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.07.065 | ||
10957890 | 23062 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 310 | 3 | 1 | 3 | 3.9 | N#Cc1cccc(Cn2c(C(=O)O)cc3cc(Cl)ccc32)c1 | 10.1016/j.bmcl.2003.10.049 | ||
CHEMBL133063 | 23062 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 310 | 3 | 1 | 3 | 3.9 | N#Cc1cccc(Cn2c(C(=O)O)cc3cc(Cl)ccc32)c1 | 10.1016/j.bmcl.2003.10.049 | ||
44415992 | 80580 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 538 | 7 | 1 | 2 | 7.1 | CC(C)[C@H](CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | ||
CHEMBL215093 | 80580 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 538 | 7 | 1 | 2 | 7.1 | CC(C)[C@H](CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | ||
44453300 | 97407 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 451 | 7 | 2 | 4 | 3.5 | CSc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL270005 | 97407 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 451 | 7 | 2 | 4 | 3.5 | CSc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
44441382 | 153034 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 407 | 5 | 1 | 2 | 4.7 | C[N+](C)(Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
CHEMBL397595 | 153034 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 407 | 5 | 1 | 2 | 4.7 | C[N+](C)(Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
11706775 | 145743 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 564 | 13 | 1 | 4 | 7.7 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cccc(C(F)(F)F)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
CHEMBL391668 | 145743 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 564 | 13 | 1 | 4 | 7.7 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cccc(C(F)(F)F)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
11706775 | 145743 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 564 | 13 | 1 | 4 | 7.7 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cccc(C(F)(F)F)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
CHEMBL391668 | 145743 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 564 | 13 | 1 | 4 | 7.7 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cccc(C(F)(F)F)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
44453562 | 155630 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 431 | 7 | 3 | 6 | 2.0 | Nc1ccc([N+](=O)[O-])cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL404837 | 155630 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 431 | 7 | 3 | 6 | 2.0 | Nc1ccc([N+](=O)[O-])cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
56678640 | 65728 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 488 | 7 | 4 | 6 | 1.7 | CS(=O)(=O)N[C@H]1CC[C@@H](N2CC(NC(=O)CNc3n[nH]c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834650 | 65728 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 488 | 7 | 4 | 6 | 1.7 | CS(=O)(=O)N[C@H]1CC[C@@H](N2CC(NC(=O)CNc3n[nH]c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
54768836 | 86567 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 508 | 6 | 2 | 6 | 4.5 | N#Cc1ccccc1[C@H]1CC[C@@H](N2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2012.12.017 | ||
CHEMBL2315936 | 86567 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 508 | 6 | 2 | 6 | 4.5 | N#Cc1ccccc1[C@H]1CC[C@@H](N2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2012.12.017 | ||
72947193 | 105204 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 568 | 6 | 1 | 7 | 3.3 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCC(C)C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
CHEMBL3115105 | 105204 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 568 | 6 | 1 | 7 | 3.3 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCC(C)C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
10585 | 1074 | 1 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
145996522 | 1074 | 1 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4531005 | 1074 | 1 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
57401954 | 68930 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc(F)c(F)c2)CC1 | nan | ||
CHEMBL1922822 | 68930 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc(F)c(F)c2)CC1 | nan | ||
57656871 | 75198 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 413 | 3 | 2 | 4 | 2.0 | CCN1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036780 | 75198 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 413 | 3 | 2 | 4 | 2.0 | CCN1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
49764447 | 65392 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 475 | 6 | 3 | 4 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccc(O)cc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
CHEMBL1829613 | 65392 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 475 | 6 | 3 | 4 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccc(O)cc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
54755801 | 65730 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 559 | 8 | 3 | 8 | 3.7 | O=C(CNc1nn(CCO)c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834652 | 65730 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 559 | 8 | 3 | 8 | 3.7 | O=C(CNc1nn(CCO)c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
24801525 | 97581 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 526 | 7 | 4 | 5 | 1.9 | NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1021/jm701488f | ||
CHEMBL270906 | 97581 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 526 | 7 | 4 | 5 | 1.9 | NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1021/jm701488f | ||
22143104 | 188034 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 483 | 7 | 5 | 5 | 2.3 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)NC1CNCCC1NCc1ccc(Cl)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
CHEMBL497780 | 188034 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 483 | 7 | 5 | 5 | 2.3 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)NC1CNCCC1NCc1ccc(Cl)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
44573488 | 187655 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 482 | 6 | 2 | 3 | 5.6 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCSC2)C1 | 10.1007/s00044-010-9501-4 | ||
CHEMBL495165 | 187655 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 482 | 6 | 2 | 3 | 5.6 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCSC2)C1 | 10.1007/s00044-010-9501-4 | ||
71517575 | 86359 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 497 | 5 | 1 | 6 | 3.0 | COC1COCCC1N[C@@H]1C[C@H]2C[C@H](OC)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
CHEMBL2313780 | 86359 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 497 | 5 | 1 | 6 | 3.0 | COC1COCCC1N[C@@H]1C[C@H]2C[C@H](OC)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
49764700 | 65408 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 493 | 6 | 3 | 4 | 3.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@](O)(c3ccc(F)cc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
CHEMBL1829629 | 65408 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 493 | 6 | 3 | 4 | 3.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@](O)(c3ccc(F)cc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
127025461 | 137360 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 348 | 3 | 2 | 2 | 4.0 | C[C@@]1(c2ccc(Cl)c(C(F)(F)F)c2)C[C@@H](CO)CC=C1C(=O)O | 10.1016/j.bmcl.2015.11.051 | ||
CHEMBL3753161 | 137360 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 348 | 3 | 2 | 2 | 4.0 | C[C@@]1(c2ccc(Cl)c(C(F)(F)F)c2)C[C@@H](CO)CC=C1C(=O)O | 10.1016/j.bmcl.2015.11.051 | ||
11692057 | 145464 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 516 | 7 | 2 | 5 | 4.7 | O=C(O)C(C1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
CHEMBL391460 | 145464 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 516 | 7 | 2 | 5 | 4.7 | O=C(O)C(C1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
23656585 | 147606 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 525 | 6 | 2 | 3 | 5.2 | O=C(O)[C@@H](C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
CHEMBL393135 | 147606 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 525 | 6 | 2 | 3 | 5.2 | O=C(O)[C@@H](C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
44444009 | 93971 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 424 | 10 | 1 | 3 | 5.0 | COc1ccc(C2CCN(CCCCCNC(=O)/C=C/c3ccc(F)cc3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | ||
CHEMBL248642 | 93971 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 424 | 10 | 1 | 3 | 5.0 | COc1ccc(C2CCN(CCCCCNC(=O)/C=C/c3ccc(F)cc3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | ||
23441036 | 67181 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 510 | 8 | 3 | 7 | 3.3 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccc(O)cc3)c3ccc(O)cc3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
CHEMBL187856 | 67181 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 510 | 8 | 3 | 7 | 3.3 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccc(O)cc3)c3ccc(O)cc3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
24801180 | 98012 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 467 | 7 | 3 | 3 | 4.3 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@H]1NCc1ccc(Cl)cc1 | 10.1021/jm701488f | ||
CHEMBL273079 | 98012 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 467 | 7 | 3 | 3 | 4.3 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@H]1NCc1ccc(Cl)cc1 | 10.1021/jm701488f | ||
11577400 | 58425 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 535 | 5 | 1 | 4 | 5.3 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.015 | ||
CHEMBL1683056 | 58425 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 535 | 5 | 1 | 4 | 5.3 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.015 | ||
71768899 | 111097 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 543 | 4 | 1 | 5 | 4.5 | O=C(O)c1ccc(C2CCN([C@@H]3C[C@H]4OCC[C@@]4(C(=O)N4CCc5ncc(C(F)(F)F)cc5C4)C3)CC2)cc1 | 10.1016/j.bmcl.2014.03.036 | ||
CHEMBL3263284 | 111097 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 543 | 4 | 1 | 5 | 4.5 | O=C(O)c1ccc(C2CCN([C@@H]3C[C@H]4OCC[C@@]4(C(=O)N4CCc5ncc(C(F)(F)F)cc5C4)C3)CC2)cc1 | 10.1016/j.bmcl.2014.03.036 | ||
44415927 | 80826 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 512 | 9 | 1 | 2 | 6.8 | C=CC[C@H](CCN1CCC(c2ccccc2)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | ||
CHEMBL215271 | 80826 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 512 | 9 | 1 | 2 | 6.8 | C=CC[C@H](CCN1CCC(c2ccccc2)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | ||
11364218 | 73775 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 509 | 12 | 4 | 5 | 4.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(C(F)(F)F)ccc1OC | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018529 | 73775 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 509 | 12 | 4 | 5 | 4.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(C(F)(F)F)ccc1OC | 10.1016/j.bmcl.2012.03.007 | ||
24801179 | 156616 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 461 | 7 | 3 | 3 | 4.3 | Cc1ccc(CN[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)c(C)c1 | 10.1021/jm701488f | ||
CHEMBL406925 | 156616 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 461 | 7 | 3 | 3 | 4.3 | Cc1ccc(CN[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)c(C)c1 | 10.1021/jm701488f | ||
10458152 | 77772 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 487 | 8 | 2 | 3 | 5.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | ||
CHEMBL209267 | 77772 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 487 | 8 | 2 | 3 | 5.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | ||
4485 | 69350 | 118 | None | -1 | 8 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 346 | 4 | 1 | 7 | 2.2 | COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-] | nan | ||
CHEMBL193 | 69350 | 118 | None | -1 | 8 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 346 | 4 | 1 | 7 | 2.2 | COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-] | nan | ||
68003782 | 86554 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 506 | 6 | 3 | 8 | 3.1 | O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@](O)(c3ccns3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | ||
CHEMBL2315923 | 86554 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 506 | 6 | 3 | 8 | 3.1 | O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@](O)(c3ccns3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | ||
68004010 | 86557 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 548 | 7 | 3 | 8 | 4.3 | CC(C)c1ncc([C@]2(O)CC[C@H](N3CC(NC(=O)CNc4ncnc5ccc(C(F)(F)F)cc45)C3)CC2)s1 | 10.1016/j.bmcl.2012.12.017 | ||
CHEMBL2315926 | 86557 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 548 | 7 | 3 | 8 | 4.3 | CC(C)c1ncc([C@]2(O)CC[C@H](N3CC(NC(=O)CNc4ncnc5ccc(C(F)(F)F)cc45)C3)CC2)s1 | 10.1016/j.bmcl.2012.12.017 | ||
71530223 | 86343 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 467 | 4 | 1 | 5 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
CHEMBL2313764 | 86343 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 467 | 4 | 1 | 5 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
49764196 | 65412 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 519 | 6 | 3 | 6 | 2.8 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@](O)(c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
CHEMBL1829633 | 65412 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 519 | 6 | 3 | 6 | 2.8 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@](O)(c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
44573487 | 192610 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 496 | 6 | 2 | 3 | 6.0 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCSCC2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
CHEMBL521697 | 192610 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 496 | 6 | 2 | 3 | 6.0 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCSCC2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
53320171 | 58446 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 512 | 7 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](CC(C)C)(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 | 10.1016/j.bmcl.2011.01.015 | ||
CHEMBL1683079 | 58446 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 512 | 7 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](CC(C)C)(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 | 10.1016/j.bmcl.2011.01.015 | ||
72948000 | 105197 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 601 | 6 | 2 | 6 | 3.4 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)NCc3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
CHEMBL3115099 | 105197 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 601 | 6 | 2 | 6 | 3.4 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)NCc3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
67774351 | 130612 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 521 | 7 | 3 | 3 | 5.5 | O=C(O)C(N[C@H]1CC[C@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | nan | ||
CHEMBL3681884 | 130612 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 521 | 7 | 3 | 3 | 5.5 | O=C(O)C(N[C@H]1CC[C@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | nan | ||
46241827 | 83535 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 520 | 7 | 3 | 6 | 2.8 | COc1ncc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1C | 10.1021/ml300260s | ||
CHEMBL2204246 | 83535 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 520 | 7 | 3 | 6 | 2.8 | COc1ncc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1C | 10.1021/ml300260s | ||
10458152 | 77772 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 487 | 8 | 2 | 3 | 5.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccccc1 | 10.1021/jm060439n | ||
CHEMBL209267 | 77772 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 487 | 8 | 2 | 3 | 5.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccccc1 | 10.1021/jm060439n | ||
44353396 | 115223 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 313 | 3 | 1 | 2 | 4.7 | Cc1ccc(Cn2c(C(=O)O)cc3cc(Cl)ccc32)cc1C | 10.1016/j.bmcl.2003.10.049 | ||
CHEMBL334766 | 115223 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 313 | 3 | 1 | 2 | 4.7 | Cc1ccc(Cn2c(C(=O)O)cc3cc(Cl)ccc32)cc1C | 10.1016/j.bmcl.2003.10.049 | ||
10203447 | 154604 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 437 | 9 | 4 | 4 | 2.3 | Cc1ccc(CNC[C@H](CO)NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL399328 | 154604 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 437 | 9 | 4 | 4 | 2.3 | Cc1ccc(CNC[C@H](CO)NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | ||
10203447 | 154604 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 437 | 9 | 4 | 4 | 2.3 | Cc1ccc(CNC[C@H](CO)NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL399328 | 154604 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 437 | 9 | 4 | 4 | 2.3 | Cc1ccc(CNC[C@H](CO)NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
44444103 | 94007 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 470 | 5 | 0 | 2 | 6.4 | Cc1ccc(C2CCN(CC3CCN(C(=O)/C=C/c4ccc(Cl)c(Cl)c4)CC3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | ||
CHEMBL248814 | 94007 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 470 | 5 | 0 | 2 | 6.4 | Cc1ccc(C2CCN(CC3CCN(C(=O)/C=C/c4ccc(Cl)c(Cl)c4)CC3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | ||
90656020 | 111082 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 602 | 6 | 1 | 7 | 3.9 | COC1COCCC1N[C@@H]1C[C@H]2N(C(=O)OCc3ccccc3)CC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
CHEMBL3263267 | 111082 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 602 | 6 | 1 | 7 | 3.9 | COC1COCCC1N[C@@H]1C[C@H]2N(C(=O)OCc3ccccc3)CC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
22310839 | 21709 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 397 | 4 | 1 | 4 | 4.1 | CS(=O)(=O)c1ccc2c(c1)cc(C(=O)O)n2Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
CHEMBL131885 | 21709 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 397 | 4 | 1 | 4 | 4.1 | CS(=O)(=O)c1ccc2c(c1)cc(C(=O)O)n2Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
89823443 | 126317 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 532 | 5 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(C(F)(F)F)c2C#N)C1 | nan | ||
CHEMBL3650390 | 126317 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 532 | 5 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(C(F)(F)F)c2C#N)C1 | nan | ||
44395097 | 67036 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 385 | 7 | 2 | 3 | 2.9 | O=C(CCNC(=O)c1ccccc1)NC1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2004.08.009 | ||
CHEMBL187237 | 67036 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 385 | 7 | 2 | 3 | 2.9 | O=C(CCNC(=O)c1ccccc1)NC1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2004.08.009 | ||
44442541 | 154796 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 478 | 10 | 4 | 4 | 2.5 | CCNC(=O)[C@@H](CNC(=O)CNC(=O)c1cccc(C(F)(F)F)c1)NCc1ccc(C)cc1C | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL400382 | 154796 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 478 | 10 | 4 | 4 | 2.5 | CCNC(=O)[C@@H](CNC(=O)CNC(=O)c1cccc(C(F)(F)F)c1)NCc1ccc(C)cc1C | 10.1016/j.bmcl.2007.07.028 | ||
44439155 | 91945 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 594 | 12 | 4 | 6 | 5.2 | COC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
CHEMBL241497 | 91945 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 594 | 12 | 4 | 6 | 5.2 | COC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
53317526 | 58443 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 470 | 5 | 1 | 6 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C)(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 | 10.1016/j.bmcl.2011.01.015 | ||
CHEMBL1683076 | 58443 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 470 | 5 | 1 | 6 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C)(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 | 10.1016/j.bmcl.2011.01.015 | ||
46842235 | 7804 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 598 | 8 | 2 | 4 | 4.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL1089629 | 7804 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 598 | 8 | 2 | 4 | 4.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
44453298 | 155215 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 421 | 6 | 3 | 4 | 2.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(O)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL402723 | 155215 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 421 | 6 | 3 | 4 | 2.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(O)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
44570780 | 184021 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 508 | 7 | 4 | 5 | 3.0 | CSc1ccc(C(=O)NC2CC(N)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
CHEMBL482201 | 184021 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 508 | 7 | 4 | 5 | 3.0 | CSc1ccc(C(=O)NC2CC(N)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
44425649 | 86100 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 554 | 6 | 1 | 2 | 7.5 | C[C@H]1CN(C2CCC(CC3CCC3)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
CHEMBL231142 | 86100 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 554 | 6 | 1 | 2 | 7.5 | C[C@H]1CN(C2CCC(CC3CCC3)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
44425305 | 86035 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 555 | 8 | 1 | 4 | 6.9 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CCN1CCC(c2ccccc2)CC1)c1cscn1 | 10.1016/j.bmcl.2006.10.059 | ||
CHEMBL230828 | 86035 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 555 | 8 | 1 | 4 | 6.9 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CCN1CCC(c2ccccc2)CC1)c1cscn1 | 10.1016/j.bmcl.2006.10.059 | ||
69285465 | 121204 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 457 | 9 | 2 | 4 | 3.5 | COCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | ||
CHEMBL3577938 | 121204 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 457 | 9 | 2 | 4 | 3.5 | COCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | ||
68003997 | 86571 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 530 | 6 | 3 | 8 | 3.6 | N#Cc1cc(NCC(=O)NC2CN([C@H]3CC[C@@](O)(c4cncs4)CC3)C2)c2cc(C(F)(F)F)ccc2n1 | 10.1016/j.bmcl.2012.12.017 | ||
CHEMBL2315940 | 86571 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 530 | 6 | 3 | 8 | 3.6 | N#Cc1cc(NCC(=O)NC2CN([C@H]3CC[C@@](O)(c4cncs4)CC3)C2)c2cc(C(F)(F)F)ccc2n1 | 10.1016/j.bmcl.2012.12.017 | ||
57344298 | 68923 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 502 | 7 | 3 | 3 | 4.7 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cccc(F)c2)CC1 | nan | ||
CHEMBL1922814 | 68923 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 502 | 7 | 3 | 3 | 4.7 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cccc(F)c2)CC1 | nan | ||
71517240 | 86349 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 485 | 4 | 1 | 5 | 3.3 | COC1COCCC1N[C@@H]1C[C@H]2C[C@H](F)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
CHEMBL2313770 | 86349 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 485 | 4 | 1 | 5 | 3.3 | COC1COCCC1N[C@@H]1C[C@H]2C[C@H](F)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
56659295 | 65780 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 503 | 7 | 2 | 7 | 4.2 | COc1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4noc5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834852 | 65780 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 503 | 7 | 2 | 7 | 4.2 | COc1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4noc5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2011.08.074 | ||
44425318 | 150287 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 732 | 10 | 2 | 6 | 8.5 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)Cc3cccs3)n2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | ||
CHEMBL395289 | 150287 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 732 | 10 | 2 | 6 | 8.5 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)Cc3cccs3)n2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | ||
44442586 | 93782 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 521 | 9 | 5 | 5 | 2.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(N)cc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL247621 | 93782 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 521 | 9 | 5 | 5 | 2.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(N)cc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
44442588 | 93889 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 577 | 12 | 5 | 5 | 4.3 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NCC(C)C)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL248188 | 93889 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 577 | 12 | 5 | 5 | 4.3 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NCC(C)C)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
24801526 | 97588 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 541 | 7 | 5 | 6 | 1.5 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@H]1CCCC[C@H]1NC(=O)c1ccc(S(N)(=O)=O)cc1 | 10.1021/jm701488f | ||
CHEMBL270959 | 97588 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 541 | 7 | 5 | 6 | 1.5 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@H]1CCCC[C@H]1NC(=O)c1ccc(S(N)(=O)=O)cc1 | 10.1021/jm701488f | ||
72947413 | 105229 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 510 | 4 | 1 | 6 | 2.0 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(C)=O)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
CHEMBL3115271 | 105229 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 510 | 4 | 1 | 6 | 2.0 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(C)=O)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
57344229 | 130614 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 542 | 6 | 4 | 3 | 6.5 | O=C(O)C(N[C@H]1CC[C@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 | nan | ||
CHEMBL3681886 | 130614 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 542 | 6 | 4 | 3 | 6.5 | O=C(O)C(N[C@H]1CC[C@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 | nan | ||
54755562 | 65757 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 549 | 8 | 2 | 7 | 4.0 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(CC(F)(F)F)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834780 | 65757 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 549 | 8 | 2 | 7 | 4.0 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(CC(F)(F)F)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
25268440 | 93878 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 373 | 5 | 1 | 2 | 4.3 | C[N+](C)(Cc1ccc(NC(=O)c2cccc(Cl)c2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
CHEMBL248153 | 93878 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 373 | 5 | 1 | 2 | 4.3 | C[N+](C)(Cc1ccc(NC(=O)c2cccc(Cl)c2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
44573651 | 187185 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 508 | 6 | 2 | 3 | 5.9 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | ||
CHEMBL492376 | 187185 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 508 | 6 | 2 | 3 | 5.9 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | ||
10276594 | 93936 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 464 | 9 | 4 | 4 | 2.1 | CNC(=O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL248420 | 93936 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 464 | 9 | 4 | 4 | 2.1 | CNC(=O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | ||
15290299 | 22584 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 319 | 3 | 1 | 2 | 4.7 | O=C(O)c1cc2ccccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
CHEMBL132664 | 22584 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 319 | 3 | 1 | 2 | 4.7 | O=C(O)c1cc2ccccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
22310883 | 116714 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 334 | 3 | 2 | 3 | 4.3 | Nc1cccc2c1cc(C(=O)O)n2Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
CHEMBL337485 | 116714 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 334 | 3 | 2 | 3 | 4.3 | Nc1cccc2c1cc(C(=O)O)n2Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
44573699 | 187650 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 508 | 6 | 2 | 3 | 5.8 | CC1COCC(C)C1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1007/s00044-010-9501-4 | ||
CHEMBL495151 | 187650 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 508 | 6 | 2 | 3 | 5.8 | CC1COCC(C)C1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1007/s00044-010-9501-4 | ||
44395029 | 127262 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 453 | 7 | 2 | 3 | 3.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NCC1CCCN1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2004.08.009 | ||
CHEMBL365854 | 127262 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 453 | 7 | 2 | 3 | 3.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NCC1CCCN1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2004.08.009 | ||
44444002 | 93967 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 410 | 9 | 1 | 3 | 4.6 | COc1ccc(C2CCN(CCCCNC(=O)/C=C/c3ccc(F)cc3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | ||
CHEMBL248638 | 93967 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 410 | 9 | 1 | 3 | 4.6 | COc1ccc(C2CCN(CCCCNC(=O)/C=C/c3ccc(F)cc3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | ||
22310869 | 19441 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 349 | 4 | 1 | 3 | 4.7 | COc1ccc2cc(C(=O)O)n(Cc3ccc(Cl)c(Cl)c3)c2c1 | 10.1016/j.bmcl.2003.10.049 | ||
CHEMBL129833 | 19441 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 349 | 4 | 1 | 3 | 4.7 | COc1ccc2cc(C(=O)O)n(Cc3ccc(Cl)c(Cl)c3)c2c1 | 10.1016/j.bmcl.2003.10.049 | ||
183790 | 3715 | 11 | None | - | 2 | Mouse | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.bmc.2015.02.019 | ||
783 | 3715 | 11 | None | - | 2 | Mouse | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.bmc.2015.02.019 | ||
CHEMBL1178786 | 3715 | 11 | None | - | 2 | Mouse | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.bmc.2015.02.019 | ||
44415939 | 140108 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 510 | 6 | 1 | 2 | 6.4 | C[C@H](CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | ||
CHEMBL380190 | 140108 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 510 | 6 | 1 | 2 | 6.4 | C[C@H](CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | ||
44425638 | 153510 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 620 | 9 | 1 | 2 | 9.2 | CCCCCCC1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
CHEMBL398001 | 153510 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 620 | 9 | 1 | 2 | 9.2 | CCCCCCC1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
44415996 | 80014 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 586 | 8 | 1 | 2 | 7.7 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(C=Cc3ccccc32)CC1)Cc1ccccc1 | 10.1016/j.bmcl.2006.07.011 | ||
CHEMBL212939 | 80014 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 586 | 8 | 1 | 2 | 7.7 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(C=Cc3ccccc32)CC1)Cc1ccccc1 | 10.1016/j.bmcl.2006.07.011 | ||
53317527 | 58451 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 526 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C2CCOC2)C1 | 10.1016/j.bmcl.2011.01.015 | ||
CHEMBL1683084 | 58451 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 526 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C2CCOC2)C1 | 10.1016/j.bmcl.2011.01.015 | ||
71518406 | 86372 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 421 | 3 | 1 | 3 | 4.5 | O=C(N1CCc2ncc(C(F)(F)F)cc2C1)[C@@]12CCC[C@@H]1C[C@@H](NC1CCCC1)C2 | 10.1016/j.bmcl.2012.10.069 | ||
CHEMBL2314056 | 86372 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 421 | 3 | 1 | 3 | 4.5 | O=C(N1CCc2ncc(C(F)(F)F)cc2C1)[C@@]12CCC[C@@H]1C[C@@H](NC1CCCC1)C2 | 10.1016/j.bmcl.2012.10.069 | ||
89823349 | 126290 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 521 | 5 | 1 | 5 | 4.1 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(C)c(C(F)(F)F)c2)C1 | nan | ||
CHEMBL3650364 | 126290 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 521 | 5 | 1 | 5 | 4.1 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(C)c(C(F)(F)F)c2)C1 | nan | ||
44593562 | 187471 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 494 | 6 | 2 | 3 | 5.6 | CC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1007/s00044-010-9501-4 | ||
CHEMBL494191 | 187471 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 494 | 6 | 2 | 3 | 5.6 | CC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1007/s00044-010-9501-4 | ||
44453370 | 155719 | 1 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 385 | 6 | 2 | 3 | 2.8 | Cc1cccc(C(=O)NCC(=O)N[C@@H]2CCN(Cc3ccc(Cl)cc3)C2)c1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL405632 | 155719 | 1 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 385 | 6 | 2 | 3 | 2.8 | Cc1cccc(C(=O)NCC(=O)N[C@@H]2CCN(Cc3ccc(Cl)cc3)C2)c1 | 10.1016/j.bmcl.2008.02.015 | ||
44573538 | 193242 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 526 | 6 | 2 | 2 | 6.7 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCc3ccccc3C2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
CHEMBL523861 | 193242 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 526 | 6 | 2 | 2 | 6.7 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCc3ccccc3C2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
11606167 | 90921 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 526 | 14 | 1 | 5 | 6.7 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cccc(OC)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
CHEMBL239359 | 90921 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 526 | 14 | 1 | 5 | 6.7 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cccc(OC)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
11606167 | 90921 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 526 | 14 | 1 | 5 | 6.7 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cccc(OC)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
CHEMBL239359 | 90921 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 526 | 14 | 1 | 5 | 6.7 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cccc(OC)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
71519381 | 86344 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 467 | 4 | 1 | 5 | 3.3 | CO[C@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
CHEMBL2313765 | 86344 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 467 | 4 | 1 | 5 | 3.3 | CO[C@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
86767124 | 129381 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 483 | 4 | 1 | 6 | 2.7 | COC1COCCC1NC1CC2OC(C)CC2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | nan | ||
CHEMBL3671257 | 129381 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 483 | 4 | 1 | 6 | 2.7 | COC1COCCC1NC1CC2OC(C)CC2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | nan | ||
11489078 | 73776 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 509 | 12 | 4 | 5 | 4.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(OC)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018530 | 73776 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 509 | 12 | 4 | 5 | 4.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(OC)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
44447815 | 155014 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 592 | 6 | 2 | 5 | 6.0 | CC(C)(O)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cc(Cl)ncn3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
CHEMBL401608 | 155014 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 592 | 6 | 2 | 5 | 6.0 | CC(C)(O)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cc(Cl)ncn3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
53320350 | 58645 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 463 | 6 | 1 | 5 | 2.8 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CC(C)(C)C)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.052 | ||
CHEMBL1684697 | 58645 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 463 | 6 | 1 | 5 | 2.8 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CC(C)(C)C)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.052 | ||
10162782 | 73677 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 479 | 11 | 4 | 4 | 3.5 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | ||
CHEMBL2018370 | 73677 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 479 | 11 | 4 | 4 | 3.5 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | ||
11180885 | 73706 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 594 | 12 | 5 | 6 | 5.4 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(C(F)(F)F)ccc1NC(=O)OC(C)(C)C | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018399 | 73706 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 594 | 12 | 5 | 6 | 5.4 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(C(F)(F)F)ccc1NC(=O)OC(C)(C)C | 10.1016/j.bmcl.2012.03.007 | ||
49763575 | 65415 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 474 | 6 | 3 | 4 | 3.0 | N[C@]1(c2ccccc2)CC[C@H](N2CC(NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1 | 10.1016/j.bmcl.2011.06.080 | ||
CHEMBL1829637 | 65415 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 474 | 6 | 3 | 4 | 3.0 | N[C@]1(c2ccccc2)CC[C@H](N2CC(NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1 | 10.1016/j.bmcl.2011.06.080 | ||
44444112 | 154818 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 454 | 7 | 1 | 3 | 5.2 | COc1ccc(C2CCN(CC3CCC(NC(=O)/C=C/c4cc(F)cc(F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | ||
CHEMBL400484 | 154818 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 454 | 7 | 1 | 3 | 5.2 | COc1ccc(C2CCN(CC3CCC(NC(=O)/C=C/c4cc(F)cc(F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | ||
44449204 | 95680 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 581 | 8 | 3 | 3 | 5.4 | CCNC(=O)NCC(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
CHEMBL258252 | 95680 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 581 | 8 | 3 | 3 | 5.4 | CCNC(=O)NCC(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
44395222 | 67014 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 512 | 8 | 2 | 6 | 3.8 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3cccc(O)c3)c3cccc(F)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
CHEMBL187126 | 67014 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 512 | 8 | 2 | 6 | 3.8 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3cccc(O)c3)c3cccc(F)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
10279914 | 73675 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 527 | 11 | 4 | 4 | 3.9 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](O)Cc2ccccc2)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018368 | 73675 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 527 | 11 | 4 | 4 | 3.9 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](O)Cc2ccccc2)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | ||
44453369 | 97740 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 405 | 6 | 2 | 3 | 3.1 | O=C(CNC(=O)c1cccc(Cl)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL271726 | 97740 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 405 | 6 | 2 | 3 | 3.1 | O=C(CNC(=O)c1cccc(Cl)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
122181144 | 121806 | 0 | None | - | 0 | Mouse | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 514 | 6 | 1 | 3 | 5.7 | O=C(CCCN1CCC2(CC1)OCCc1ccccc12)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmc.2015.02.019 | ||
CHEMBL3589839 | 121806 | 0 | None | - | 0 | Mouse | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 514 | 6 | 1 | 3 | 5.7 | O=C(CCCN1CCC2(CC1)OCCc1ccccc12)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmc.2015.02.019 | ||
8447 | 188925 | 84 | None | -12 | 13 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 332 | 3 | 0 | 6 | 5.7 | c1ccc2sc(SSc3nc4ccccc4s3)nc2c1 | nan | ||
CHEMBL508112 | 188925 | 84 | None | -12 | 13 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 332 | 3 | 0 | 6 | 5.7 | c1ccc2sc(SSc3nc4ccccc4s3)nc2c1 | nan | ||
44415900 | 79907 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 589 | 8 | 2 | 4 | 4.7 | CS(=O)(=O)NC(CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | ||
CHEMBL212542 | 79907 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 589 | 8 | 2 | 4 | 4.7 | CS(=O)(=O)NC(CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | ||
3117 | 207818 | 103 | None | -2 | 16 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 296 | 4 | 0 | 4 | 3.6 | CCN(CC)C(=S)SSC(=S)N(CC)CC | nan | ||
CHEMBL964 | 207818 | 103 | None | -2 | 16 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 296 | 4 | 0 | 4 | 3.6 | CCN(CC)C(=S)SSC(=S)N(CC)CC | nan | ||
71517737 | 86342 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 510 | 5 | 1 | 6 | 2.9 | COC1COCCC1N[C@@H]1C[C@H]2C[C@@H](N(C)C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
CHEMBL2313763 | 86342 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 510 | 5 | 1 | 6 | 2.9 | COC1COCCC1N[C@@H]1C[C@H]2C[C@@H](N(C)C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
127027956 | 137555 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 294 | 2 | 1 | 1 | 4.8 | Cc1ccc([C@]2(C)C[C@@H](C)CC=C2C(=O)O)c2ccccc12 | 10.1016/j.bmcl.2015.11.051 | ||
CHEMBL3754764 | 137555 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 294 | 2 | 1 | 1 | 4.8 | Cc1ccc([C@]2(C)C[C@@H](C)CC=C2C(=O)O)c2ccccc12 | 10.1016/j.bmcl.2015.11.051 | ||
69285531 | 121201 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 441 | 8 | 2 | 3 | 4.2 | CCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | ||
CHEMBL3577935 | 121201 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 441 | 8 | 2 | 3 | 4.2 | CCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | ||
57344303 | 68902 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 538 | 7 | 3 | 3 | 5.0 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | ||
CHEMBL1922789 | 68902 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 538 | 7 | 3 | 3 | 5.0 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | ||
57344305 | 68910 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 539 | 7 | 3 | 4 | 4.4 | NC(=O)C(NC1CCC(c2c[nH]c3cccnc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | ||
CHEMBL1922797 | 68910 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 539 | 7 | 3 | 4 | 4.4 | NC(=O)C(NC1CCC(c2c[nH]c3cccnc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | ||
46944853 | 65400 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 490 | 7 | 2 | 5 | 3.4 | COc1cc([C@H]2CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)ccn1 | 10.1016/j.bmcl.2011.06.080 | ||
CHEMBL1829621 | 65400 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 490 | 7 | 2 | 5 | 3.4 | COc1cc([C@H]2CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)ccn1 | 10.1016/j.bmcl.2011.06.080 | ||
56677288 | 65413 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 517 | 6 | 3 | 5 | 3.0 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@](O)(c3ccc4c(c3)OCC4)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
CHEMBL1829634 | 65413 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 517 | 6 | 3 | 5 | 3.0 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@](O)(c3ccc4c(c3)OCC4)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
44416157 | 80566 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 564 | 8 | 1 | 2 | 7.5 | C[C@H]1CN(CC[C@H](CC2CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | ||
CHEMBL215020 | 80566 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 564 | 8 | 1 | 2 | 7.5 | C[C@H]1CN(CC[C@H](CC2CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | ||
44413257 | 77412 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 464 | 8 | 1 | 3 | 5.4 | CN(C)CCS[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | ||
CHEMBL208685 | 77412 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 464 | 8 | 1 | 3 | 5.4 | CN(C)CCS[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | ||
11670968 | 169351 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 528 | 5 | 3 | 3 | 6.1 | O=C(O)C(C1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
CHEMBL442085 | 169351 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 528 | 5 | 3 | 3 | 6.1 | O=C(O)C(C1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
54585108 | 62533 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3ccnc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1782569 | 62533 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3ccnc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
89823348 | 126322 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 575 | 5 | 1 | 5 | 4.9 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccc2C(F)(F)F)C1 | nan | ||
CHEMBL3650395 | 126322 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 575 | 5 | 1 | 5 | 4.9 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccc2C(F)(F)F)C1 | nan | ||
46241609 | 83537 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 506 | 7 | 3 | 6 | 2.5 | COc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)nc1 | 10.1021/ml300260s | ||
CHEMBL2204248 | 83537 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 506 | 7 | 3 | 6 | 2.5 | COc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)nc1 | 10.1021/ml300260s | ||
25268085 | 93877 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 417 | 5 | 1 | 2 | 4.5 | C[N+](C)(Cc1ccc(NC(=O)c2cccc(Br)c2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
CHEMBL248151 | 93877 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 417 | 5 | 1 | 2 | 4.5 | C[N+](C)(Cc1ccc(NC(=O)c2cccc(Br)c2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
10227556 | 93937 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 478 | 9 | 3 | 4 | 2.4 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)N(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL248421 | 93937 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 478 | 9 | 3 | 4 | 2.4 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)N(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
89823555 | 126274 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 3.2 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@H]3C[C@@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | ||
CHEMBL3650348 | 126274 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 3.2 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@H]3C[C@@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | ||
89823534 | 126275 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 3.2 | CO[C@@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@H]3C[C@@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | ||
CHEMBL3650349 | 126275 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 3.2 | CO[C@@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@H]3C[C@@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | ||
89823347 | 126304 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 3.2 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ncccc2C(F)(F)F)C1 | nan | ||
CHEMBL3650378 | 126304 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 3.2 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ncccc2C(F)(F)F)C1 | nan | ||
89834736 | 126312 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 522 | 5 | 1 | 6 | 3.6 | CO[C@@H]1COCC[C@H]1NC1C[C@H]2CCC[C@@]2(C(=O)N2[C@H]3CC[C@@H]2CN(c2cc(C(F)(F)F)ccn2)C3)C1 | nan | ||
CHEMBL3650386 | 126312 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 522 | 5 | 1 | 6 | 3.6 | CO[C@@H]1COCC[C@H]1NC1C[C@H]2CCC[C@@]2(C(=O)N2[C@H]3CC[C@@H]2CN(c2cc(C(F)(F)F)ccn2)C3)C1 | nan | ||
53326900 | 58635 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 425 | 5 | 1 | 6 | 2.9 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C(C)C)(N2CCN(C(=O)OC(C)(C)C)CC2)C1 | 10.1016/j.bmcl.2011.01.052 | ||
CHEMBL1684682 | 58635 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 425 | 5 | 1 | 6 | 2.9 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C(C)C)(N2CCN(C(=O)OC(C)(C)C)CC2)C1 | 10.1016/j.bmcl.2011.01.052 | ||
127025447 | 137509 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 306 | 3 | 1 | 1 | 5.1 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2cccc(-c3ccccc3)c2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
CHEMBL3754334 | 137509 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 306 | 3 | 1 | 1 | 5.1 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2cccc(-c3ccccc3)c2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
42632888 | 93602 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 433 | 6 | 1 | 2 | 5.4 | C[N+](C)(Cc1ccc(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
CHEMBL246725 | 93602 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 433 | 6 | 1 | 2 | 5.4 | C[N+](C)(Cc1ccc(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
57656729 | 75197 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 414 | 3 | 1 | 4 | 2.4 | CCN1CCOC(C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036779 | 75197 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 414 | 3 | 1 | 4 | 2.4 | CCN1CCOC(C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
44593564 | 187208 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 498 | 6 | 2 | 3 | 5.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2008.12.050 | ||
CHEMBL492564 | 187208 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 498 | 6 | 2 | 3 | 5.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2008.12.050 | ||
70688149 | 75195 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 413 | 4 | 2 | 4 | 2.8 | CC(C)N1CCN[C@@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036777 | 75195 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 413 | 4 | 2 | 4 | 2.8 | CC(C)N1CCN[C@@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
44453472 | 155514 | 1 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 454 | 6 | 3 | 4 | 3.1 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL404259 | 155514 | 1 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 454 | 6 | 3 | 4 | 3.1 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
44425635 | 153508 | 0 | None | - | 0 | Mouse | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 592 | 6 | 1 | 2 | 8.2 | CC(C)C[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
CHEMBL398000 | 153508 | 0 | None | - | 0 | Mouse | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 592 | 6 | 1 | 2 | 8.2 | CC(C)C[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
10196988 | 169441 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 628 | 10 | 4 | 6 | 4.8 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL442929 | 169441 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 628 | 10 | 4 | 6 | 4.8 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
44442562 | 93704 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 504 | 9 | 3 | 4 | 2.9 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)N2CCCC2)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL247210 | 93704 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 504 | 9 | 3 | 4 | 2.9 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)N2CCCC2)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
44353464 | 20867 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 353 | 3 | 1 | 2 | 5.3 | O=C(O)c1c(Cl)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
CHEMBL131065 | 20867 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 353 | 3 | 1 | 2 | 5.3 | O=C(O)c1c(Cl)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
56661559 | 65720 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 453 | 6 | 3 | 6 | 2.4 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](C(=O)O)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834641 | 65720 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 453 | 6 | 3 | 6 | 2.4 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](C(=O)O)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
44444003 | 93968 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 460 | 9 | 1 | 3 | 5.8 | COc1ccc(C2CCN(CCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | ||
CHEMBL248639 | 93968 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 460 | 9 | 1 | 3 | 5.8 | COc1ccc(C2CCN(CCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | ||
44395195 | 171345 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 490 | 10 | 3 | 5 | 4.1 | Cc1csc(C(=O)NNC(=O)CN2CCCC2CNCCC(c2ccccc2)c2ccccc2)c1 | 10.1016/j.bmcl.2004.08.009 | ||
CHEMBL446178 | 171345 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 490 | 10 | 3 | 5 | 4.1 | Cc1csc(C(=O)NNC(=O)CN2CCCC2CNCCC(c2ccccc2)c2ccccc2)c1 | 10.1016/j.bmcl.2004.08.009 | ||
71517403 | 86354 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 535 | 4 | 1 | 5 | 4.1 | COC1COCCC1N[C@@H]1C[C@H]2C[C@@H](C(F)(F)F)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
CHEMBL2313775 | 86354 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 535 | 4 | 1 | 5 | 4.1 | COC1COCCC1N[C@@H]1C[C@H]2C[C@@H](C(F)(F)F)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
127025728 | 137511 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 244 | 2 | 1 | 1 | 3.7 | Cc1ccc([C@]2(C)C[C@@H](C)CC=C2C(=O)O)cc1 | 10.1016/j.bmcl.2015.11.051 | ||
CHEMBL3754349 | 137511 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 244 | 2 | 1 | 1 | 3.7 | Cc1ccc([C@]2(C)C[C@@H](C)CC=C2C(=O)O)cc1 | 10.1016/j.bmcl.2015.11.051 | ||
67774360 | 130602 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 557 | 7 | 4 | 4 | 5.5 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 | nan | ||
CHEMBL3681875 | 130602 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 557 | 7 | 4 | 4 | 5.5 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 | nan | ||
44453563 | 95060 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 430 | 6 | 2 | 4 | 2.7 | N#Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL255385 | 95060 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 430 | 6 | 2 | 4 | 2.7 | N#Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
57656869 | 75192 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 412 | 4 | 1 | 4 | 3.0 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@H]2CN(C3CC3)CCO2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036774 | 75192 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 412 | 4 | 1 | 4 | 3.0 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@H]2CN(C3CC3)CCO2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
24801180 | 98012 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 467 | 7 | 3 | 3 | 4.3 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@H]1NCc1ccc(Cl)cc1 | 10.1021/jm701488f | ||
CHEMBL273079 | 98012 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 467 | 7 | 3 | 3 | 4.3 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@H]1NCc1ccc(Cl)cc1 | 10.1021/jm701488f | ||
68004012 | 86556 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 520 | 6 | 3 | 8 | 3.5 | Cc1ncc([C@]2(O)CC[C@H](N3CC(NC(=O)CNc4ncnc5ccc(C(F)(F)F)cc45)C3)CC2)s1 | 10.1016/j.bmcl.2012.12.017 | ||
CHEMBL2315925 | 86556 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 520 | 6 | 3 | 8 | 3.5 | Cc1ncc([C@]2(O)CC[C@H](N3CC(NC(=O)CNc4ncnc5ccc(C(F)(F)F)cc45)C3)CC2)s1 | 10.1016/j.bmcl.2012.12.017 | ||
183790 | 3715 | 11 | None | -6 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.ejmech.2020.112311 | ||
783 | 3715 | 11 | None | -6 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.ejmech.2020.112311 | ||
CHEMBL1178786 | 3715 | 11 | None | -6 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.ejmech.2020.112311 | ||
72947595 | 105194 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 511 | 4 | 2 | 6 | 1.5 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(N)=O)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
CHEMBL3115096 | 105194 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 511 | 4 | 2 | 6 | 1.5 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(N)=O)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
183790 | 3715 | 11 | None | -6 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1007/s00044-010-9497-9 | ||
783 | 3715 | 11 | None | -6 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1007/s00044-010-9497-9 | ||
CHEMBL1178786 | 3715 | 11 | None | -6 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1007/s00044-010-9497-9 | ||
183790 | 3715 | 11 | None | -6 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm300682j | ||
783 | 3715 | 11 | None | -6 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm300682j | ||
CHEMBL1178786 | 3715 | 11 | None | -6 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm300682j | ||
57656640 | 75182 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 390 | 4 | 1 | 3 | 3.7 | Cc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C4CC4)C3)CC2)cc1Cl | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036762 | 75182 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 390 | 4 | 1 | 3 | 3.7 | Cc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C4CC4)C3)CC2)cc1Cl | 10.1016/j.bmcl.2012.04.118 | ||
10208946 | 73689 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 536 | 13 | 5 | 5 | 4.2 | CCCC(O)(CCC)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1N | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018382 | 73689 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 536 | 13 | 5 | 5 | 4.2 | CCCC(O)(CCC)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1N | 10.1016/j.bmcl.2012.03.007 | ||
46241718 | 83542 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 546 | 8 | 3 | 6 | 3.4 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3ccc(OC4CCC4)nc3)CC2)C1 | 10.1021/ml300260s | ||
CHEMBL2204253 | 83542 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 546 | 8 | 3 | 6 | 3.4 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3ccc(OC4CCC4)nc3)CC2)C1 | 10.1021/ml300260s | ||
49763931 | 65396 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 499 | 6 | 3 | 4 | 3.8 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccc4[nH]cnc4c3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
CHEMBL1829617 | 65396 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 499 | 6 | 3 | 4 | 3.8 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccc4[nH]cnc4c3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
54754723 | 65723 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 467 | 8 | 2 | 6 | 3.4 | CCOC[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(C)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834644 | 65723 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 467 | 8 | 2 | 6 | 3.4 | CCOC[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(C)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
54755081 | 65747 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 467 | 7 | 3 | 6 | 2.9 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3n[nH]c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834719 | 65747 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 467 | 7 | 3 | 6 | 2.9 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3n[nH]c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
57396901 | 70495 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 525 | 9 | 3 | 5 | 3.2 | CCN[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
CHEMBL1947042 | 70495 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 525 | 9 | 3 | 5 | 3.2 | CCN[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
44425650 | 86101 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 570 | 9 | 1 | 2 | 8.3 | CCCCCCC1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
CHEMBL231143 | 86101 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 570 | 9 | 1 | 2 | 8.3 | CCCCCCC1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
183790 | 3715 | 11 | None | -6 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.ejmech.2017.04.046 | ||
783 | 3715 | 11 | None | -6 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.ejmech.2017.04.046 | ||
CHEMBL1178786 | 3715 | 11 | None | -6 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.ejmech.2017.04.046 | ||
71768864 | 111086 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 485 | 5 | 1 | 7 | 2.2 | COC1COCCC1N[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CCc3ncc(OC(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
CHEMBL3263271 | 111086 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 485 | 5 | 1 | 7 | 2.2 | COC1COCCC1N[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CCc3ncc(OC(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
183790 | 3715 | 11 | None | -6 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/acs.jmedchem.9b01701 | ||
783 | 3715 | 11 | None | -6 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/acs.jmedchem.9b01701 | ||
CHEMBL1178786 | 3715 | 11 | None | -6 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/acs.jmedchem.9b01701 | ||
183790 | 3715 | 11 | None | -6 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm9906264 | ||
783 | 3715 | 11 | None | -6 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm9906264 | ||
CHEMBL1178786 | 3715 | 11 | None | -6 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm9906264 | ||
10175423 | 188422 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 614 | 10 | 4 | 6 | 4.4 | CCNC(=O)Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@H]1CCCC[C@H]1CS(=O)(=O)c1ccc(SC)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL502515 | 188422 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 614 | 10 | 4 | 6 | 4.4 | CCNC(=O)Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@H]1CCCC[C@H]1CS(=O)(=O)c1ccc(SC)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
53325639 | 58440 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1683073 | 58440 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
53321484 | 58447 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 510 | 7 | 1 | 6 | 3.5 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](CC2CC2)(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 | 10.1016/j.bmcl.2011.01.015 | ||
CHEMBL1683080 | 58447 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 510 | 7 | 1 | 6 | 3.5 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](CC2CC2)(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 | 10.1016/j.bmcl.2011.01.015 | ||
44573651 | 187185 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 508 | 6 | 2 | 3 | 5.9 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2(C)C)C1 | 10.1007/s00044-010-9501-4 | ||
CHEMBL492376 | 187185 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 508 | 6 | 2 | 3 | 5.9 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2(C)C)C1 | 10.1007/s00044-010-9501-4 | ||
57344297 | 68924 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 502 | 7 | 3 | 3 | 4.7 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccccc2F)CC1 | nan | ||
CHEMBL1922815 | 68924 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 502 | 7 | 3 | 3 | 4.7 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccccc2F)CC1 | nan | ||
46240381 | 83545 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 479 | 6 | 3 | 6 | 1.8 | Cn1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)n1 | 10.1021/ml300260s | ||
CHEMBL2204256 | 83545 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 479 | 6 | 3 | 6 | 1.8 | Cn1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)n1 | 10.1021/ml300260s | ||
44353223 | 116484 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 329 | 4 | 2 | 3 | 3.7 | O=C(O)c1cccc(Cn2c(C(=O)O)cc3cc(Cl)ccc32)c1 | 10.1016/j.bmcl.2003.10.049 | ||
CHEMBL336143 | 116484 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 329 | 4 | 2 | 3 | 3.7 | O=C(O)c1cccc(Cn2c(C(=O)O)cc3cc(Cl)ccc32)c1 | 10.1016/j.bmcl.2003.10.049 | ||
46886508 | 8285 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 620 | 8 | 3 | 6 | 6.2 | CSc1ccc(CN[C@@H]2CCCC[C@@H]2N2CC[C@H](NC(=O)c3cc(C(F)(F)F)ccc3NC(=O)OC(C)(C)C)C2=O)cc1 | 10.1016/j.bmcl.2010.03.035 | ||
CHEMBL1092739 | 8285 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 620 | 8 | 3 | 6 | 6.2 | CSc1ccc(CN[C@@H]2CCCC[C@@H]2N2CC[C@H](NC(=O)c3cc(C(F)(F)F)ccc3NC(=O)OC(C)(C)C)C2=O)cc1 | 10.1016/j.bmcl.2010.03.035 | ||
89823438 | 126305 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 3.2 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(C(F)(F)F)cn2)C1 | nan | ||
CHEMBL3650379 | 126305 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 3.2 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(C(F)(F)F)cn2)C1 | nan | ||
89823624 | 126306 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 474 | 5 | 1 | 6 | 2.9 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(Cl)c2)C1 | nan | ||
CHEMBL3650380 | 126306 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 474 | 5 | 1 | 6 | 2.9 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(Cl)c2)C1 | nan | ||
89823464 | 126326 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 546 | 5 | 0 | 6 | 4.1 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(C(F)(F)F)c2C#N)C1 | nan | ||
CHEMBL3650399 | 126326 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 546 | 5 | 0 | 6 | 4.1 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(C(F)(F)F)c2C#N)C1 | nan | ||
89823401 | 126330 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 512 | 5 | 0 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(Cl)c2C#N)C1 | nan | ||
CHEMBL3650402 | 126330 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 512 | 5 | 0 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(Cl)c2C#N)C1 | nan | ||
44425638 | 153510 | 0 | None | - | 0 | Mouse | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 620 | 9 | 1 | 2 | 9.2 | CCCCCCC1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
CHEMBL398001 | 153510 | 0 | None | - | 0 | Mouse | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 620 | 9 | 1 | 2 | 9.2 | CCCCCCC1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
72946381 | 105209 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 609 | 7 | 1 | 8 | 2.7 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCCN3CCCC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
CHEMBL3115110 | 105209 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 609 | 7 | 1 | 8 | 2.7 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCCN3CCCC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
68616341 | 73704 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 479 | 11 | 4 | 4 | 4.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018397 | 73704 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 479 | 11 | 4 | 4 | 4.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
56678507 | 65770 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 492 | 6 | 2 | 7 | 4.0 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4cncs4)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834793 | 65770 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 492 | 6 | 2 | 7 | 4.0 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4cncs4)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
44416138 | 138849 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 564 | 7 | 1 | 2 | 7.5 | C[C@H]1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CCC2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | ||
CHEMBL378195 | 138849 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 564 | 7 | 1 | 2 | 7.5 | C[C@H]1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CCC2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | ||
22143196 | 183963 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 509 | 7 | 5 | 6 | 2.0 | CSc1ccc(C(=O)NC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
CHEMBL481790 | 183963 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 509 | 7 | 5 | 6 | 2.0 | CSc1ccc(C(=O)NC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
44425642 | 142321 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 582 | 5 | 1 | 3 | 7.3 | CS[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
CHEMBL388675 | 142321 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 582 | 5 | 1 | 3 | 7.3 | CS[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
53325385 | 58428 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 481 | 5 | 1 | 4 | 4.6 | CC(C)[C@]1(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC[C@@H](N[C@H]2CCOC[C@@H]2C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
CHEMBL1683061 | 58428 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 481 | 5 | 1 | 4 | 4.6 | CC(C)[C@]1(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC[C@@H](N[C@H]2CCOC[C@@H]2C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
53326242 | 58658 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 452 | 4 | 2 | 4 | 2.7 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)NC(C)(C)C)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2011.01.052 | ||
CHEMBL1684711 | 58658 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 452 | 4 | 2 | 4 | 2.7 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)NC(C)(C)C)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2011.01.052 | ||
54584164 | 62538 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 504 | 6 | 1 | 7 | 3.4 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3nc(C(F)(F)F)cs3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1782574 | 62538 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 504 | 6 | 1 | 7 | 3.4 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3nc(C(F)(F)F)cs3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
44425649 | 86100 | 0 | None | - | 0 | Mouse | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 554 | 6 | 1 | 2 | 7.5 | C[C@H]1CN(C2CCC(CC3CCC3)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
CHEMBL231142 | 86100 | 0 | None | - | 0 | Mouse | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 554 | 6 | 1 | 2 | 7.5 | C[C@H]1CN(C2CCC(CC3CCC3)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
183790 | 3715 | 11 | None | -6 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.bmcl.2008.12.050 | ||
783 | 3715 | 11 | None | -6 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.bmcl.2008.12.050 | ||
CHEMBL1178786 | 3715 | 11 | None | -6 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.bmcl.2008.12.050 | ||
10323468 | 187648 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 494 | 6 | 2 | 3 | 5.7 | CC1CC(N[C@@H]2CC[C@@](C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(C)C)C2)CCO1 | 10.1016/j.bmcl.2008.12.050 | ||
CHEMBL495149 | 187648 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 494 | 6 | 2 | 3 | 5.7 | CC1CC(N[C@@H]2CC[C@@](C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(C)C)C2)CCO1 | 10.1016/j.bmcl.2008.12.050 | ||
10119551 | 93783 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 537 | 10 | 5 | 6 | 2.7 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(OC(F)(F)F)ccc2N)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL247622 | 93783 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 537 | 10 | 5 | 6 | 2.7 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(OC(F)(F)F)ccc2N)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
22143196 | 183963 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 509 | 7 | 5 | 6 | 2.0 | CSc1ccc(C(=O)NC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
CHEMBL481790 | 183963 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 509 | 7 | 5 | 6 | 2.0 | CSc1ccc(C(=O)NC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
89823620 | 126337 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 506 | 5 | 1 | 5 | 4.2 | CC[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | ||
CHEMBL3650409 | 126337 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 506 | 5 | 1 | 5 | 4.2 | CC[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | ||
44425243 | 85774 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 610 | 8 | 2 | 7 | 6.2 | Nc1nc(C(CCN2CCC(n3cnc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
CHEMBL229536 | 85774 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 610 | 8 | 2 | 7 | 6.2 | Nc1nc(C(CCN2CCC(n3cnc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
44416041 | 80403 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 530 | 8 | 1 | 2 | 6.8 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC(c2ccc(F)cc2)CC1)C1CC1 | 10.1016/j.bmcl.2006.07.011 | ||
CHEMBL214647 | 80403 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 530 | 8 | 1 | 2 | 6.8 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC(c2ccc(F)cc2)CC1)C1CC1 | 10.1016/j.bmcl.2006.07.011 | ||
22310991 | 19450 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 349 | 4 | 1 | 3 | 4.7 | COc1cccc2c1cc(C(=O)O)n2Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
CHEMBL129881 | 19450 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 349 | 4 | 1 | 3 | 4.7 | COc1cccc2c1cc(C(=O)O)n2Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
44395138 | 123951 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 508 | 8 | 4 | 7 | 2.5 | O=C(CN1CCCN(CCC(O)(c2ccccc2)c2cccc(O)c2)CC1)NNC(=O)c1cccs1 | 10.1016/j.bmcl.2004.08.008 | ||
CHEMBL362889 | 123951 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 508 | 8 | 4 | 7 | 2.5 | O=C(CN1CCCN(CCC(O)(c2ccccc2)c2cccc(O)c2)CC1)NNC(=O)c1cccs1 | 10.1016/j.bmcl.2004.08.008 | ||
70683355 | 73787 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 620 | 11 | 4 | 6 | 5.3 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)N1CC[C@@H](NC(=O)c2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)C1=O | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018542 | 73787 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 620 | 11 | 4 | 6 | 5.3 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)N1CC[C@@H](NC(=O)c2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)C1=O | 10.1016/j.bmcl.2012.03.007 | ||
91754543 | 126340 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 465 | 4 | 1 | 4 | 4.1 | O=C(N1CCN(c2ccc(C(F)(F)F)cc2)CC1)C12CCCC1CC(NC1CCOCC1)C2 | nan | ||
CHEMBL3650412 | 126340 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 465 | 4 | 1 | 4 | 4.1 | O=C(N1CCN(c2ccc(C(F)(F)F)cc2)CC1)C12CCCC1CC(NC1CCOCC1)C2 | nan | ||
46241121 | 83543 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 466 | 6 | 3 | 6 | 2.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3ncco3)CC2)C1 | 10.1021/ml300260s | ||
CHEMBL2204254 | 83543 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 466 | 6 | 3 | 6 | 2.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3ncco3)CC2)C1 | 10.1021/ml300260s | ||
49863167 | 15173 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 561 | 9 | 2 | 6 | 5.6 | COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
CHEMBL1210603 | 15173 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 561 | 9 | 2 | 6 | 5.6 | COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
46886059 | 7950 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 565 | 7 | 1 | 5 | 4.0 | CN(C)[C@@H]1CC[C@H](N2CCC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2010.03.035 | ||
CHEMBL1090561 | 7950 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 565 | 7 | 1 | 5 | 4.0 | CN(C)[C@@H]1CC[C@H](N2CCC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2010.03.035 | ||
127025446 | 137255 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 298 | 2 | 1 | 1 | 4.4 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2cccc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
CHEMBL3752224 | 137255 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 298 | 2 | 1 | 1 | 4.4 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2cccc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
44439156 | 91946 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 575 | 10 | 2 | 6 | 5.9 | COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
CHEMBL241498 | 91946 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 575 | 10 | 2 | 6 | 5.9 | COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
44415903 | 81121 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 512 | 8 | 1 | 2 | 6.6 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC(c2ccccc2)CC1)C1CC1 | 10.1016/j.bmcl.2006.07.011 | ||
CHEMBL215759 | 81121 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 512 | 8 | 1 | 2 | 6.6 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC(c2ccccc2)CC1)C1CC1 | 10.1016/j.bmcl.2006.07.011 | ||
46842084 | 7883 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 544 | 8 | 2 | 4 | 3.9 | Cc1ccccc1C(=O)N1CCC(CCN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1 | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL1090206 | 7883 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 544 | 8 | 2 | 4 | 3.9 | Cc1ccccc1C(=O)N1CCC(CCN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1 | 10.1016/j.bmcl.2010.02.072 | ||
72946387 | 105199 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 535 | 4 | 2 | 7 | 1.3 | COC1COCCC1N[C@@H]1C[C@H]2CN(/C(N)=N\C#N)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
CHEMBL3115100 | 105199 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 535 | 4 | 2 | 7 | 1.3 | COC1COCCC1N[C@@H]1C[C@H]2CN(/C(N)=N\C#N)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
54756038 | 65748 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 468 | 7 | 2 | 7 | 3.2 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3noc4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834720 | 65748 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 468 | 7 | 2 | 7 | 3.2 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3noc4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
56683044 | 65772 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 521 | 6 | 3 | 8 | 3.4 | NC(=O)n1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4nccs4)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834795 | 65772 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 521 | 6 | 3 | 8 | 3.4 | NC(=O)n1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4nccs4)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
56659196 | 65773 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 522 | 8 | 3 | 8 | 3.4 | O=C(CNc1nn(CCO)c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3nccs3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834796 | 65773 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 522 | 8 | 3 | 8 | 3.4 | O=C(CNc1nn(CCO)c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3nccs3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
71768830 | 111078 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 485 | 4 | 1 | 6 | 3.0 | COC1COCCC1N[C@@H]1C[C@H]2SCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
CHEMBL3263261 | 111078 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 485 | 4 | 1 | 6 | 3.0 | COC1COCCC1N[C@@H]1C[C@H]2SCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
54582216 | 62535 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 500 | 6 | 1 | 8 | 2.1 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3nncc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1782571 | 62535 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 500 | 6 | 1 | 8 | 2.1 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3nncc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
44573486 | 193134 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 494 | 6 | 2 | 3 | 5.7 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCCOCC2)C1 | 10.1007/s00044-010-9501-4 | ||
CHEMBL523054 | 193134 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 494 | 6 | 2 | 3 | 5.7 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCCOCC2)C1 | 10.1007/s00044-010-9501-4 | ||
11721085 | 166835 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 565 | 13 | 2 | 5 | 7.4 | CCN(CC)CCCC(C)NC(=O)CCNc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
CHEMBL428559 | 166835 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 565 | 13 | 2 | 5 | 7.4 | CCN(CC)CCCC(C)NC(=O)CCNc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
71519055 | 86369 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 476 | 4 | 1 | 4 | 3.7 | COC1COCCC1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ccc(Br)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
CHEMBL2314053 | 86369 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 476 | 4 | 1 | 4 | 3.7 | COC1COCCC1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ccc(Br)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
56668306 | 65687 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 488 | 6 | 2 | 4 | 5.2 | O=C(CSc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834580 | 65687 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 488 | 6 | 2 | 4 | 5.2 | O=C(CSc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
44441396 | 93554 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 419 | 5 | 1 | 1 | 6.5 | C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCCCCC1 | 10.1016/j.bmcl.2007.01.115 | ||
CHEMBL246522 | 93554 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 419 | 5 | 1 | 1 | 6.5 | C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCCCCC1 | 10.1016/j.bmcl.2007.01.115 | ||
57402254 | 70483 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 553 | 9 | 2 | 5 | 3.9 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
CHEMBL1946835 | 70483 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 553 | 9 | 2 | 5 | 3.9 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
44444109 | 94087 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 504 | 6 | 0 | 2 | 7.2 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(CCN2CCC(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.07.065 | ||
CHEMBL249208 | 94087 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 504 | 6 | 0 | 2 | 7.2 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(CCN2CCC(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.07.065 | ||
44443996 | 154978 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 464 | 8 | 1 | 2 | 6.4 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCN1CCC(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.07.065 | ||
CHEMBL401387 | 154978 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 464 | 8 | 1 | 2 | 6.4 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCN1CCC(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.07.065 | ||
53322813 | 58452 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 547 | 7 | 1 | 7 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](Cc2cccnc2)(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 | 10.1016/j.bmcl.2011.01.015 | ||
CHEMBL1683085 | 58452 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 547 | 7 | 1 | 7 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](Cc2cccnc2)(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 | 10.1016/j.bmcl.2011.01.015 | ||
127028588 | 137409 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 250 | 2 | 1 | 1 | 3.8 | C[C@@]1(c2cccc(Cl)c2)CCCC=C1C(=O)O | 10.1016/j.bmcl.2015.11.051 | ||
CHEMBL3753509 | 137409 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 250 | 2 | 1 | 1 | 3.8 | C[C@@]1(c2cccc(Cl)c2)CCCC=C1C(=O)O | 10.1016/j.bmcl.2015.11.051 | ||
44415996 | 80014 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 586 | 8 | 1 | 2 | 7.7 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(C=Cc3ccccc32)CC1)Cc1ccccc1 | 10.1016/j.bmcl.2006.07.011 | ||
CHEMBL212939 | 80014 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 586 | 8 | 1 | 2 | 7.7 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(C=Cc3ccccc32)CC1)Cc1ccccc1 | 10.1016/j.bmcl.2006.07.011 | ||
24794656 | 180852 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 450 | 4 | 3 | 6 | 2.0 | CC(=O)N[C@@H]1C[C@H](N)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | 10.1021/acsmedchemlett.1c00082 | ||
CHEMBL4757452 | 180852 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 450 | 4 | 3 | 6 | 2.0 | CC(=O)N[C@@H]1C[C@H](N)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | 10.1021/acsmedchemlett.1c00082 | ||
86767121 | 129378 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 438 | 3 | 1 | 4 | 3.3 | O=C(N1CCc2ccc(C(F)(F)F)cc2C1)C12CCOC1CC(NC1CCOCC1)C2 | nan | ||
CHEMBL3671254 | 129378 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 438 | 3 | 1 | 4 | 3.3 | O=C(N1CCc2ccc(C(F)(F)F)cc2C1)C12CCOC1CC(NC1CCOCC1)C2 | nan | ||
162656188 | 180891 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 429 | 5 | 3 | 5 | 1.4 | CN[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(C)(C)C)n3)C2=O)[C@H](NC(C)=O)C1 | 10.1021/acsmedchemlett.1c00082 | ||
CHEMBL4757857 | 180891 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 429 | 5 | 3 | 5 | 1.4 | CN[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(C)(C)C)n3)C2=O)[C@H](NC(C)=O)C1 | 10.1021/acsmedchemlett.1c00082 | ||
44447766 | 166854 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 558 | 6 | 1 | 2 | 7.6 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3ccc(F)cc3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
CHEMBL428594 | 166854 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 558 | 6 | 1 | 2 | 7.6 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3ccc(F)cc3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
50992246 | 58441 | 2 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
CHEMBL1683074 | 58441 | 2 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
50992246 | 58441 | 2 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.052 | ||
CHEMBL1683074 | 58441 | 2 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.052 | ||
25110788 | 85931 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 627 | 9 | 3 | 5 | 6.6 | CNC(=O)Nc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
CHEMBL230166 | 85931 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 627 | 9 | 3 | 5 | 6.6 | CNC(=O)Nc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
44425252 | 142232 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 652 | 9 | 2 | 7 | 6.6 | CC(=O)Nc1nc(C(CCN2CCC(n3cnc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
CHEMBL388486 | 142232 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 652 | 9 | 2 | 7 | 6.6 | CC(=O)Nc1nc(C(CCN2CCC(n3cnc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
44425255 | 168860 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 650 | 8 | 2 | 5 | 7.2 | CC(=O)Nc1nc(C(CCN2CCC3(C=Cc4ccccc43)[C@@H](C)C2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
CHEMBL438304 | 168860 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 650 | 8 | 2 | 5 | 7.2 | CC(=O)Nc1nc(C(CCN2CCC3(C=Cc4ccccc43)[C@@H](C)C2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
50992246 | 58441 | 2 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1683074 | 58441 | 2 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
44593563 | 193086 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 508 | 7 | 2 | 3 | 5.9 | CCC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | ||
CHEMBL522688 | 193086 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 508 | 7 | 2 | 3 | 5.9 | CCC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | ||
68769802 | 121214 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 493 | 7 | 1 | 6 | 4.2 | COC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | 10.1021/ml500505q | ||
CHEMBL3577949 | 121214 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 493 | 7 | 1 | 6 | 4.2 | COC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | 10.1021/ml500505q | ||
11433008 | 77608 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 564 | 8 | 2 | 5 | 4.9 | Cc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)cc1 | 10.1016/j.bmcl.2012.08.002 | ||
CHEMBL2088378 | 77608 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 564 | 8 | 2 | 5 | 4.9 | Cc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)cc1 | 10.1016/j.bmcl.2012.08.002 | ||
44570781 | 192541 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 515 | 8 | 4 | 4 | 3.7 | CN(C)C1CCC(NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(NCc2ccc3[nH]ccc3c2)C1 | 10.1016/j.bmcl.2008.12.062 | ||
CHEMBL521275 | 192541 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 515 | 8 | 4 | 4 | 3.7 | CN(C)C1CCC(NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(NCc2ccc3[nH]ccc3c2)C1 | 10.1016/j.bmcl.2008.12.062 | ||
44425645 | 86053 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 528 | 5 | 1 | 2 | 7.0 | CC(C)[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
CHEMBL230933 | 86053 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 528 | 5 | 1 | 2 | 7.0 | CC(C)[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
53318853 | 58426 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 481 | 5 | 1 | 4 | 4.6 | CC(C)[C@]1(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC[C@@H](N[C@H]2CCOC[C@H]2C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
CHEMBL1683059 | 58426 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 481 | 5 | 1 | 4 | 4.6 | CC(C)[C@]1(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC[C@@H](N[C@H]2CCOC[C@H]2C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
53317041 | 58659 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 465 | 5 | 1 | 5 | 3.3 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)OC2CCCC2)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2011.01.052 | ||
CHEMBL1684712 | 58659 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 465 | 5 | 1 | 5 | 3.3 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)OC2CCCC2)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2011.01.052 | ||
53325460 | 58464 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 538 | 6 | 1 | 6 | 3.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](CC(F)(F)F)(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 | 10.1016/j.bmcl.2011.01.015 | ||
CHEMBL1683190 | 58464 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 538 | 6 | 1 | 6 | 3.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](CC(F)(F)F)(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 | 10.1016/j.bmcl.2011.01.015 | ||
57395217 | 70980 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 490 | 6 | 3 | 5 | 2.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3ccccn3)CC2)C1 | 10.1021/ml200030q | ||
CHEMBL1951768 | 70980 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 490 | 6 | 3 | 5 | 2.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3ccccn3)CC2)C1 | 10.1021/ml200030q | ||
57391767 | 70990 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 534 | 8 | 3 | 6 | 3.3 | CCOc1ccc([C@]2(O)CC[C@H](N3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml200030q | ||
CHEMBL1951779 | 70990 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 534 | 8 | 3 | 6 | 3.3 | CCOc1ccc([C@]2(O)CC[C@H](N3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml200030q | ||
53317028 | 58653 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 493 | 5 | 1 | 5 | 3.3 | CC(OC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C(C)C)CC[C@@H](NC2CCOCC2F)C1)C(F)(F)F | 10.1016/j.bmcl.2011.01.052 | ||
CHEMBL1684706 | 58653 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 493 | 5 | 1 | 5 | 3.3 | CC(OC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C(C)C)CC[C@@H](NC2CCOCC2F)C1)C(F)(F)F | 10.1016/j.bmcl.2011.01.052 | ||
25022597 | 95310 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 448 | 6 | 3 | 4 | 3.0 | Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)c(C)c1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL256629 | 95310 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 448 | 6 | 3 | 4 | 3.0 | Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)c(C)c1 | 10.1016/j.bmcl.2008.02.015 | ||
66768640 | 121200 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 515 | 13 | 6 | 5 | 2.6 | CCC[C@H](O)[C@H](CNCC1CC1)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C | 10.1021/ml500505q | ||
CHEMBL3577934 | 121200 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 515 | 13 | 6 | 5 | 2.6 | CCC[C@H](O)[C@H](CNCC1CC1)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C | 10.1021/ml500505q | ||
16066354 | 121209 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 567 | 9 | 3 | 4 | 5.2 | CCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)C1=O | 10.1021/ml500505q | ||
CHEMBL3577943 | 121209 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 567 | 9 | 3 | 4 | 5.2 | CCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)C1=O | 10.1021/ml500505q | ||
44425644 | 86052 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 514 | 5 | 1 | 2 | 6.7 | CCC1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
CHEMBL230932 | 86052 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 514 | 5 | 1 | 2 | 6.7 | CCC1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
11353855 | 74520 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 595 | 6 | 2 | 8 | 4.2 | O=C(C1CCN(c2cc(C(F)(F)F)ccn2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | ||
CHEMBL2029568 | 74520 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 595 | 6 | 2 | 8 | 4.2 | O=C(C1CCN(c2cc(C(F)(F)F)ccn2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | ||
70689915 | 74524 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 611 | 6 | 3 | 9 | 3.3 | O=C(N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1)C1(O)CCN(c2cc(C(F)(F)F)ccn2)CC1 | 10.1021/ml200199c | ||
CHEMBL2029572 | 74524 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 611 | 6 | 3 | 9 | 3.3 | O=C(N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1)C1(O)CCN(c2cc(C(F)(F)F)ccn2)CC1 | 10.1021/ml200199c | ||
10117480 | 73687 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 494 | 11 | 5 | 5 | 3.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1N | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018380 | 73687 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 494 | 11 | 5 | 5 | 3.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1N | 10.1016/j.bmcl.2012.03.007 | ||
53325460 | 58464 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 538 | 6 | 1 | 6 | 3.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](CC(F)(F)F)(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 | 10.1016/j.bmcl.2011.01.015 | ||
CHEMBL1683190 | 58464 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 538 | 6 | 1 | 6 | 3.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](CC(F)(F)F)(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 | 10.1016/j.bmcl.2011.01.015 | ||
22143155 | 188038 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 537 | 10 | 4 | 6 | 3.5 | CCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C1 | 10.1016/j.bmcl.2008.07.123 | ||
CHEMBL497788 | 188038 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 537 | 10 | 4 | 6 | 3.5 | CCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C1 | 10.1016/j.bmcl.2008.07.123 | ||
57656833 | 75200 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 427 | 3 | 2 | 4 | 2.4 | CC(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036782 | 75200 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 427 | 3 | 2 | 4 | 2.4 | CC(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
46886538 | 8286 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 647 | 8 | 1 | 5 | 5.4 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2010.03.035 | ||
CHEMBL1092748 | 8286 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 647 | 8 | 1 | 5 | 5.4 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2010.03.035 | ||
44425653 | 86200 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 546 | 6 | 1 | 3 | 6.7 | CSC[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
CHEMBL231246 | 86200 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 546 | 6 | 1 | 3 | 6.7 | CSC[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
44425272 | 86006 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 626 | 10 | 2 | 5 | 7.2 | CCC(=O)Nc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
CHEMBL230684 | 86006 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 626 | 10 | 2 | 5 | 7.2 | CCC(=O)Nc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
44425290 | 153507 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 628 | 9 | 2 | 6 | 7.0 | COC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
CHEMBL397997 | 153507 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 628 | 9 | 2 | 6 | 7.0 | COC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
53323653 | 58642 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 475 | 5 | 1 | 5 | 3.3 | CC(OC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C(C)C)CC[C@@H](NC2CCOCC2)C1)C(F)(F)F | 10.1016/j.bmcl.2011.01.052 | ||
CHEMBL1684694 | 58642 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 475 | 5 | 1 | 5 | 3.3 | CC(OC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C(C)C)CC[C@@H](NC2CCOCC2)C1)C(F)(F)F | 10.1016/j.bmcl.2011.01.052 | ||
44425644 | 86052 | 0 | None | - | 0 | Mouse | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 514 | 5 | 1 | 2 | 6.7 | CCC1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
CHEMBL230932 | 86052 | 0 | None | - | 0 | Mouse | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 514 | 5 | 1 | 2 | 6.7 | CCC1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
10281316 | 73693 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 565 | 13 | 6 | 5 | 3.6 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NCC | 10.1021/jm300682j | ||
CHEMBL2018386 | 73693 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 565 | 13 | 6 | 5 | 3.6 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NCC | 10.1021/jm300682j | ||
10281316 | 73693 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 565 | 13 | 6 | 5 | 3.6 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NCC | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018386 | 73693 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 565 | 13 | 6 | 5 | 3.6 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NCC | 10.1016/j.bmcl.2012.03.007 | ||
11353843 | 74518 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 594 | 6 | 2 | 7 | 4.8 | O=C(C1CCN(c2cccc(C(F)(F)F)c2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | ||
CHEMBL2029566 | 74518 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 594 | 6 | 2 | 7 | 4.8 | O=C(C1CCN(c2cccc(C(F)(F)F)c2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | ||
24801690 | 98013 | 25 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 593 | 9 | 5 | 5 | 4.5 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)cc1 | 10.1021/jm701488f | ||
CHEMBL273083 | 98013 | 25 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 593 | 9 | 5 | 5 | 4.5 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)cc1 | 10.1021/jm701488f | ||
11527661 | 2008 | 30 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 520 | 7 | 3 | 6 | 2.9 | COc1ccc(cn1)C1(O)CCC(CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200030q | ||
9045 | 2008 | 30 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 520 | 7 | 3 | 6 | 2.9 | COc1ccc(cn1)C1(O)CCC(CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200030q | ||
CHEMBL1963131 | 2008 | 30 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 520 | 7 | 3 | 6 | 2.9 | COc1ccc(cn1)C1(O)CCC(CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200030q | ||
10218403 | 187886 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 557 | 9 | 3 | 6 | 3.5 | CN[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccc(SC)cc2)C1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL496630 | 187886 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 557 | 9 | 3 | 6 | 3.5 | CN[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccc(SC)cc2)C1 | 10.1016/j.bmcl.2009.05.041 | ||
11527661 | 2008 | 30 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 520 | 7 | 3 | 6 | 2.9 | COc1ccc(cn1)C1(O)CCC(CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
9045 | 2008 | 30 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 520 | 7 | 3 | 6 | 2.9 | COc1ccc(cn1)C1(O)CCC(CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
CHEMBL1963131 | 2008 | 30 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 520 | 7 | 3 | 6 | 2.9 | COc1ccc(cn1)C1(O)CCC(CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
70683350 | 73697 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 607 | 12 | 5 | 6 | 3.4 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)N1CCOCC1 | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018390 | 73697 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 607 | 12 | 5 | 6 | 3.4 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)N1CCOCC1 | 10.1016/j.bmcl.2012.03.007 | ||
11179439 | 73707 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 494 | 11 | 5 | 5 | 3.7 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(N)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018400 | 73707 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 494 | 11 | 5 | 5 | 3.7 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(N)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
44583280 | 172425 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 640 | 9 | 3 | 6 | 4.9 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCCC2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL447937 | 172425 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 640 | 9 | 3 | 6 | 4.9 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCCC2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
44570714 | 189770 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 565 | 9 | 5 | 6 | 3.6 | CSc1ccc(C(=O)NC2CCC(NC(C)C)CC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
CHEMBL516224 | 189770 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 565 | 9 | 5 | 6 | 3.6 | CSc1ccc(C(=O)NC2CCC(NC(C)C)CC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
22143112 | 188421 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 594 | 11 | 5 | 6 | 3.7 | CCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC)C1 | 10.1016/j.bmcl.2008.07.123 | ||
CHEMBL502513 | 188421 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 594 | 11 | 5 | 6 | 3.7 | CCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC)C1 | 10.1016/j.bmcl.2008.07.123 | ||
50992246 | 58441 | 2 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
CHEMBL1683074 | 58441 | 2 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
24794585 | 179500 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 478 | 5 | 2 | 6 | 2.6 | CC(=O)N[C@@H]1C[C@H](N(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | 10.1021/acsmedchemlett.1c00082 | ||
CHEMBL4741305 | 179500 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 478 | 5 | 2 | 6 | 2.6 | CC(=O)N[C@@H]1C[C@H](N(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | 10.1021/acsmedchemlett.1c00082 | ||
44425647 | 86072 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 542 | 6 | 1 | 2 | 7.4 | CC(C)C[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
CHEMBL231039 | 86072 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 542 | 6 | 1 | 2 | 7.4 | CC(C)C[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
44425273 | 86025 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 638 | 10 | 2 | 5 | 7.2 | O=C(Nc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1)C1CC1 | 10.1016/j.bmcl.2006.10.059 | ||
CHEMBL230794 | 86025 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 638 | 10 | 2 | 5 | 7.2 | O=C(Nc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1)C1CC1 | 10.1016/j.bmcl.2006.10.059 | ||
162666730 | 182250 | 1 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
CHEMBL4783861 | 182250 | 1 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
44449031 | 95669 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 555 | 7 | 2 | 4 | 6.0 | COc1ccc2c(C3CCN(C(CO)C4CCN(C(=O)/C=C/c5ccc(Cl)c(Cl)c5)CC4)CC3)c[nH]c2c1 | 10.1016/j.bmcl.2008.05.010 | ||
CHEMBL258204 | 95669 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 555 | 7 | 2 | 4 | 6.0 | COc1ccc2c(C3CCN(C(CO)C4CCN(C(=O)/C=C/c5ccc(Cl)c(Cl)c5)CC4)CC3)c[nH]c2c1 | 10.1016/j.bmcl.2008.05.010 | ||
10323427 | 79731 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 493 | 8 | 2 | 4 | 5.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccsc1 | 10.1016/j.bmcl.2006.04.045 | ||
CHEMBL211775 | 79731 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 493 | 8 | 2 | 4 | 5.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccsc1 | 10.1016/j.bmcl.2006.04.045 | ||
72947411 | 105230 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 598 | 6 | 1 | 6 | 3.7 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)/C=C/c3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
CHEMBL3115272 | 105230 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 598 | 6 | 1 | 6 | 3.7 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)/C=C/c3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
11721085 | 166835 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 565 | 13 | 2 | 5 | 7.4 | CCN(CC)CCCC(C)NC(=O)CCNc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
CHEMBL428559 | 166835 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 565 | 13 | 2 | 5 | 7.4 | CCN(CC)CCCC(C)NC(=O)CCNc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
56671792 | 65764 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 472 | 6 | 3 | 5 | 3.9 | O=C(CNc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3cccnc3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834787 | 65764 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 472 | 6 | 3 | 5 | 3.9 | O=C(CNc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3cccnc3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
11640044 | 148223 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 405 | 5 | 1 | 1 | 6.2 | C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCCCC1 | 10.1016/j.bmcl.2007.01.115 | ||
CHEMBL393631 | 148223 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 405 | 5 | 1 | 1 | 6.2 | C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCCCC1 | 10.1016/j.bmcl.2007.01.115 | ||
44425308 | 153682 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 627 | 9 | 3 | 5 | 6.6 | CNC(=O)Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
CHEMBL398150 | 153682 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 627 | 9 | 3 | 5 | 6.6 | CNC(=O)Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
44573486 | 193134 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 494 | 6 | 2 | 3 | 5.7 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCCOCC2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
CHEMBL523054 | 193134 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 494 | 6 | 2 | 3 | 5.7 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCCOCC2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
90656025 | 111093 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 483 | 4 | 0 | 6 | 2.7 | COC1COCCC1N(C)[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
CHEMBL3263280 | 111093 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 483 | 4 | 0 | 6 | 2.7 | COC1COCCC1N(C)[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
76335990 | 105212 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 482 | 4 | 1 | 6 | 2.1 | COC1COCCC1N[C@@H]1C[C@H]2CN(C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
CHEMBL3115113 | 105212 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 482 | 4 | 1 | 6 | 2.1 | COC1COCCC1N[C@@H]1C[C@H]2CN(C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
44453535 | 155150 | 1 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 473 | 6 | 2 | 3 | 4.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2Cl)C1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL402322 | 155150 | 1 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 473 | 6 | 2 | 3 | 4.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2Cl)C1 | 10.1016/j.bmcl.2008.02.015 | ||
25033361 | 154459 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 490 | 5 | 0 | 2 | 6.8 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(CN2CCC(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.07.065 | ||
CHEMBL399045 | 154459 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 490 | 5 | 0 | 2 | 6.8 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(CN2CCC(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.07.065 | ||
25033361 | 154459 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 490 | 5 | 0 | 2 | 6.8 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(CN2CCC(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.07.065 | ||
CHEMBL399045 | 154459 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 490 | 5 | 0 | 2 | 6.8 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(CN2CCC(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.07.065 | ||
44353367 | 117277 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 344 | 3 | 1 | 3 | 4.6 | N#Cc1c(C(=O)O)n(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 | 10.1016/j.bmcl.2003.10.049 | ||
CHEMBL339670 | 117277 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 344 | 3 | 1 | 3 | 4.6 | N#Cc1c(C(=O)O)n(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 | 10.1016/j.bmcl.2003.10.049 | ||
44442542 | 93736 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 464 | 10 | 4 | 4 | 2.2 | Cc1ccc(CNCC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(N)=O)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL247406 | 93736 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 464 | 10 | 4 | 4 | 2.2 | Cc1ccc(CNCC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(N)=O)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
10409097 | 66612 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 406 | 5 | 2 | 5 | 2.4 | O=C(CN1CCCN(Cc2ccc(Cl)cc2)CC1)NNC(=O)c1cccs1 | 10.1016/j.bmcl.2004.08.008 | ||
CHEMBL185282 | 66612 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 406 | 5 | 2 | 5 | 2.4 | O=C(CN1CCCN(Cc2ccc(Cl)cc2)CC1)NNC(=O)c1cccs1 | 10.1016/j.bmcl.2004.08.008 | ||
127027624 | 137363 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 258 | 2 | 1 | 1 | 4.0 | Cc1cc(C)cc([C@]2(C)C[C@@H](C)CC=C2C(=O)O)c1 | 10.1016/j.bmcl.2015.11.051 | ||
CHEMBL3753178 | 137363 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 258 | 2 | 1 | 1 | 4.0 | Cc1cc(C)cc([C@]2(C)C[C@@H](C)CC=C2C(=O)O)c1 | 10.1016/j.bmcl.2015.11.051 | ||
10277182 | 97974 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 475 | 7 | 2 | 3 | 4.6 | Cc1ccc(CN(C)[C@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)c(C)c1 | 10.1021/jm701488f | ||
CHEMBL272860 | 97974 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 475 | 7 | 2 | 3 | 4.6 | Cc1ccc(CN(C)[C@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)c(C)c1 | 10.1021/jm701488f | ||
22394337 | 117064 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 315 | 4 | 1 | 3 | 4.1 | COc1cccc(Cn2c(C(=O)O)cc3cc(Cl)ccc32)c1 | 10.1016/j.bmcl.2003.10.049 | ||
CHEMBL339275 | 117064 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 315 | 4 | 1 | 3 | 4.1 | COc1cccc(Cn2c(C(=O)O)cc3cc(Cl)ccc32)c1 | 10.1016/j.bmcl.2003.10.049 | ||
24801690 | 98013 | 25 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 593 | 9 | 5 | 5 | 4.5 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)cc1 | 10.1021/jm701488f | ||
CHEMBL273083 | 98013 | 25 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 593 | 9 | 5 | 5 | 4.5 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)cc1 | 10.1021/jm701488f | ||
46830336 | 7818 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 567 | 8 | 2 | 5 | 2.4 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3cc(F)ccc3F)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL1089793 | 7818 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 567 | 8 | 2 | 5 | 2.4 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3cc(F)ccc3F)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
11214277 | 74508 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 504 | 6 | 3 | 5 | 3.2 | Cc1ccnc([C@]2(O)CC[C@H](N[C@H]3CCN(C(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)c1 | 10.1021/ml200199c | ||
CHEMBL2029415 | 74508 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 504 | 6 | 3 | 5 | 3.2 | Cc1ccnc([C@]2(O)CC[C@H](N[C@H]3CCN(C(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)c1 | 10.1021/ml200199c | ||
44453268 | 95100 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 462 | 7 | 3 | 4 | 2.8 | CC(=O)Nc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL255585 | 95100 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 462 | 7 | 3 | 4 | 2.8 | CC(=O)Nc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
89823413 | 126307 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 532 | 5 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C#N)ccc2C(F)(F)F)C1 | nan | ||
CHEMBL3650381 | 126307 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 532 | 5 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C#N)ccc2C(F)(F)F)C1 | nan | ||
44453474 | 97843 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 512 | 6 | 3 | 4 | 2.6 | Nc1ccc(I)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL272284 | 97843 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 512 | 6 | 3 | 4 | 2.6 | Nc1ccc(I)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
72946198 | 105207 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 624 | 7 | 1 | 8 | 3.4 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCCC3CCOCC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
CHEMBL3115108 | 105207 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 624 | 7 | 1 | 8 | 3.4 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCCC3CCOCC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
10299408 | 73671 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 479 | 11 | 4 | 4 | 3.5 | CCC[C@@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018363 | 73671 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 479 | 11 | 4 | 4 | 3.5 | CCC[C@@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
46946058 | 65402 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 504 | 7 | 2 | 6 | 2.8 | CN(C)c1ncc([C@H]2CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1016/j.bmcl.2011.06.080 | ||
CHEMBL1829623 | 65402 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 504 | 7 | 2 | 6 | 2.8 | CN(C)c1ncc([C@H]2CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1016/j.bmcl.2011.06.080 | ||
56683121 | 65781 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 479 | 6 | 2 | 7 | 4.2 | O=C(CNc1noc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3cncs3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834853 | 65781 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 479 | 6 | 2 | 7 | 4.2 | O=C(CNc1noc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3cncs3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
56676474 | 65782 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 479 | 6 | 2 | 7 | 4.2 | O=C(CNc1noc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3nccs3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834854 | 65782 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 479 | 6 | 2 | 7 | 4.2 | O=C(CNc1noc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3nccs3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
53322811 | 58444 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 484 | 6 | 1 | 6 | 3.1 | CC[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](N[C@H]2CCOC[C@H]2OC)C1 | 10.1016/j.bmcl.2011.01.015 | ||
CHEMBL1683077 | 58444 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 484 | 6 | 1 | 6 | 3.1 | CC[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](N[C@H]2CCOC[C@H]2OC)C1 | 10.1016/j.bmcl.2011.01.015 | ||
54583112 | 62516 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 513 | 6 | 0 | 7 | 3.1 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)cnn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1782378 | 62516 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 513 | 6 | 0 | 7 | 3.1 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)cnn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
46240380 | 83534 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 519 | 7 | 3 | 6 | 2.5 | CN(C)c1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml300260s | ||
CHEMBL2204245 | 83534 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 519 | 7 | 3 | 6 | 2.5 | CN(C)c1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml300260s | ||
57393531 | 70482 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 539 | 9 | 3 | 5 | 3.6 | CC(C)N[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
CHEMBL1946834 | 70482 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 539 | 9 | 3 | 5 | 3.6 | CC(C)N[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
44442596 | 93443 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 593 | 11 | 5 | 6 | 3.8 | CCOC(=O)Nc1cc(C(=O)NCC(=O)N[C@@H](CNCc2ccc(C)cc2C)C(=O)NC(C)(C)C)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL246098 | 93443 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 593 | 11 | 5 | 6 | 3.8 | CCOC(=O)Nc1cc(C(=O)NCC(=O)N[C@@H](CNCc2ccc(C)cc2C)C(=O)NC(C)(C)C)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | ||
73351183 | 93205 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 453 | 7 | 2 | 3 | 3.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC[C@@H]1CCCN1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2004.08.009 | ||
CHEMBL2448120 | 93205 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 453 | 7 | 2 | 3 | 3.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC[C@@H]1CCCN1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2004.08.009 | ||
44453477 | 155279 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 419 | 6 | 2 | 3 | 3.1 | Cc1cccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)c1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL402988 | 155279 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 419 | 6 | 2 | 3 | 3.1 | Cc1cccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)c1 | 10.1016/j.bmcl.2008.02.015 | ||
44443989 | 94419 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 414 | 8 | 1 | 2 | 5.3 | O=C(/C=C/c1ccc(F)cc1)NCCCCN1CCC(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.07.065 | ||
CHEMBL251217 | 94419 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 414 | 8 | 1 | 2 | 5.3 | O=C(/C=C/c1ccc(F)cc1)NCCCCN1CCC(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.07.065 | ||
46886507 | 8052 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 594 | 9 | 4 | 6 | 5.7 | CSc1ccc(CN[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)cc1 | 10.1016/j.bmcl.2010.03.035 | ||
CHEMBL1091266 | 8052 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 594 | 9 | 4 | 6 | 5.7 | CSc1ccc(CN[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)cc1 | 10.1016/j.bmcl.2010.03.035 | ||
89823576 | 126303 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 542 | 5 | 1 | 6 | 3.9 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ncc(C(F)(F)F)cc2Cl)C1 | nan | ||
CHEMBL3650377 | 126303 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 542 | 5 | 1 | 6 | 3.9 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ncc(C(F)(F)F)cc2Cl)C1 | nan | ||
46842233 | 7686 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 564 | 8 | 2 | 4 | 4.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccc(Cl)cc3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL1088875 | 7686 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 564 | 8 | 2 | 4 | 4.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccc(Cl)cc3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
508741 | 167445 | 1 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 435 | 7 | 2 | 4 | 2.8 | COc1cccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)c1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL429912 | 167445 | 1 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 435 | 7 | 2 | 4 | 2.8 | COc1cccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)c1 | 10.1016/j.bmcl.2008.02.015 | ||
90656017 | 111080 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 468 | 4 | 2 | 6 | 1.9 | COC1COCCC1N[C@@H]1C[C@H]2NCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
CHEMBL3263264 | 111080 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 468 | 4 | 2 | 6 | 1.9 | COC1COCCC1N[C@@H]1C[C@H]2NCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
72946198 | 105207 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 624 | 7 | 1 | 8 | 3.4 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCCC3CCOCC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
CHEMBL3115108 | 105207 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 624 | 7 | 1 | 8 | 3.4 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCCC3CCOCC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
72946199 | 105206 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 610 | 6 | 1 | 8 | 3.0 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCC3CCOCC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
CHEMBL3115107 | 105206 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 610 | 6 | 1 | 8 | 3.0 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCC3CCOCC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
57656854 | 75199 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 425 | 3 | 2 | 4 | 2.1 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C(=O)[C@H]2CN(C3CC3)CCN2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036781 | 75199 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 425 | 3 | 2 | 4 | 2.1 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C(=O)[C@H]2CN(C3CC3)CCN2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
46944854 | 65399 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 490 | 7 | 2 | 5 | 3.4 | COc1cnccc1[C@H]1CC[C@H](N2CC(NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1 | 10.1016/j.bmcl.2011.06.080 | ||
CHEMBL1829620 | 65399 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 490 | 7 | 2 | 5 | 3.4 | COc1cnccc1[C@H]1CC[C@H](N2CC(NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1 | 10.1016/j.bmcl.2011.06.080 | ||
54754724 | 65724 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 479 | 9 | 2 | 6 | 3.6 | C=CCOC[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(C)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834645 | 65724 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 479 | 9 | 2 | 6 | 3.6 | C=CCOC[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(C)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
44425649 | 86100 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 554 | 6 | 1 | 2 | 7.5 | C[C@H]1CN(C2CCC(CC3CCC3)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
CHEMBL231142 | 86100 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 554 | 6 | 1 | 2 | 7.5 | C[C@H]1CN(C2CCC(CC3CCC3)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
44413214 | 77771 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 421 | 4 | 1 | 5 | 4.9 | Cc1ccc2c(c1)C1(CCN(CCc3coc(-c4ccc(F)cc4)n3)CC1)OC(=O)N2 | 10.1016/j.bmcl.2006.04.045 | ||
CHEMBL209263 | 77771 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 421 | 4 | 1 | 5 | 4.9 | Cc1ccc2c(c1)C1(CCN(CCc3coc(-c4ccc(F)cc4)n3)CC1)OC(=O)N2 | 10.1016/j.bmcl.2006.04.045 | ||
53320349 | 58639 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 417 | 5 | 1 | 4 | 2.6 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CCC2)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.052 | ||
CHEMBL1684690 | 58639 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 417 | 5 | 1 | 4 | 2.6 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CCC2)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.052 | ||
44570717 | 183808 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 544 | 8 | 3 | 4 | 4.2 | CN(C)C1CCC(NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(NCc2cccc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2008.12.062 | ||
CHEMBL480620 | 183808 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 544 | 8 | 3 | 4 | 4.2 | CN(C)C1CCC(NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(NCc2cccc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2008.12.062 | ||
44425256 | 86024 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 631 | 9 | 2 | 6 | 5.9 | CC(=O)Nc1nc(C(CCN2CCN(c3ccc(F)cc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
CHEMBL230791 | 86024 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 631 | 9 | 2 | 6 | 5.9 | CC(=O)Nc1nc(C(CCN2CCN(c3ccc(F)cc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
89823552 | 126277 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 509 | 5 | 1 | 7 | 2.6 | CO[C@@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)cnn2)C1 | nan | ||
CHEMBL3650351 | 126277 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 509 | 5 | 1 | 7 | 2.6 | CO[C@@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)cnn2)C1 | nan | ||
76335990 | 105212 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 482 | 4 | 1 | 6 | 2.1 | COC1COCCC1N[C@@H]1C[C@H]2CN(C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
CHEMBL3115113 | 105212 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 482 | 4 | 1 | 6 | 2.1 | COC1COCCC1N[C@@H]1C[C@H]2CN(C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
57344229 | 130615 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 542 | 6 | 4 | 3 | 6.5 | O=C(O)C(N[C@H]1CC[C@@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 | nan | ||
CHEMBL3681887 | 130615 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 542 | 6 | 4 | 3 | 6.5 | O=C(O)C(N[C@H]1CC[C@@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 | nan | ||
10137967 | 153924 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 437 | 9 | 4 | 4 | 2.3 | Cc1ccc(CNC[C@@H](CO)NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL398354 | 153924 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 437 | 9 | 4 | 4 | 2.3 | Cc1ccc(CNC[C@@H](CO)NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | ||
10137967 | 153924 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 437 | 9 | 4 | 4 | 2.3 | Cc1ccc(CNC[C@@H](CO)NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL398354 | 153924 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 437 | 9 | 4 | 4 | 2.3 | Cc1ccc(CNC[C@@H](CO)NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
44444099 | 154384 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 486 | 6 | 0 | 3 | 6.1 | COc1ccc(C2CCN(CC3CCN(C(=O)/C=C/c4ccc(Cl)c(Cl)c4)CC3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | ||
CHEMBL398844 | 154384 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 486 | 6 | 0 | 3 | 6.1 | COc1ccc(C2CCN(CC3CCN(C(=O)/C=C/c4ccc(Cl)c(Cl)c4)CC3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | ||
11844329 | 80011 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 592 | 7 | 1 | 2 | 7.6 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC2(CCc3ccccc32)CC1)c1ccc(F)cc1 | 10.1021/jm060439n | ||
CHEMBL212928 | 80011 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 592 | 7 | 1 | 2 | 7.6 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC2(CCc3ccccc32)CC1)c1ccc(F)cc1 | 10.1021/jm060439n | ||
23656584 | 89892 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 541 | 7 | 2 | 3 | 6.0 | O=C(O)C(C1CCN(C(=O)CCc2ccc(Cl)c(Cl)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
CHEMBL237966 | 89892 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 541 | 7 | 2 | 3 | 6.0 | O=C(O)C(C1CCN(C(=O)CCc2ccc(Cl)c(Cl)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
44453327 | 95066 | 25 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 439 | 6 | 2 | 3 | 3.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL255408 | 95066 | 25 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 439 | 6 | 2 | 3 | 3.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
42632840 | 168687 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 364 | 5 | 1 | 3 | 3.6 | C[N+](C)(Cc1ccc(NC(=O)c2cccc(C#N)c2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
CHEMBL436822 | 168687 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 364 | 5 | 1 | 3 | 3.6 | C[N+](C)(Cc1ccc(NC(=O)c2cccc(C#N)c2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
127025730 | 137297 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 258 | 2 | 1 | 1 | 4.0 | Cc1ccc([C@]2(C)C[C@@H](C)CC=C2C(=O)O)cc1C | 10.1016/j.bmcl.2015.11.051 | ||
CHEMBL3752640 | 137297 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 258 | 2 | 1 | 1 | 4.0 | Cc1ccc([C@]2(C)C[C@@H](C)CC=C2C(=O)O)cc1C | 10.1016/j.bmcl.2015.11.051 | ||
89823462 | 126332 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 463 | 4 | 1 | 6 | 2.5 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)C1 | nan | ||
CHEMBL3650404 | 126332 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 463 | 4 | 1 | 6 | 2.5 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)C1 | nan | ||
72947411 | 105230 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 598 | 6 | 1 | 6 | 3.7 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)/C=C/c3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
CHEMBL3115272 | 105230 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 598 | 6 | 1 | 6 | 3.7 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)/C=C/c3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
72946381 | 105209 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 609 | 7 | 1 | 8 | 2.7 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCCN3CCCC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
CHEMBL3115110 | 105209 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 609 | 7 | 1 | 8 | 2.7 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCCN3CCCC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
69285563 | 121202 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 443 | 8 | 2 | 4 | 3.1 | COC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | ||
CHEMBL3577936 | 121202 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 443 | 8 | 2 | 4 | 3.1 | COC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | ||
67774071 | 130630 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 521 | 7 | 3 | 4 | 4.3 | NC(=O)C(NC1CCC(c2c[nH]c3ncccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | nan | ||
CHEMBL3681901 | 130630 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 521 | 7 | 3 | 4 | 4.3 | NC(=O)C(NC1CCC(c2c[nH]c3ncccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | nan | ||
54754844 | 65716 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 434 | 5 | 2 | 6 | 2.9 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](C#N)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834638 | 65716 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 434 | 5 | 2 | 6 | 2.9 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](C#N)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
71768831 | 111088 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 499 | 5 | 1 | 8 | 1.5 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CCN(c3nccc(C(F)(F)F)n3)CC2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
CHEMBL3263273 | 111088 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 499 | 5 | 1 | 8 | 1.5 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CCN(c3nccc(C(F)(F)F)n3)CC2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
122181238 | 121827 | 0 | None | - | 0 | Mouse | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 554 | 7 | 1 | 3 | 6.3 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(CC1)OCCc1ccccc12)C1CC1 | 10.1016/j.bmc.2015.02.019 | ||
CHEMBL3589952 | 121827 | 0 | None | - | 0 | Mouse | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 554 | 7 | 1 | 3 | 6.3 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(CC1)OCCc1ccccc12)C1CC1 | 10.1016/j.bmc.2015.02.019 | ||
23655673 | 146630 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 539 | 6 | 1 | 4 | 5.3 | COC(=O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
CHEMBL392366 | 146630 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 539 | 6 | 1 | 4 | 5.3 | COC(=O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
71518405 | 86371 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 423 | 5 | 1 | 3 | 4.7 | CCC(CC)N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
CHEMBL2314055 | 86371 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 423 | 5 | 1 | 3 | 4.7 | CCC(CC)N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
23655673 | 146630 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 539 | 6 | 1 | 4 | 5.3 | COC(=O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
CHEMBL392366 | 146630 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 539 | 6 | 1 | 4 | 5.3 | COC(=O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
44395169 | 66127 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 476 | 9 | 3 | 5 | 3.7 | Cc1csc(C(=O)NNC(=O)CNC2CCN(CCC(c3ccccc3)c3ccccc3)C2)c1 | 10.1016/j.bmcl.2004.08.009 | ||
CHEMBL184240 | 66127 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 476 | 9 | 3 | 5 | 3.7 | Cc1csc(C(=O)NNC(=O)CNC2CCN(CCC(c3ccccc3)c3ccccc3)C2)c1 | 10.1016/j.bmcl.2004.08.009 | ||
11690536 | 121196 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 431 | 12 | 4 | 4 | 2.7 | CCC[C@H](O)[C@H](CNCCC(C)C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | ||
CHEMBL3577930 | 121196 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 431 | 12 | 4 | 4 | 2.7 | CCC[C@H](O)[C@H](CNCCC(C)C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | ||
71519224 | 86370 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 466 | 4 | 1 | 4 | 3.9 | COC1COCCC1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
CHEMBL2314054 | 86370 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 466 | 4 | 1 | 4 | 3.9 | COC1COCCC1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
57400331 | 70497 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 551 | 9 | 3 | 5 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CC[C@@H](NC2CCC2)[C@@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2011.12.057 | ||
CHEMBL1947044 | 70497 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 551 | 9 | 3 | 5 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CC[C@@H](NC2CCC2)[C@@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2011.12.057 | ||
57403811 | 70312 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 651 | 10 | 3 | 6 | 4.1 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCC2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
CHEMBL1944779 | 70312 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 651 | 10 | 3 | 6 | 4.1 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCC2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
53326703 | 58449 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 514 | 8 | 1 | 7 | 2.7 | CCOC[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](N[C@H]2CCOC[C@H]2OC)C1 | 10.1016/j.bmcl.2011.01.015 | ||
CHEMBL1683082 | 58449 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 514 | 8 | 1 | 7 | 2.7 | CCOC[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](N[C@H]2CCOC[C@H]2OC)C1 | 10.1016/j.bmcl.2011.01.015 | ||
89823551 | 126286 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 525 | 5 | 1 | 5 | 4.0 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(F)c(C(F)(F)F)c2)C1 | nan | ||
CHEMBL3650360 | 126286 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 525 | 5 | 1 | 5 | 4.0 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(F)c(C(F)(F)F)c2)C1 | nan | ||
11215504 | 73773 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 594 | 12 | 5 | 6 | 5.4 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(NC(=O)OC(C)(C)C)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018527 | 73773 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 594 | 12 | 5 | 6 | 5.4 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(NC(=O)OC(C)(C)C)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
57398590 | 70308 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 565 | 8 | 2 | 5 | 4.0 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CC[C@@H](N2CCCCC2)[C@@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2011.12.057 | ||
CHEMBL1944775 | 70308 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 565 | 8 | 2 | 5 | 4.0 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CC[C@@H](N2CCCCC2)[C@@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2011.12.057 | ||
71768862 | 111090 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 511 | 5 | 1 | 8 | 1.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CC3CC2CN3c2ccnc(C(F)(F)F)n2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
CHEMBL3263275 | 111090 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 511 | 5 | 1 | 8 | 1.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CC3CC2CN3c2ccnc(C(F)(F)F)n2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
22310924 | 20136 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 353 | 3 | 1 | 2 | 5.3 | O=C(O)c1cc2cccc(Cl)c2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
CHEMBL130467 | 20136 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 353 | 3 | 1 | 2 | 5.3 | O=C(O)c1cc2cccc(Cl)c2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
22311000 | 20314 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 353 | 3 | 1 | 2 | 5.3 | O=C(O)c1cc2ccc(Cl)cc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
CHEMBL130608 | 20314 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 353 | 3 | 1 | 2 | 5.3 | O=C(O)c1cc2ccc(Cl)cc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
44444006 | 94009 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 446 | 9 | 1 | 3 | 4.9 | COc1ccc(C2CCN(CCCCNC(=O)/C=C/c3cc(F)c(F)c(F)c3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | ||
CHEMBL248829 | 94009 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 446 | 9 | 1 | 3 | 4.9 | COc1ccc(C2CCN(CCCCNC(=O)/C=C/c3cc(F)c(F)c(F)c3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | ||
23656432 | 154377 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 549 | 6 | 1 | 5 | 5.2 | CC(=O)n1cc(C2CCN(C(C(=O)O)C3CCN(C(=O)/C=C/c4cc(F)cc(F)c4)CC3)CC2)c2ccccc21 | 10.1021/jm070902b | ||
CHEMBL398796 | 154377 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 549 | 6 | 1 | 5 | 5.2 | CC(=O)n1cc(C2CCN(C(C(=O)O)C3CCN(C(=O)/C=C/c4cc(F)cc(F)c4)CC3)CC2)c2ccccc21 | 10.1021/jm070902b | ||
44395137 | 66163 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 514 | 8 | 1 | 5 | 4.2 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3cccc(F)c3)c3cccc(F)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
CHEMBL184390 | 66163 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 514 | 8 | 1 | 5 | 4.2 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3cccc(F)c3)c3cccc(F)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
127028587 | 137531 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 250 | 2 | 1 | 1 | 3.8 | C[C@@]1(c2ccc(Cl)cc2)CCCC=C1C(=O)O | 10.1016/j.bmcl.2015.11.051 | ||
CHEMBL3754549 | 137531 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 250 | 2 | 1 | 1 | 3.8 | C[C@@]1(c2ccc(Cl)cc2)CCCC=C1C(=O)O | 10.1016/j.bmcl.2015.11.051 | ||
44413328 | 139233 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 487 | 8 | 2 | 3 | 5.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(NCCN1CCCCC1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | ||
CHEMBL378995 | 139233 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 487 | 8 | 2 | 3 | 5.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(NCCN1CCCCC1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | ||
25270182 | 93295 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 429 | 6 | 1 | 2 | 5.7 | Cc1ccc(-c2cccc(C(=O)Nc3ccc(C[N+](C)(C)C4CCOCC4)cc3)c2)cc1 | 10.1016/j.bmcl.2007.01.115 | ||
CHEMBL245290 | 93295 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 429 | 6 | 1 | 2 | 5.7 | Cc1ccc(-c2cccc(C(=O)Nc3ccc(C[N+](C)(C)C4CCOCC4)cc3)c2)cc1 | 10.1016/j.bmcl.2007.01.115 | ||
46885159 | 8343 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 545 | 8 | 2 | 5 | 2.4 | Cc1ccc(C(=O)N2CCN(CCN3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL1093153 | 8343 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 545 | 8 | 2 | 5 | 2.4 | Cc1ccc(C(=O)N2CCN(CCN3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2010.02.072 | ||
127027626 | 137225 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 266 | 2 | 1 | 1 | 3.7 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2ccc(F)c(F)c2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
CHEMBL3751926 | 137225 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 266 | 2 | 1 | 1 | 3.7 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2ccc(F)c(F)c2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
44416015 | 81104 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 538 | 7 | 1 | 2 | 7.1 | CC(C)[C@@H](CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | ||
CHEMBL215689 | 81104 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 538 | 7 | 1 | 2 | 7.1 | CC(C)[C@@H](CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | ||
72947193 | 105204 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 568 | 6 | 1 | 7 | 3.3 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCC(C)C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
CHEMBL3115105 | 105204 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 568 | 6 | 1 | 7 | 3.3 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCC(C)C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
57656749 | 75181 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 444 | 4 | 1 | 3 | 4.4 | O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036761 | 75181 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 444 | 4 | 1 | 3 | 4.4 | O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
49763571 | 65388 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 459 | 6 | 2 | 3 | 4.0 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
CHEMBL1829609 | 65388 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 459 | 6 | 2 | 3 | 4.0 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
70687885 | 74500 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 473 | 6 | 2 | 3 | 4.4 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@H](c3ccccc3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
CHEMBL2029407 | 74500 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 473 | 6 | 2 | 3 | 4.4 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@H](c3ccccc3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
71768931 | 111098 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 544 | 4 | 1 | 5 | 4.9 | O=C(O)c1cccc(C2CCN([C@@H]3C[C@H]4OCC[C@@]4(C(=O)N4COc5ccc(C(F)(F)F)cc5C4)C3)CC2)c1 | 10.1016/j.bmcl.2014.03.036 | ||
CHEMBL3263285 | 111098 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 544 | 4 | 1 | 5 | 4.9 | O=C(O)c1cccc(C2CCN([C@@H]3C[C@H]4OCC[C@@]4(C(=O)N4COc5ccc(C(F)(F)F)cc5C4)C3)CC2)c1 | 10.1016/j.bmcl.2014.03.036 | ||
44573487 | 192610 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 496 | 6 | 2 | 3 | 6.0 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCSCC2)C1 | 10.1007/s00044-010-9501-4 | ||
CHEMBL521697 | 192610 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 496 | 6 | 2 | 3 | 6.0 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCSCC2)C1 | 10.1007/s00044-010-9501-4 | ||
10141379 | 73674 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 493 | 11 | 4 | 4 | 3.7 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](O)CC(C)C)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018366 | 73674 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 493 | 11 | 4 | 4 | 3.7 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](O)CC(C)C)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | ||
44425642 | 142321 | 0 | None | - | 0 | Mouse | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 582 | 5 | 1 | 3 | 7.3 | CS[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
CHEMBL388675 | 142321 | 0 | None | - | 0 | Mouse | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 582 | 5 | 1 | 3 | 7.3 | CS[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
46885029 | 8217 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 545 | 8 | 2 | 5 | 2.4 | Cc1cccc(C(=O)N2CCN(CCN3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)c1 | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL1092343 | 8217 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 545 | 8 | 2 | 5 | 2.4 | Cc1cccc(C(=O)N2CCN(CCN3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)c1 | 10.1016/j.bmcl.2010.02.072 | ||
71518571 | 86376 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 485 | 3 | 1 | 5 | 3.1 | O=C(N1CCc2ncc(C(F)(F)F)cc2C1)[C@@]12CCC[C@@H]1C[C@@H](NC1CCS(=O)(=O)CC1)C2 | 10.1016/j.bmcl.2012.10.069 | ||
CHEMBL2314060 | 86376 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 485 | 3 | 1 | 5 | 3.1 | O=C(N1CCc2ncc(C(F)(F)F)cc2C1)[C@@]12CCC[C@@H]1C[C@@H](NC1CCS(=O)(=O)CC1)C2 | 10.1016/j.bmcl.2012.10.069 | ||
71552097 | 86560 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 499 | 6 | 3 | 7 | 3.6 | Nc1cnccc1[C@H]1CC[C@@H](N2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2012.12.017 | ||
CHEMBL2315929 | 86560 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 499 | 6 | 3 | 7 | 3.6 | Nc1cnccc1[C@H]1CC[C@@H](N2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2012.12.017 | ||
46240895 | 83549 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 482 | 6 | 3 | 6 | 2.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3ccns3)CC2)C1 | 10.1021/ml300260s | ||
CHEMBL2204260 | 83549 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 482 | 6 | 3 | 6 | 2.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3ccns3)CC2)C1 | 10.1021/ml300260s | ||
46927116 | 65407 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 475 | 6 | 3 | 4 | 3.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@](O)(c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
CHEMBL1829628 | 65407 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 475 | 6 | 3 | 4 | 3.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@](O)(c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
54755919 | 65729 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 516 | 6 | 2 | 7 | 4.5 | O=C(CNc1noc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834651 | 65729 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 516 | 6 | 2 | 7 | 4.5 | O=C(CNc1noc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
44612590 | 137445 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 298 | 2 | 1 | 1 | 4.7 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2ccc(Cl)c(Cl)c2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
CHEMBL3753813 | 137445 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 298 | 2 | 1 | 1 | 4.7 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2ccc(Cl)c(Cl)c2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
53326702 | 58438 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 511 | 7 | 1 | 5 | 4.2 | COC[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
CHEMBL1683071 | 58438 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 511 | 7 | 1 | 5 | 4.2 | COC[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
44425283 | 86032 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 648 | 10 | 2 | 6 | 6.2 | CS(=O)(=O)Nc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
CHEMBL230824 | 86032 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 648 | 10 | 2 | 6 | 6.2 | CS(=O)(=O)Nc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
44425322 | 153177 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 738 | 9 | 2 | 5 | 8.6 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)C3Cc4ccccc43)n2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | ||
CHEMBL397717 | 153177 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 738 | 9 | 2 | 5 | 8.6 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)C3Cc4ccccc43)n2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | ||
44573488 | 187655 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 482 | 6 | 2 | 3 | 5.6 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCSC2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
CHEMBL495165 | 187655 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 482 | 6 | 2 | 3 | 5.6 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCSC2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
44442577 | 93517 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 520 | 10 | 4 | 4 | 3.5 | CCc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL246407 | 93517 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 520 | 10 | 4 | 4 | 3.5 | CCc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
44442578 | 155105 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 535 | 10 | 4 | 5 | 3.0 | Cc1cc(N(C)C)ccc1CNC[C@H](NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1)C(=O)NC(C)(C)C | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL402056 | 155105 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 535 | 10 | 4 | 5 | 3.0 | Cc1cc(N(C)C)ccc1CNC[C@H](NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1)C(=O)NC(C)(C)C | 10.1016/j.bmcl.2007.07.028 | ||
16720313 | 85388 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 498 | 5 | 1 | 2 | 6.4 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CC[C@@H](N2CCC(c3ccccc3)CC2)C1 | 10.1021/jm070166b | ||
CHEMBL226376 | 85388 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 498 | 5 | 1 | 2 | 6.4 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CC[C@@H](N2CCC(c3ccccc3)CC2)C1 | 10.1021/jm070166b | ||
53320967 | 58637 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 433 | 5 | 1 | 4 | 3.2 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CC(C)(C)C)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.052 | ||
CHEMBL1684684 | 58637 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 433 | 5 | 1 | 4 | 3.2 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CC(C)(C)C)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.052 | ||
24801344 | 97703 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 475 | 8 | 3 | 3 | 4.8 | CC(C)c1ccc(CN[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1021/jm701488f | ||
CHEMBL271537 | 97703 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 475 | 8 | 3 | 3 | 4.8 | CC(C)c1ccc(CN[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1021/jm701488f | ||
44573410 | 187402 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 494 | 7 | 2 | 3 | 5.6 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NCC2CCOCC2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
CHEMBL493779 | 187402 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 494 | 7 | 2 | 3 | 5.6 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NCC2CCOCC2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
44573410 | 187402 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 494 | 7 | 2 | 3 | 5.6 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NCC2CCOCC2)C1 | 10.1007/s00044-010-9501-4 | ||
CHEMBL493779 | 187402 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 494 | 7 | 2 | 3 | 5.6 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NCC2CCOCC2)C1 | 10.1007/s00044-010-9501-4 | ||
122181153 | 121814 | 0 | None | - | 0 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 558 | 7 | 1 | 3 | 6.3 | O=C(NCc1cc(F)cc(C(F)(F)F)c1)C(CCN1CCC2(CC1)OCCc1ccccc12)c1ccc(F)cc1 | 10.1016/j.bmc.2015.02.019 | ||
CHEMBL3589847 | 121814 | 0 | None | - | 0 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 558 | 7 | 1 | 3 | 6.3 | O=C(NCc1cc(F)cc(C(F)(F)F)c1)C(CCN1CCC2(CC1)OCCc1ccccc12)c1ccc(F)cc1 | 10.1016/j.bmc.2015.02.019 | ||
122181151 | 121813 | 0 | None | - | 0 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 622 | 7 | 1 | 3 | 7.6 | CC1Cc2ccccc2C2(CCN(CCC(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ccc(F)cc3)CC2)O1 | 10.1016/j.bmc.2015.02.019 | ||
CHEMBL3589846 | 121813 | 0 | None | - | 0 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 622 | 7 | 1 | 3 | 7.6 | CC1Cc2ccccc2C2(CCN(CCC(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ccc(F)cc3)CC2)O1 | 10.1016/j.bmc.2015.02.019 | ||
72946387 | 105199 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 535 | 4 | 2 | 7 | 1.3 | COC1COCCC1N[C@@H]1C[C@H]2CN(/C(N)=N\C#N)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
CHEMBL3115100 | 105199 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 535 | 4 | 2 | 7 | 1.3 | COC1COCCC1N[C@@H]1C[C@H]2CN(/C(N)=N\C#N)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
11553070 | 75171 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 398 | 4 | 1 | 3 | 3.9 | CCN1CCC[C@@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036751 | 75171 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 398 | 4 | 1 | 3 | 3.9 | CCN1CCC[C@@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
46208367 | 83552 | 13 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 482 | 6 | 3 | 6 | 2.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3cncs3)CC2)C1 | 10.1021/ml300260s | ||
CHEMBL2204263 | 83552 | 13 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 482 | 6 | 3 | 6 | 2.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3cncs3)CC2)C1 | 10.1021/ml300260s | ||
10195882 | 70477 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 497 | 7 | 3 | 5 | 2.5 | N[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2011.12.057 | ||
CHEMBL1946829 | 70477 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 497 | 7 | 3 | 5 | 2.5 | N[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2011.12.057 | ||
44415973 | 81026 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 536 | 8 | 1 | 2 | 7.0 | C=CC[C@H](CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | ||
CHEMBL215394 | 81026 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 536 | 8 | 1 | 2 | 7.0 | C=CC[C@H](CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | ||
44415939 | 140108 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 510 | 6 | 1 | 2 | 6.4 | C[C@H](CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | ||
CHEMBL380190 | 140108 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 510 | 6 | 1 | 2 | 6.4 | C[C@H](CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | ||
44442598 | 154363 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 465 | 9 | 5 | 5 | 1.4 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2N)C(N)=O)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL398747 | 154363 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 465 | 9 | 5 | 5 | 1.4 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2N)C(N)=O)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
24801522 | 161113 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 573 | 6 | 3 | 3 | 3.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@H]1NC(=O)c1ccc(I)cc1 | 10.1021/jm701488f | ||
CHEMBL411726 | 161113 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 573 | 6 | 3 | 3 | 3.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@H]1NC(=O)c1ccc(I)cc1 | 10.1021/jm701488f | ||
89823526 | 126321 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 538 | 4 | 0 | 4 | 5.7 | O=C(N1C[C@@H]2C[C@H]1CN2c1cc(C(F)(F)F)ccn1)[C@@]12CCC[C@@H]1C[C@@H](N1CCC(c3ccccc3)CC1)C2 | nan | ||
CHEMBL3650394 | 126321 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 538 | 4 | 0 | 4 | 5.7 | O=C(N1C[C@@H]2C[C@H]1CN2c1cc(C(F)(F)F)ccn1)[C@@]12CCC[C@@H]1C[C@@H](N1CCC(c3ccccc3)CC1)C2 | nan | ||
57344319 | 130609 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 491 | 6 | 4 | 3 | 4.7 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)Nc2cccc(F)c2)CC1 | nan | ||
CHEMBL3681881 | 130609 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 491 | 6 | 4 | 3 | 4.7 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)Nc2cccc(F)c2)CC1 | nan | ||
9889422 | 127128 | 3 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 439 | 6 | 2 | 3 | 3.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2004.08.009 | ||
CHEMBL365681 | 127128 | 3 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 439 | 6 | 2 | 3 | 3.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2004.08.009 | ||
54755193 | 65715 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 437 | 6 | 3 | 4 | 4.0 | CC(C)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3n[nH]c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834637 | 65715 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 437 | 6 | 3 | 4 | 4.0 | CC(C)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3n[nH]c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
57395061 | 70307 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 553 | 10 | 2 | 5 | 3.9 | CCCN(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
CHEMBL1944774 | 70307 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 553 | 10 | 2 | 5 | 3.9 | CCCN(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
71768897 | 111096 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 543 | 4 | 1 | 5 | 4.5 | O=C(O)c1cccc(C2CCN([C@@H]3C[C@H]4OCC[C@@]4(C(=O)N4CCc5ncc(C(F)(F)F)cc5C4)C3)CC2)c1 | 10.1016/j.bmcl.2014.03.036 | ||
CHEMBL3263283 | 111096 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 543 | 4 | 1 | 5 | 4.5 | O=C(O)c1cccc(C2CCN([C@@H]3C[C@H]4OCC[C@@]4(C(=O)N4CCc5ncc(C(F)(F)F)cc5C4)C3)CC2)c1 | 10.1016/j.bmcl.2014.03.036 | ||
44353197 | 20738 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 450 | 4 | 1 | 4 | 4.6 | O=C(NS(=O)(=O)C(F)(F)F)c1cc2ccccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
CHEMBL130947 | 20738 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 450 | 4 | 1 | 4 | 4.6 | O=C(NS(=O)(=O)C(F)(F)F)c1cc2ccccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
127025729 | 137299 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 258 | 2 | 1 | 1 | 4.0 | Cc1cccc([C@]2(C)C[C@@H](C)CC=C2C(=O)O)c1C | 10.1016/j.bmcl.2015.11.051 | ||
CHEMBL3752652 | 137299 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 258 | 2 | 1 | 1 | 4.0 | Cc1cccc([C@]2(C)C[C@@H](C)CC=C2C(=O)O)c1C | 10.1016/j.bmcl.2015.11.051 | ||
127036934 | 137403 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 248 | 2 | 1 | 1 | 3.5 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2cccc(F)c2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
CHEMBL3753474 | 137403 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 248 | 2 | 1 | 1 | 3.5 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2cccc(F)c2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
57391797 | 70481 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 497 | 7 | 3 | 5 | 2.5 | N[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
CHEMBL1946833 | 70481 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 497 | 7 | 3 | 5 | 2.5 | N[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
68004016 | 86579 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 506 | 6 | 3 | 8 | 3.1 | O=C(CNc1nccc2ncc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@](O)(c3cncs3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | ||
CHEMBL2316211 | 86579 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 506 | 6 | 3 | 8 | 3.1 | O=C(CNc1nccc2ncc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@](O)(c3cncs3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | ||
11342351 | 77612 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 592 | 10 | 2 | 5 | 5.5 | CCCc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)cc1 | 10.1016/j.bmcl.2012.08.002 | ||
CHEMBL2088381 | 77612 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 592 | 10 | 2 | 5 | 5.5 | CCCc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)cc1 | 10.1016/j.bmcl.2012.08.002 | ||
44415898 | 81092 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 536 | 7 | 1 | 2 | 6.8 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(C=Cc3ccccc32)CC1)C1CC1 | 10.1016/j.bmcl.2006.07.011 | ||
CHEMBL215654 | 81092 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 536 | 7 | 1 | 2 | 6.8 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(C=Cc3ccccc32)CC1)C1CC1 | 10.1016/j.bmcl.2006.07.011 | ||
53320970 | 58651 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 435 | 5 | 1 | 4 | 2.5 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CCC2)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2011.01.052 | ||
CHEMBL1684704 | 58651 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 435 | 5 | 1 | 4 | 2.5 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CCC2)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2011.01.052 | ||
44442566 | 154754 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 506 | 10 | 4 | 4 | 3.2 | CCc1ccccc1CNC[C@H](NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1)C(=O)NC(C)(C)C | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL400159 | 154754 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 506 | 10 | 4 | 4 | 3.2 | CCc1ccccc1CNC[C@H](NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1)C(=O)NC(C)(C)C | 10.1016/j.bmcl.2007.07.028 | ||
22143196 | 183963 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 509 | 7 | 5 | 6 | 2.0 | CSc1ccc(C(=O)NC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
CHEMBL481790 | 183963 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 509 | 7 | 5 | 6 | 2.0 | CSc1ccc(C(=O)NC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
44444005 | 93969 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 428 | 9 | 1 | 3 | 4.8 | COc1ccc(C2CCN(CCCCNC(=O)/C=C/c3cc(F)cc(F)c3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | ||
CHEMBL248640 | 93969 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 428 | 9 | 1 | 3 | 4.8 | COc1ccc(C2CCN(CCCCNC(=O)/C=C/c3cc(F)cc(F)c3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | ||
132572938 | 156765 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 551 | 8 | 1 | 4 | 6.4 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CN(CC(C)C)C3=O)cc1 | 10.1016/j.ejmech.2017.04.046 | ||
CHEMBL4070869 | 156765 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 551 | 8 | 1 | 4 | 6.4 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CN(CC(C)C)C3=O)cc1 | 10.1016/j.ejmech.2017.04.046 | ||
44353377 | 23138 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 397 | 4 | 1 | 4 | 4.1 | CS(=O)(=O)c1cccc2c1cc(C(=O)O)n2Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
CHEMBL133111 | 23138 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 397 | 4 | 1 | 4 | 4.1 | CS(=O)(=O)c1cccc2c1cc(C(=O)O)n2Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
71552260 | 86569 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 574 | 6 | 3 | 8 | 4.2 | O=C(CNc1nc(C(F)(F)F)nc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@](O)(c3cncs3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | ||
CHEMBL2315938 | 86569 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 574 | 6 | 3 | 8 | 4.2 | O=C(CNc1nc(C(F)(F)F)nc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@](O)(c3cncs3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | ||
72946013 | 105232 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 560 | 4 | 1 | 6 | 2.4 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)C#CC3CC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
CHEMBL3115274 | 105232 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 560 | 4 | 1 | 6 | 2.4 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)C#CC3CC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
76333441 | 84870 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 493 | 8 | 2 | 4 | 5.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](NCCN1CCCCC1)c1ccsc1 | 10.1007/s00044-010-9497-9 | ||
CHEMBL2236473 | 84870 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 493 | 8 | 2 | 4 | 5.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](NCCN1CCCCC1)c1ccsc1 | 10.1007/s00044-010-9497-9 | ||
10323427 | 79731 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 493 | 8 | 2 | 4 | 5.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccsc1 | 10.1016/j.bmcl.2006.04.045 | ||
CHEMBL211775 | 79731 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 493 | 8 | 2 | 4 | 5.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccsc1 | 10.1016/j.bmcl.2006.04.045 | ||
508877 | 95032 | 1 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 466 | 7 | 4 | 6 | 2.1 | COc1cc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)ccc1O | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL255209 | 95032 | 1 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 466 | 7 | 4 | 6 | 2.1 | COc1cc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)ccc1O | 10.1016/j.bmcl.2008.02.015 | ||
53321503 | 58462 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 516 | 8 | 1 | 6 | 3.4 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](CCCF)(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 | 10.1016/j.bmcl.2011.01.015 | ||
CHEMBL1683188 | 58462 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 516 | 8 | 1 | 6 | 3.4 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](CCCF)(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 | 10.1016/j.bmcl.2011.01.015 | ||
53321615 | 58650 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 451 | 5 | 1 | 4 | 3.1 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CC(C)(C)C)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2011.01.052 | ||
CHEMBL1684703 | 58650 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 451 | 5 | 1 | 4 | 3.1 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CC(C)(C)C)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2011.01.052 | ||
67772859 | 124421 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 535 | 7 | 2 | 4 | 5.6 | COC(=O)C(N[C@H]1CC[C@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | nan | ||
CHEMBL3639807 | 124421 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 535 | 7 | 2 | 4 | 5.6 | COC(=O)C(N[C@H]1CC[C@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | nan | ||
10139782 | 73670 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 465 | 10 | 4 | 4 | 3.1 | CC[C@@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018362 | 73670 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 465 | 10 | 4 | 4 | 3.1 | CC[C@@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
49763569 | 65389 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 435 | 6 | 2 | 5 | 2.7 | O=C(CNC(=O)c1ccccc1)NC1CN([C@H]2CC[C@H](c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
CHEMBL1829610 | 65389 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 435 | 6 | 2 | 5 | 2.7 | O=C(CNC(=O)c1ccccc1)NC1CN([C@H]2CC[C@H](c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
25268436 | 93400 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 391 | 5 | 1 | 2 | 4.5 | C[N+](C)(Cc1ccc(NC(=O)c2ccc(F)c(Cl)c2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
CHEMBL245896 | 93400 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 391 | 5 | 1 | 2 | 4.5 | C[N+](C)(Cc1ccc(NC(=O)c2ccc(F)c(Cl)c2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
9885442 | 20721 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 364 | 4 | 1 | 4 | 4.6 | O=C(O)c1cc2cc([N+](=O)[O-])ccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
CHEMBL130936 | 20721 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 364 | 4 | 1 | 4 | 4.6 | O=C(O)c1cc2cc([N+](=O)[O-])ccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
89823586 | 126298 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 509 | 5 | 1 | 7 | 2.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(C(F)(F)F)n2)C1 | nan | ||
CHEMBL3650372 | 126298 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 509 | 5 | 1 | 7 | 2.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(C(F)(F)F)n2)C1 | nan | ||
72947413 | 105229 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 510 | 4 | 1 | 6 | 2.0 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(C)=O)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
CHEMBL3115271 | 105229 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 510 | 4 | 1 | 6 | 2.0 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(C)=O)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
162666730 | 182250 | 1 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
CHEMBL4783861 | 182250 | 1 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
155491018 | 174059 | 1 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 395 | 3 | 2 | 5 | 3.1 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4544504 | 174059 | 1 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 395 | 3 | 2 | 5 | 3.1 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 | 10.1021/acs.jmedchem.9b00742 | ||
86767123 | 129380 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 497 | 5 | 1 | 6 | 3.1 | CCC1CC2(C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)CC(NC3CCOCC3OC)CC2O1 | nan | ||
CHEMBL3671256 | 129380 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 497 | 5 | 1 | 6 | 3.1 | CCC1CC2(C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)CC(NC3CCOCC3OC)CC2O1 | nan | ||
11699149 | 95077 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 511 | 6 | 2 | 3 | 5.1 | O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
CHEMBL255478 | 95077 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 511 | 6 | 2 | 3 | 5.1 | O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
10304021 | 73691 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 594 | 12 | 5 | 6 | 4.8 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)OC(C)(C)C | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018384 | 73691 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 594 | 12 | 5 | 6 | 4.8 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)OC(C)(C)C | 10.1016/j.bmcl.2012.03.007 | ||
44415880 | 169315 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 550 | 7 | 1 | 2 | 7.1 | C[C@H]1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CC2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | ||
CHEMBL441856 | 169315 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 550 | 7 | 1 | 2 | 7.1 | C[C@H]1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CC2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | ||
44447775 | 95678 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 558 | 6 | 1 | 2 | 7.6 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cccc(F)c3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
CHEMBL258246 | 95678 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 558 | 6 | 1 | 2 | 7.6 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cccc(F)c3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
44425643 | 86013 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 500 | 4 | 1 | 2 | 6.3 | C[C@H]1CN([C@@H]2CC[C@](C)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
CHEMBL230722 | 86013 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 500 | 4 | 1 | 2 | 6.3 | C[C@H]1CN([C@@H]2CC[C@](C)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
44425271 | 153218 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 598 | 10 | 2 | 5 | 6.4 | O=CNc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
CHEMBL397747 | 153218 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 598 | 10 | 2 | 5 | 6.4 | O=CNc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
44593562 | 187471 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 494 | 6 | 2 | 3 | 5.6 | CC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | ||
CHEMBL494191 | 187471 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 494 | 6 | 2 | 3 | 5.6 | CC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | ||
71768755 | 111073 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 497 | 5 | 1 | 6 | 3.1 | CCC1C[C@@]2(C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)C[C@H](NC3CCOCC3OC)C[C@H]2O1 | 10.1016/j.bmcl.2014.03.036 | ||
CHEMBL3263256 | 111073 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 497 | 5 | 1 | 6 | 3.1 | CCC1C[C@@]2(C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)C[C@H](NC3CCOCC3OC)C[C@H]2O1 | 10.1016/j.bmcl.2014.03.036 | ||
11591956 | 89308 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 539 | 6 | 2 | 3 | 6.1 | O=C(O)C(C1CCN(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
CHEMBL236930 | 89308 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 539 | 6 | 2 | 3 | 6.1 | O=C(O)C(C1CCN(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
23656430 | 89852 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 540 | 6 | 3 | 4 | 4.8 | Nc1ccc2[nH]cc(C3CCN(C(C(=O)O)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c2c1 | 10.1021/jm070902b | ||
CHEMBL237806 | 89852 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 540 | 6 | 3 | 4 | 4.8 | Nc1ccc2[nH]cc(C3CCN(C(C(=O)O)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c2c1 | 10.1021/jm070902b | ||
11548199 | 89893 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 525 | 6 | 2 | 3 | 5.2 | O=C(O)[C@H](C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
CHEMBL237967 | 89893 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 525 | 6 | 2 | 3 | 5.2 | O=C(O)[C@H](C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
23656431 | 146312 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 539 | 6 | 2 | 3 | 5.5 | Cc1[nH]c2ccccc2c1C1CCN(C(C(=O)O)C2CCN(C(=O)/C=C/c3cc(F)c(F)c(F)c3)CC2)CC1 | 10.1021/jm070902b | ||
CHEMBL392120 | 146312 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 539 | 6 | 2 | 3 | 5.5 | Cc1[nH]c2ccccc2c1C1CCN(C(C(=O)O)C2CCN(C(=O)/C=C/c3cc(F)c(F)c(F)c3)CC2)CC1 | 10.1021/jm070902b | ||
44453405 | 95407 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 469 | 6 | 4 | 5 | 2.6 | Nc1cc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)ccc1Cl | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL257062 | 95407 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 469 | 6 | 4 | 5 | 2.6 | Nc1cc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)ccc1Cl | 10.1016/j.bmcl.2008.02.015 | ||
53318316 | 58649 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 453 | 4 | 1 | 5 | 3.1 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2011.01.052 | ||
CHEMBL1684702 | 58649 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 453 | 4 | 1 | 5 | 3.1 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2011.01.052 | ||
57395219 | 70982 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 490 | 6 | 3 | 5 | 2.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3ccncc3)CC2)C1 | 10.1021/ml200030q | ||
CHEMBL1951770 | 70982 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 490 | 6 | 3 | 5 | 2.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3ccncc3)CC2)C1 | 10.1021/ml200030q | ||
53320973 | 58660 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 453 | 6 | 1 | 5 | 3.0 | CC(C)COC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C(C)C)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2011.01.052 | ||
CHEMBL1684713 | 58660 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 453 | 6 | 1 | 5 | 3.0 | CC(C)COC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C(C)C)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2011.01.052 | ||
44580590 | 193547 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 565 | 10 | 4 | 6 | 3.5 | CCCCN1CCC(NC(=O)c2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C1 | 10.1016/j.bmcl.2008.07.123 | ||
CHEMBL526859 | 193547 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 565 | 10 | 4 | 6 | 3.5 | CCCCN1CCC(NC(=O)c2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C1 | 10.1016/j.bmcl.2008.07.123 | ||
24794585 | 179500 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 478 | 5 | 2 | 6 | 2.6 | CC(=O)N[C@@H]1C[C@H](N(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | 10.1021/acsmedchemlett.1c00082 | ||
CHEMBL4741305 | 179500 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 478 | 5 | 2 | 6 | 2.6 | CC(=O)N[C@@H]1C[C@H](N(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | 10.1021/acsmedchemlett.1c00082 | ||
11283842 | 73709 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 522 | 13 | 5 | 5 | 4.5 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(NCC)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018402 | 73709 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 522 | 13 | 5 | 5 | 4.5 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(NCC)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
11273379 | 74519 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 595 | 6 | 2 | 8 | 4.2 | O=C(C1CCN(c2cccc(C(F)(F)F)n2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | ||
CHEMBL2029567 | 74519 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 595 | 6 | 2 | 8 | 4.2 | O=C(C1CCN(c2cccc(C(F)(F)F)n2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | ||
54583111 | 62515 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 512 | 6 | 0 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1782377 | 62515 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 512 | 6 | 0 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
24794583 | 181069 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 464 | 5 | 3 | 6 | 2.3 | CN[C@@H]1CC[C@H](N2CC[C@H](Nc3ncnc4ccc(C(F)(F)F)cc34)C2=O)[C@H](NC(C)=O)C1 | 10.1021/acsmedchemlett.1c00082 | ||
CHEMBL4760098 | 181069 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 464 | 5 | 3 | 6 | 2.3 | CN[C@@H]1CC[C@H](N2CC[C@H](Nc3ncnc4ccc(C(F)(F)F)cc34)C2=O)[C@H](NC(C)=O)C1 | 10.1021/acsmedchemlett.1c00082 | ||
53321616 | 58430 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 495 | 6 | 1 | 4 | 5.0 | CC[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
CHEMBL1683063 | 58430 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 495 | 6 | 1 | 4 | 5.0 | CC[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
25110716 | 155182 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 515 | 4 | 0 | 3 | 7.0 | C[C@H]1CN([C@@H]2CC[C@@]3(CCO[C@H]3OCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.016 | ||
CHEMBL402532 | 155182 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 515 | 4 | 0 | 3 | 7.0 | C[C@H]1CN([C@@H]2CC[C@@]3(CCO[C@H]3OCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.016 | ||
44573485 | 187697 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 480 | 6 | 2 | 3 | 5.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
CHEMBL495368 | 187697 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 480 | 6 | 2 | 3 | 5.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
44573452 | 187583 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 480 | 6 | 2 | 3 | 5.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCCOC2)C1 | 10.1007/s00044-010-9501-4 | ||
CHEMBL494770 | 187583 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 480 | 6 | 2 | 3 | 5.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCCOC2)C1 | 10.1007/s00044-010-9501-4 | ||
68764898 | 669 | 2 | None | - | 3 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 491 | 7 | 1 | 5 | 5.3 | CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/ml500505q | ||
9430 | 669 | 2 | None | - | 3 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 491 | 7 | 1 | 5 | 5.3 | CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/ml500505q | ||
CHEMBL3577945 | 669 | 2 | None | - | 3 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 491 | 7 | 1 | 5 | 5.3 | CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/ml500505q | ||
10281715 | 73694 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 579 | 13 | 6 | 5 | 4.0 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018387 | 73694 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 579 | 13 | 6 | 5 | 4.0 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C | 10.1016/j.bmcl.2012.03.007 | ||
10281715 | 73694 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 579 | 13 | 6 | 5 | 4.0 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C | 10.1021/ml500505q | ||
CHEMBL2018387 | 73694 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 579 | 13 | 6 | 5 | 4.0 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C | 10.1021/ml500505q | ||
69286635 | 121205 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 469 | 9 | 2 | 3 | 4.9 | CC(C)CC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | ||
CHEMBL3577939 | 121205 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 469 | 9 | 2 | 3 | 4.9 | CC(C)CC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | ||
44571218 | 183854 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 523 | 7 | 5 | 6 | 2.5 | CSc1ccc(C(=O)NC2CC(N)CCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
CHEMBL481009 | 183854 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 523 | 7 | 5 | 6 | 2.5 | CSc1ccc(C(=O)NC2CC(N)CCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
57398750 | 70987 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3ccnnc3)CC2)C1 | 10.1021/ml200030q | ||
CHEMBL1951775 | 70987 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3ccnnc3)CC2)C1 | 10.1021/ml200030q | ||
66768640 | 121200 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 515 | 13 | 6 | 5 | 2.6 | CCC[C@H](O)[C@H](CNCC1CC1)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C | 10.1021/ml500505q | ||
CHEMBL3577934 | 121200 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 515 | 13 | 6 | 5 | 2.6 | CCC[C@H](O)[C@H](CNCC1CC1)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C | 10.1021/ml500505q | ||
68004002 | 86555 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 506 | 6 | 3 | 8 | 3.1 | O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@](O)(c3cncs3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | ||
CHEMBL2315924 | 86555 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 506 | 6 | 3 | 8 | 3.1 | O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@](O)(c3cncs3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | ||
67774784 | 130624 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 542 | 6 | 4 | 4 | 5.3 | NC(=O)C(NC1CCC(c2c[nH]c3ccncc23)CC1)C1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 | nan | ||
CHEMBL3681896 | 130624 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 542 | 6 | 4 | 4 | 5.3 | NC(=O)C(NC1CCC(c2c[nH]c3ccncc23)CC1)C1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 | nan | ||
11712754 | 95037 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 482 | 5 | 3 | 3 | 4.9 | O=C(Nc1cc(F)cc(F)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
CHEMBL255266 | 95037 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 482 | 5 | 3 | 3 | 4.9 | O=C(Nc1cc(F)cc(F)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
11555541 | 155271 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 529 | 6 | 2 | 3 | 5.2 | O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccc(F)cc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
CHEMBL402955 | 155271 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 529 | 6 | 2 | 3 | 5.2 | O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccc(F)cc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
11192300 | 73774 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 565 | 13 | 6 | 5 | 4.2 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(NC(=O)NCC)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018528 | 73774 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 565 | 13 | 6 | 5 | 4.2 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(NC(=O)NCC)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
11718088 | 93553 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 391 | 5 | 1 | 1 | 5.8 | C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCCC1 | 10.1016/j.bmcl.2007.01.115 | ||
CHEMBL246520 | 93553 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 391 | 5 | 1 | 1 | 5.8 | C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCCC1 | 10.1016/j.bmcl.2007.01.115 | ||
71519054 | 86368 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 432 | 4 | 1 | 4 | 3.6 | COC1COCCC1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ccc(Cl)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
CHEMBL2314052 | 86368 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 432 | 4 | 1 | 4 | 3.6 | COC1COCCC1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ccc(Cl)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
10436083 | 79848 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 501 | 8 | 2 | 3 | 5.5 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCCC1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | ||
CHEMBL212306 | 79848 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 501 | 8 | 2 | 3 | 5.5 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCCC1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | ||
44442565 | 93512 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 492 | 9 | 4 | 4 | 2.9 | Cc1ccccc1CNC[C@H](NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1)C(=O)NC(C)(C)C | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL246401 | 93512 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 492 | 9 | 4 | 4 | 2.9 | Cc1ccccc1CNC[C@H](NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1)C(=O)NC(C)(C)C | 10.1016/j.bmcl.2007.07.028 | ||
10299952 | 154987 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 488 | 10 | 4 | 4 | 3.2 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL401463 | 154987 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 488 | 10 | 4 | 4 | 3.2 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
24801343 | 97745 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 501 | 7 | 3 | 3 | 4.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@H]1NCc1ccc(C(F)(F)F)cc1 | 10.1021/jm701488f | ||
CHEMBL271752 | 97745 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 501 | 7 | 3 | 3 | 4.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@H]1NCc1ccc(C(F)(F)F)cc1 | 10.1021/jm701488f | ||
44395165 | 169449 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 508 | 9 | 2 | 6 | 3.4 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccccc3)c3cccc(CO)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
CHEMBL442966 | 169449 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 508 | 9 | 2 | 6 | 3.4 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccccc3)c3cccc(CO)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
44444098 | 161640 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 486 | 6 | 0 | 3 | 6.1 | COc1cccc(C2CCN(CC3CCN(C(=O)/C=C/c4ccc(Cl)c(Cl)c4)CC3)CC2)c1 | 10.1016/j.bmcl.2007.07.065 | ||
CHEMBL413084 | 161640 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 486 | 6 | 0 | 3 | 6.1 | COc1cccc(C2CCN(CC3CCN(C(=O)/C=C/c4ccc(Cl)c(Cl)c4)CC3)CC2)c1 | 10.1016/j.bmcl.2007.07.065 | ||
44395129 | 66614 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 399 | 8 | 2 | 3 | 3.2 | O=C(CCNC(=O)c1ccccc1)NCC1CCCN1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2004.08.009 | ||
CHEMBL185283 | 66614 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 399 | 8 | 2 | 3 | 3.2 | O=C(CCNC(=O)c1ccccc1)NCC1CCCN1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2004.08.009 | ||
57344313 | 130631 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 503 | 7 | 3 | 4 | 4.1 | NC(=O)C(NC1CCC(c2c[nH]c3ccncc23)CC1)C1CCN(C(=O)/C=C/c2ccc(F)cc2)CC1 | nan | ||
CHEMBL3681902 | 130631 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 503 | 7 | 3 | 4 | 4.1 | NC(=O)C(NC1CCC(c2c[nH]c3ccncc23)CC1)C1CCN(C(=O)/C=C/c2ccc(F)cc2)CC1 | nan | ||
57344303 | 130623 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 538 | 7 | 3 | 3 | 5.0 | NC(=O)C(N[C@H]1CC[C@@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | ||
CHEMBL3681895 | 130623 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 538 | 7 | 3 | 3 | 5.0 | NC(=O)C(N[C@H]1CC[C@@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | ||
71517239 | 86345 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 467 | 4 | 1 | 5 | 3.3 | COC1COCCC1N[C@H]1C[C@@H]2CCC[C@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
CHEMBL2313766 | 86345 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 467 | 4 | 1 | 5 | 3.3 | COC1COCCC1N[C@H]1C[C@@H]2CCC[C@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
72946200 | 105205 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 570 | 7 | 1 | 8 | 2.2 | COCCOC(=O)N1C[C@@H]2C[C@@H](NC3CCOCC3OC)C[C@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
CHEMBL3115106 | 105205 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 570 | 7 | 1 | 8 | 2.2 | COCCOC(=O)N1C[C@@H]2C[C@@H](NC3CCOCC3OC)C[C@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
72946008 | 105210 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 625 | 7 | 1 | 9 | 1.9 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCCN3CCOCC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
CHEMBL3115111 | 105210 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 625 | 7 | 1 | 9 | 1.9 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCCN3CCOCC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
53321483 | 58445 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 498 | 7 | 1 | 6 | 3.5 | CCC[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](N[C@H]2CCOC[C@H]2OC)C1 | 10.1016/j.bmcl.2011.01.015 | ||
CHEMBL1683078 | 58445 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 498 | 7 | 1 | 6 | 3.5 | CCC[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](N[C@H]2CCOC[C@H]2OC)C1 | 10.1016/j.bmcl.2011.01.015 | ||
10279078 | 73686 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 508 | 11 | 5 | 5 | 3.5 | CCC(O)(CC)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1N | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018379 | 73686 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 508 | 11 | 5 | 5 | 3.5 | CCC(O)(CC)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1N | 10.1016/j.bmcl.2012.03.007 | ||
46240687 | 83556 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 528 | 7 | 3 | 7 | 3.2 | CSc1ncc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)s1 | 10.1021/ml300260s | ||
CHEMBL2204267 | 83556 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 528 | 7 | 3 | 7 | 3.2 | CSc1ncc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)s1 | 10.1021/ml300260s | ||
44447786 | 95085 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 584 | 7 | 2 | 3 | 7.1 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cccc(C(=O)O)c3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
CHEMBL255511 | 95085 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 584 | 7 | 2 | 3 | 7.1 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cccc(C(=O)O)c3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
54584109 | 62517 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 509 | 5 | 1 | 6 | 3.7 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)cnn3)CC2)CC[C@@H](NC2C3CCCC2COC3)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1782379 | 62517 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 509 | 5 | 1 | 6 | 3.7 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)cnn3)CC2)CC[C@@H](NC2C3CCCC2COC3)C1 | 10.1016/j.bmcl.2011.01.034 | ||
69286108 | 121207 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 505 | 9 | 2 | 4 | 4.5 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](COc2ccccc2)C1 | 10.1021/ml500505q | ||
CHEMBL3577941 | 121207 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 505 | 9 | 2 | 4 | 4.5 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](COc2ccccc2)C1 | 10.1021/ml500505q | ||
10218812 | 193410 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 621 | 10 | 3 | 7 | 2.8 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](NS(C)(=O)=O)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL526180 | 193410 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 621 | 10 | 3 | 7 | 2.8 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](NS(C)(=O)=O)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
89823580 | 126311 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 507 | 5 | 1 | 5 | 4.1 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(Cl)c(Cl)c2)C1 | nan | ||
CHEMBL3650385 | 126311 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 507 | 5 | 1 | 5 | 4.1 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(Cl)c(Cl)c2)C1 | nan | ||
57344314 | 68901 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 553 | 7 | 2 | 4 | 5.7 | COC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | ||
CHEMBL1922788 | 68901 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 553 | 7 | 2 | 4 | 5.7 | COC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | ||
76314234 | 105196 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 553 | 5 | 2 | 6 | 2.6 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)NC(C)C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
CHEMBL3115098 | 105196 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 553 | 5 | 2 | 6 | 2.6 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)NC(C)C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
72945830 | 105200 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 526 | 4 | 1 | 7 | 2.2 | COC(=O)N1C[C@@H]2C[C@@H](NC3CCOCC3OC)C[C@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
CHEMBL3115101 | 105200 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 526 | 4 | 1 | 7 | 2.2 | COC(=O)N1C[C@@H]2C[C@@H](NC3CCOCC3OC)C[C@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
49764701 | 65409 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 500 | 6 | 3 | 5 | 2.9 | N#Cc1cccc([C@]2(O)CC[C@@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)c1 | 10.1016/j.bmcl.2011.06.080 | ||
CHEMBL1829630 | 65409 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 500 | 6 | 3 | 5 | 2.9 | N#Cc1cccc([C@]2(O)CC[C@@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)c1 | 10.1016/j.bmcl.2011.06.080 | ||
44442543 | 154797 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 492 | 11 | 4 | 4 | 2.9 | CCNC(=O)[C@H](CCNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL400383 | 154797 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 492 | 11 | 4 | 4 | 2.9 | CCNC(=O)[C@H](CCNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | ||
22310945 | 118035 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 349 | 4 | 1 | 3 | 4.7 | COc1ccc2c(c1)cc(C(=O)O)n2Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
CHEMBL340450 | 118035 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 349 | 4 | 1 | 3 | 4.7 | COc1ccc2c(c1)cc(C(=O)O)n2Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
44395186 | 65188 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 478 | 8 | 1 | 5 | 3.9 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
CHEMBL182598 | 65188 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 478 | 8 | 1 | 5 | 3.9 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
57397013 | 70484 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 343 | 4 | 3 | 3 | 1.8 | N[C@H]1CC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)CC1 | 10.1016/j.bmcl.2011.12.057 | ||
CHEMBL1946836 | 70484 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 343 | 4 | 3 | 3 | 1.8 | N[C@H]1CC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)CC1 | 10.1016/j.bmcl.2011.12.057 | ||
44395143 | 66984 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 406 | 6 | 3 | 5 | 2.3 | Cc1csc(C(=O)NNC(=O)CNC2CCN(Cc3ccc(Cl)cc3)C2)c1 | 10.1016/j.bmcl.2004.08.009 | ||
CHEMBL186984 | 66984 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 406 | 6 | 3 | 5 | 2.3 | Cc1csc(C(=O)NNC(=O)CNC2CCN(Cc3ccc(Cl)cc3)C2)c1 | 10.1016/j.bmcl.2004.08.009 | ||
24801345 | 97826 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 475 | 6 | 3 | 3 | 3.9 | Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)c(C)c1 | 10.1021/jm701488f | ||
CHEMBL272167 | 97826 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 475 | 6 | 3 | 3 | 3.9 | Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)c(C)c1 | 10.1021/jm701488f | ||
24801345 | 97826 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 475 | 6 | 3 | 3 | 3.9 | Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)c(C)c1 | 10.1021/jm701488f | ||
CHEMBL272167 | 97826 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 475 | 6 | 3 | 3 | 3.9 | Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)c(C)c1 | 10.1021/jm701488f | ||
122181152 | 121680 | 0 | None | - | 0 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 638 | 8 | 1 | 4 | 7.2 | COc1ccc2c(c1)CCOC21CCN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CC1 | 10.1016/j.bmc.2015.02.019 | ||
CHEMBL3588870 | 121680 | 0 | None | - | 0 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 638 | 8 | 1 | 4 | 7.2 | COc1ccc2c(c1)CCOC21CCN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CC1 | 10.1016/j.bmc.2015.02.019 | ||
5353432 | 97467 | 89 | None | -1 | 3 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 249 | 2 | 0 | 3 | 2.8 | CC(C)(C)c1ccc(S(=O)(=O)/C=C/C#N)cc1 | nan | ||
CHEMBL270299 | 97467 | 89 | None | -1 | 3 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 249 | 2 | 0 | 3 | 2.8 | CC(C)(C)c1ccc(S(=O)(=O)/C=C/C#N)cc1 | nan | ||
44573569 | 193265 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 528 | 6 | 2 | 3 | 6.6 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOc3ccccc32)C1 | 10.1007/s00044-010-9501-4 | ||
CHEMBL524030 | 193265 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 528 | 6 | 2 | 3 | 6.6 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOc3ccccc32)C1 | 10.1007/s00044-010-9501-4 | ||
44573569 | 193265 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 528 | 6 | 2 | 3 | 6.6 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOc3ccccc32)C1 | 10.1016/j.bmcl.2008.12.050 | ||
CHEMBL524030 | 193265 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 528 | 6 | 2 | 3 | 6.6 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOc3ccccc32)C1 | 10.1016/j.bmcl.2008.12.050 | ||
44415904 | 80401 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 514 | 9 | 1 | 2 | 7.0 | CCC[C@H](CCN1CCC(c2ccccc2)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | ||
CHEMBL214641 | 80401 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 514 | 9 | 1 | 2 | 7.0 | CCC[C@H](CCN1CCC(c2ccccc2)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | ||
44425306 | 142344 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 612 | 9 | 2 | 5 | 6.8 | CC(=O)Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
CHEMBL388949 | 142344 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 612 | 9 | 2 | 5 | 6.8 | CC(=O)Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
44453408 | 95409 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 436 | 6 | 4 | 5 | 2.1 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(O)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL257064 | 95409 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 436 | 6 | 4 | 5 | 2.1 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(O)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
44593562 | 187471 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 494 | 6 | 2 | 3 | 5.6 | CC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | ||
CHEMBL494191 | 187471 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 494 | 6 | 2 | 3 | 5.6 | CC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | ||
49863225 | 15183 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 609 | 13 | 5 | 7 | 4.4 | COC(=O)[C@H](CCCNC(=N)N)NC(=O)CCNCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
CHEMBL1210728 | 15183 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 609 | 13 | 5 | 7 | 4.4 | COC(=O)[C@H](CCCNC(=N)N)NC(=O)CCNCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
44395136 | 67049 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 493 | 8 | 2 | 6 | 3.5 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccccc3)c3cccc(N)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
CHEMBL187284 | 67049 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 493 | 8 | 2 | 6 | 3.5 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccccc3)c3cccc(N)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
9842404 | 67244 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 371 | 6 | 2 | 3 | 2.5 | O=C(CNC(=O)c1ccccc1)NC1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2004.08.009 | ||
CHEMBL188170 | 67244 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 371 | 6 | 2 | 3 | 2.5 | O=C(CNC(=O)c1ccccc1)NC1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2004.08.009 | ||
44413147 | 139688 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 453 | 8 | 2 | 4 | 4.3 | CN(C)CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccsc1 | 10.1016/j.bmcl.2006.04.045 | ||
CHEMBL379818 | 139688 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 453 | 8 | 2 | 4 | 4.3 | CN(C)CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccsc1 | 10.1016/j.bmcl.2006.04.045 | ||
25269516 | 93294 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 353 | 5 | 1 | 2 | 4.0 | Cc1cccc(C(=O)Nc2ccc(C[N+](C)(C)C3CCOCC3)cc2)c1 | 10.1016/j.bmcl.2007.01.115 | ||
CHEMBL245289 | 93294 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 353 | 5 | 1 | 2 | 4.0 | Cc1cccc(C(=O)Nc2ccc(C[N+](C)(C)C3CCOCC3)cc2)c1 | 10.1016/j.bmcl.2007.01.115 | ||
44439166 | 90517 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 595 | 12 | 5 | 7 | 4.7 | COC(=O)[C@H](CCCNC(=N)N)NC(=O)CCNc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
CHEMBL238731 | 90517 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 595 | 12 | 5 | 7 | 4.7 | COC(=O)[C@H](CCCNC(=N)N)NC(=O)CCNc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
11237256 | 73705 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 494 | 11 | 5 | 5 | 3.7 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(C(F)(F)F)ccc1N | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018398 | 73705 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 494 | 11 | 5 | 5 | 3.7 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(C(F)(F)F)ccc1N | 10.1016/j.bmcl.2012.03.007 | ||
46945254 | 65405 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 475 | 6 | 3 | 5 | 2.9 | Nc1cccnc1[C@H]1CC[C@H](N2CC(NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1 | 10.1016/j.bmcl.2011.06.080 | ||
CHEMBL1829626 | 65405 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 475 | 6 | 3 | 5 | 2.9 | Nc1cccnc1[C@H]1CC[C@H](N2CC(NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1 | 10.1016/j.bmcl.2011.06.080 | ||
89823575 | 126285 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 525 | 5 | 1 | 5 | 4.0 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccc2F)C1 | nan | ||
CHEMBL3650359 | 126285 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 525 | 5 | 1 | 5 | 4.0 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccc2F)C1 | nan | ||
89823628 | 126323 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 555 | 5 | 0 | 5 | 4.8 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(Cl)c(C(F)(F)F)c2)C1 | nan | ||
CHEMBL3650396 | 126323 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 555 | 5 | 0 | 5 | 4.8 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(Cl)c(C(F)(F)F)c2)C1 | nan | ||
11585168 | 90659 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 594 | 15 | 1 | 5 | 8.2 | CCCC(CCCN(CC)CC)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
CHEMBL239143 | 90659 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 594 | 15 | 1 | 5 | 8.2 | CCCC(CCCN(CC)CC)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
44442573 | 93514 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 521 | 10 | 4 | 5 | 2.7 | CN(C)c1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)cc1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL246404 | 93514 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 521 | 10 | 4 | 5 | 2.7 | CN(C)c1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)cc1 | 10.1016/j.bmcl.2007.07.028 | ||
44395125 | 123092 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 409 | 7 | 0 | 3 | 5.3 | N#Cc1ccc(CN2CCCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
CHEMBL361121 | 123092 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 409 | 7 | 0 | 3 | 5.3 | N#Cc1ccc(CN2CCCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
508727 | 155295 | 1 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 389 | 6 | 2 | 3 | 2.6 | O=C(CNC(=O)c1cccc(F)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL403058 | 155295 | 1 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 389 | 6 | 2 | 3 | 2.6 | O=C(CNC(=O)c1cccc(F)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
44415945 | 139524 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 618 | 8 | 1 | 2 | 8.4 | CC[C@H]1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | ||
CHEMBL379634 | 139524 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 618 | 8 | 1 | 2 | 8.4 | CC[C@H]1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | ||
127028592 | 137475 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 284 | 2 | 1 | 1 | 4.4 | C[C@@]1(c2ccc(Cl)c(Cl)c2)CCCC=C1C(=O)O | 10.1016/j.bmcl.2015.11.051 | ||
CHEMBL3754037 | 137475 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 284 | 2 | 1 | 1 | 4.4 | C[C@@]1(c2ccc(Cl)c(Cl)c2)CCCC=C1C(=O)O | 10.1016/j.bmcl.2015.11.051 | ||
11585168 | 90659 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 594 | 15 | 1 | 5 | 8.2 | CCCC(CCCN(CC)CC)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
CHEMBL239143 | 90659 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 594 | 15 | 1 | 5 | 8.2 | CCCC(CCCN(CC)CC)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
46241509 | 83533 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 506 | 7 | 3 | 6 | 2.5 | COc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml300260s | ||
CHEMBL2204244 | 83533 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 506 | 7 | 3 | 6 | 2.5 | COc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml300260s | ||
46945857 | 65401 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 461 | 6 | 2 | 5 | 2.8 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3cnccn3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
CHEMBL1829622 | 65401 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 461 | 6 | 2 | 5 | 2.8 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3cnccn3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
54754722 | 65722 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 439 | 6 | 3 | 6 | 2.4 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](CO)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834643 | 65722 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 439 | 6 | 3 | 6 | 2.4 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](CO)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
10030247 | 95379 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 542 | 6 | 1 | 4 | 6.2 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3ccncn3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
CHEMBL256954 | 95379 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 542 | 6 | 1 | 4 | 6.2 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3ccncn3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
44425634 | 141993 | 0 | None | - | 0 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 578 | 6 | 1 | 2 | 8.0 | CCC[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
CHEMBL387587 | 141993 | 0 | None | - | 0 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 578 | 6 | 1 | 2 | 8.0 | CCC[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
10240278 | 172873 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 654 | 10 | 4 | 6 | 5.4 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC2CCCC2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL451597 | 172873 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 654 | 10 | 4 | 6 | 5.4 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC2CCCC2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
69321774 | 73781 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 593 | 13 | 5 | 5 | 4.4 | CCC[C@H](O)[C@H](CN(C)Cc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018536 | 73781 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 593 | 13 | 5 | 5 | 4.4 | CCC[C@H](O)[C@H](CN(C)Cc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C | 10.1016/j.bmcl.2012.03.007 | ||
11844471 | 80170 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 618 | 8 | 1 | 2 | 8.4 | CCC1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CCC12C=Cc1ccccc12 | 10.1021/jm060439n | ||
CHEMBL213648 | 80170 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 618 | 8 | 1 | 2 | 8.4 | CCC1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CCC12C=Cc1ccccc12 | 10.1021/jm060439n | ||
71519053 | 86367 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 416 | 4 | 1 | 4 | 3.1 | COC1COCCC1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ccc(F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
CHEMBL2314051 | 86367 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 416 | 4 | 1 | 4 | 3.1 | COC1COCCC1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ccc(F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
11570045 | 90920 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 530 | 13 | 1 | 4 | 7.3 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2ccc(Cl)cc2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
CHEMBL239358 | 90920 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 530 | 13 | 1 | 4 | 7.3 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2ccc(Cl)cc2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
11570045 | 90920 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 530 | 13 | 1 | 4 | 7.3 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2ccc(Cl)cc2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
CHEMBL239358 | 90920 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 530 | 13 | 1 | 4 | 7.3 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2ccc(Cl)cc2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
46885028 | 8390 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 545 | 8 | 2 | 5 | 2.4 | Cc1ccccc1C(=O)N1CCN(CCN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1 | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL1093470 | 8390 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 545 | 8 | 2 | 5 | 2.4 | Cc1ccccc1C(=O)N1CCN(CCN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1 | 10.1016/j.bmcl.2010.02.072 | ||
89823601 | 126334 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 492 | 4 | 1 | 5 | 3.9 | C[C@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | ||
CHEMBL3650406 | 126334 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 492 | 4 | 1 | 5 | 3.9 | C[C@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | ||
70696470 | 75189 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 367 | 4 | 1 | 4 | 2.6 | N#Cc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C4CC4)C3)CC2)cc1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036769 | 75189 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 367 | 4 | 1 | 4 | 2.6 | N#Cc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C4CC4)C3)CC2)cc1 | 10.1016/j.bmcl.2012.04.118 | ||
72946775 | 105208 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 597 | 7 | 2 | 8 | 1.7 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCCNC(C)=O)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
CHEMBL3115109 | 105208 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 597 | 7 | 2 | 8 | 1.7 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCCNC(C)=O)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
71517401 | 86352 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 501 | 4 | 1 | 5 | 3.5 | COC1COCCC1N[C@@H]1C[C@H]2C[C@@H](Cl)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
CHEMBL2313773 | 86352 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 501 | 4 | 1 | 5 | 3.5 | COC1COCCC1N[C@@H]1C[C@H]2C[C@@H](Cl)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
51039119 | 176193 | 33 | None | - | 0 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 484 | 5 | 3 | 8 | 2.2 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3cc(C(C)(C)C)nn23)C1=O | 10.1021/acsmedchemlett.1c00373 | ||
CHEMBL4594419 | 176193 | 33 | None | - | 0 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 484 | 5 | 3 | 8 | 2.2 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3cc(C(C)(C)C)nn23)C1=O | 10.1021/acsmedchemlett.1c00373 | ||
46241826 | 83532 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 490 | 6 | 3 | 5 | 2.8 | Cc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml300260s | ||
CHEMBL2204243 | 83532 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 490 | 6 | 3 | 5 | 2.8 | Cc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml300260s | ||
56667036 | 65397 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 460 | 6 | 2 | 4 | 3.4 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3cccnc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
CHEMBL1829618 | 65397 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 460 | 6 | 2 | 4 | 3.4 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3cccnc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
44447789 | 155198 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 600 | 7 | 3 | 4 | 6.2 | CC(C)(O)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cccc(C(=O)O)c3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
CHEMBL402624 | 155198 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 600 | 7 | 3 | 4 | 6.2 | CC(C)(O)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cccc(C(=O)O)c3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
44453472 | 155514 | 1 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 454 | 6 | 3 | 4 | 3.1 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL404259 | 155514 | 1 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 454 | 6 | 3 | 4 | 3.1 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
44425640 | 96900 | 0 | None | - | 0 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 576 | 5 | 1 | 2 | 7.6 | C[C@H]1CN(C2CCC(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C3CC3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
CHEMBL266017 | 96900 | 0 | None | - | 0 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 576 | 5 | 1 | 2 | 7.6 | C[C@H]1CN(C2CCC(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C3CC3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
11844470 | 141711 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 604 | 7 | 1 | 2 | 8.0 | CC1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CCC12C=Cc1ccccc12 | 10.1021/jm060439n | ||
CHEMBL385824 | 141711 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 604 | 7 | 1 | 2 | 8.0 | CC1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CCC12C=Cc1ccccc12 | 10.1021/jm060439n | ||
11456448 | 77616 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 640 | 10 | 2 | 5 | 6.2 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)[C@H](CS(=O)(=O)c2ccc(Cc3ccccc3)cc2)C1 | 10.1016/j.bmcl.2012.08.002 | ||
CHEMBL2088385 | 77616 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 640 | 10 | 2 | 5 | 6.2 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)[C@H](CS(=O)(=O)c2ccc(Cc3ccccc3)cc2)C1 | 10.1016/j.bmcl.2012.08.002 | ||
53321427 | 58436 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 511 | 7 | 1 | 5 | 4.3 | CCO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
CHEMBL1683069 | 58436 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 511 | 7 | 1 | 5 | 4.3 | CCO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
89823598 | 126339 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 506 | 5 | 1 | 5 | 4.2 | CC[C@@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | ||
CHEMBL3650410 | 126339 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 506 | 5 | 1 | 5 | 4.2 | CC[C@@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | ||
44395094 | 67227 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 528 | 8 | 2 | 6 | 4.3 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3cccc(O)c3)c3cccc(Cl)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
CHEMBL188075 | 67227 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 528 | 8 | 2 | 6 | 4.3 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3cccc(O)c3)c3cccc(Cl)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
46886057 | 8367 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 639 | 9 | 1 | 6 | 5.5 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2N2CCC(C)(NC(=O)c3cccc(C(F)(F)F)c3)C2=O)cc1 | 10.1016/j.bmcl.2010.03.035 | ||
CHEMBL1093319 | 8367 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 639 | 9 | 1 | 6 | 5.5 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2N2CCC(C)(NC(=O)c3cccc(C(F)(F)F)c3)C2=O)cc1 | 10.1016/j.bmcl.2010.03.035 | ||
44612589 | 137407 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 332 | 2 | 1 | 1 | 5.1 | C[C@@H]1CC=C(C(=O)O)[C@@](C)(c2ccc(Cl)c(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
CHEMBL3753491 | 137407 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 332 | 2 | 1 | 1 | 5.1 | C[C@@H]1CC=C(C(=O)O)[C@@](C)(c2ccc(Cl)c(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
44444000 | 94482 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 464 | 8 | 1 | 2 | 6.4 | O=C(/C=C/c1cc(Cl)cc(Cl)c1)NCCCCN1CCC(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.07.065 | ||
CHEMBL251620 | 94482 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 464 | 8 | 1 | 2 | 6.4 | O=C(/C=C/c1cc(Cl)cc(Cl)c1)NCCCCN1CCC(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.07.065 | ||
44395254 | 66212 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 564 | 10 | 1 | 7 | 4.1 | CN(C)c1ccc(C(O)(CCN2CCCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)c2ccc(N(C)C)cc2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
CHEMBL184582 | 66212 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 564 | 10 | 1 | 7 | 4.1 | CN(C)c1ccc(C(O)(CCN2CCCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)c2ccc(N(C)C)cc2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
10153431 | 188305 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 643 | 9 | 3 | 7 | 5.7 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL500786 | 188305 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 643 | 9 | 3 | 7 | 5.7 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
11641253 | 58423 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 464 | 5 | 1 | 3 | 5.3 | CC(C)[C@]1(C(=O)N2CC=C(c3cccc(C(F)(F)F)c3)CC2)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.015 | ||
CHEMBL1683054 | 58423 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 464 | 5 | 1 | 3 | 5.3 | CC(C)[C@]1(C(=O)N2CC=C(c3cccc(C(F)(F)F)c3)CC2)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.015 | ||
53324140 | 58432 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 495 | 6 | 1 | 4 | 5.0 | CC[C@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
CHEMBL1683065 | 58432 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 495 | 6 | 1 | 4 | 5.0 | CC[C@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
89823656 | 126329 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 546 | 5 | 0 | 6 | 4.1 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(C#N)c(C(F)(F)F)c2)C1 | nan | ||
CHEMBL3650401 | 126329 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 546 | 5 | 0 | 6 | 4.1 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(C#N)c(C(F)(F)F)c2)C1 | nan | ||
53318854 | 58439 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 511 | 7 | 1 | 5 | 4.2 | COC[C@H]1COCC[C@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
CHEMBL1683072 | 58439 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 511 | 7 | 1 | 5 | 4.2 | COC[C@H]1COCC[C@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
9852285 | 8228 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 634 | 7 | 3 | 6 | 5.8 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2N2CC[C@H](NC(=O)c3cc(C(F)(F)F)ccc3NC(=O)OC(C)(C)C)C2=O)cc1 | 10.1016/j.bmcl.2010.03.035 | ||
CHEMBL1092434 | 8228 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 634 | 7 | 3 | 6 | 5.8 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2N2CC[C@H](NC(=O)c3cc(C(F)(F)F)ccc3NC(=O)OC(C)(C)C)C2=O)cc1 | 10.1016/j.bmcl.2010.03.035 | ||
44415942 | 138656 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 534 | 8 | 2 | 3 | 5.7 | CC(O)C(CCN1CCC(c2ccc(F)cc2)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | ||
CHEMBL377819 | 138656 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 534 | 8 | 2 | 3 | 5.7 | CC(O)C(CCN1CCC(c2ccc(F)cc2)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | ||
53326700 | 58433 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 495 | 6 | 1 | 4 | 5.0 | CC[C@@H]1COCC[C@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
CHEMBL1683066 | 58433 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 495 | 6 | 1 | 4 | 5.0 | CC[C@@H]1COCC[C@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
22143314 | 193178 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 522 | 8 | 3 | 5 | 3.1 | CSc1ccc(CNC2CCN(C(C)=O)CC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
CHEMBL523403 | 193178 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 522 | 8 | 3 | 5 | 3.1 | CSc1ccc(CNC2CCN(C(C)=O)CC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
122181236 | 121825 | 0 | None | - | 0 | Mouse | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 588 | 8 | 1 | 4 | 6.3 | COc1ccc2c(c1)CCOC21CCN(CCC(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CC1 | 10.1016/j.bmc.2015.02.019 | ||
CHEMBL3589950 | 121825 | 0 | None | - | 0 | Mouse | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 588 | 8 | 1 | 4 | 6.3 | COc1ccc2c(c1)CCOC21CCN(CCC(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CC1 | 10.1016/j.bmc.2015.02.019 | ||
44593561 | 12631 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 452 | 6 | 2 | 3 | 4.5 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2COC2)C1 | 10.1007/s00044-010-9501-4 | ||
CHEMBL1187238 | 12631 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 452 | 6 | 2 | 3 | 4.5 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2COC2)C1 | 10.1007/s00044-010-9501-4 | ||
CHEMBL494580 | 12631 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 452 | 6 | 2 | 3 | 4.5 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2COC2)C1 | 10.1007/s00044-010-9501-4 | ||
44593561 | 12631 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 452 | 6 | 2 | 3 | 4.5 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2COC2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
CHEMBL1187238 | 12631 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 452 | 6 | 2 | 3 | 4.5 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2COC2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
CHEMBL494580 | 12631 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 452 | 6 | 2 | 3 | 4.5 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2COC2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
44415992 | 80580 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 538 | 7 | 1 | 2 | 7.1 | CC(C)[C@H](CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | ||
CHEMBL215093 | 80580 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 538 | 7 | 1 | 2 | 7.1 | CC(C)[C@H](CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | ||
52950180 | 19318 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 545 | 10 | 2 | 4 | 5.1 | CCCCO[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
CHEMBL1290754 | 19318 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 545 | 10 | 2 | 4 | 5.1 | CCCCO[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
44442576 | 93516 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 522 | 10 | 4 | 5 | 2.9 | COc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL246406 | 93516 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 522 | 10 | 4 | 5 | 2.9 | COc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
44423285 | 142141 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 536 | 4 | 1 | 2 | 7.0 | C[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC3(C=Cc4ccccc43)CC2)C1 | 10.1021/jm070166b | ||
CHEMBL388380 | 142141 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 536 | 4 | 1 | 2 | 7.0 | C[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC3(C=Cc4ccccc43)CC2)C1 | 10.1021/jm070166b | ||
89823445 | 126325 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 546 | 5 | 0 | 6 | 4.1 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccc2C#N)C1 | nan | ||
CHEMBL3650398 | 126325 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 546 | 5 | 0 | 6 | 4.1 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccc2C#N)C1 | nan | ||
57344295 | 130599 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 541 | 6 | 4 | 3 | 5.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 | nan | ||
CHEMBL3681872 | 130599 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 541 | 6 | 4 | 3 | 5.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 | nan | ||
23656067 | 148963 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 481 | 5 | 1 | 2 | 5.7 | O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC(CN2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
CHEMBL394228 | 148963 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 481 | 5 | 1 | 2 | 5.7 | O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC(CN2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
23656067 | 148963 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 481 | 5 | 1 | 2 | 5.7 | O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC(CN2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1021/jm070902b | ||
CHEMBL394228 | 148963 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 481 | 5 | 1 | 2 | 5.7 | O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC(CN2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1021/jm070902b | ||
86698131 | 126280 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 582 | 5 | 1 | 5 | 5.4 | O=C(O)c1cccc(C2CCN([C@H]3C[C@H]4CCC[C@@]4(C(=O)N4C[C@@H]5C[C@H]4CN5c4cc(C(F)(F)F)ccn4)C3)CC2)c1 | nan | ||
CHEMBL3650354 | 126280 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 582 | 5 | 1 | 5 | 5.4 | O=C(O)c1cccc(C2CCN([C@H]3C[C@H]4CCC[C@@]4(C(=O)N4C[C@@H]5C[C@H]4CN5c4cc(C(F)(F)F)ccn4)C3)CC2)c1 | nan | ||
44439160 | 169373 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 580 | 11 | 4 | 6 | 4.9 | COC(=O)[C@H](CCCNC(=N)N)NC(=O)CCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
CHEMBL442254 | 169373 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 580 | 11 | 4 | 6 | 4.9 | COC(=O)[C@H](CCCNC(=N)N)NC(=O)CCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
44439160 | 169373 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 580 | 11 | 4 | 6 | 4.9 | COC(=O)[C@H](CCCNC(=N)N)NC(=O)CCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
CHEMBL442254 | 169373 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 580 | 11 | 4 | 6 | 4.9 | COC(=O)[C@H](CCCNC(=N)N)NC(=O)CCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
25267738 | 93841 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 339 | 5 | 1 | 2 | 3.7 | C[N+](C)(Cc1ccc(NC(=O)c2ccccc2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
CHEMBL247949 | 93841 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 339 | 5 | 1 | 2 | 3.7 | C[N+](C)(Cc1ccc(NC(=O)c2ccccc2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
22311005 | 19950 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 458 | 5 | 1 | 4 | 5.1 | O=C(NS(=O)(=O)c1ccccc1)c1cc2ccccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
CHEMBL130318 | 19950 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 458 | 5 | 1 | 4 | 5.1 | O=C(NS(=O)(=O)c1ccccc1)c1cc2ccccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
44415864 | 80517 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 554 | 7 | 2 | 3 | 6.0 | CC(O)C(CCN1CC[C@@]2(C=Cc3ccccc32)[C@@H](C)C1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | ||
CHEMBL214825 | 80517 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 554 | 7 | 2 | 3 | 6.0 | CC(O)C(CCN1CC[C@@]2(C=Cc3ccccc32)[C@@H](C)C1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | ||
10164316 | 154768 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 506 | 9 | 4 | 4 | 3.2 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL400196 | 154768 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 506 | 9 | 4 | 4 | 3.2 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
56683120 | 65777 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 476 | 6 | 2 | 7 | 3.5 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4ncco4)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834849 | 65777 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 476 | 6 | 2 | 7 | 3.5 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4ncco4)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
44449229 | 95119 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 538 | 7 | 1 | 3 | 5.6 | CN(C)CC(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
CHEMBL255687 | 95119 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 538 | 7 | 1 | 3 | 5.6 | CN(C)CC(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
44453134 | 98036 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 455 | 7 | 2 | 4 | 3.4 | O=C(CNC(=O)c1cccc(OC(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL273195 | 98036 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 455 | 7 | 2 | 4 | 3.4 | O=C(CNC(=O)c1cccc(OC(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
11155781 | 73780 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 476 | 10 | 4 | 4 | 4.2 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)Cc1nc2c(C(F)(F)F)cccc2[nH]1 | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018534 | 73780 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 476 | 10 | 4 | 4 | 4.2 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)Cc1nc2c(C(F)(F)F)cccc2[nH]1 | 10.1016/j.bmcl.2012.03.007 | ||
46241610 | 83541 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 548 | 7 | 3 | 6 | 3.6 | CC(C)(C)Oc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml300260s | ||
CHEMBL2204252 | 83541 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 548 | 7 | 3 | 6 | 3.6 | CC(C)(C)Oc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml300260s | ||
71519381 | 86344 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 467 | 4 | 1 | 5 | 3.3 | CO[C@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
CHEMBL2313765 | 86344 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 467 | 4 | 1 | 5 | 3.3 | CO[C@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
89823417 | 126319 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 498 | 5 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(Cl)c(C#N)c2)C1 | nan | ||
CHEMBL3650392 | 126319 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 498 | 5 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(Cl)c(C#N)c2)C1 | nan | ||
44442563 | 93705 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 520 | 9 | 3 | 5 | 2.2 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)N2CCOCC2)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL247211 | 93705 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 520 | 9 | 3 | 5 | 2.2 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)N2CCOCC2)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
57344221 | 68928 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 568 | 8 | 3 | 4 | 5.5 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc(OC(F)(F)F)cc2)CC1 | nan | ||
CHEMBL1922819 | 68928 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 568 | 8 | 3 | 4 | 5.5 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc(OC(F)(F)F)cc2)CC1 | nan | ||
54772203 | 86562 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 484 | 6 | 2 | 6 | 4.0 | O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3cccnc3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | ||
CHEMBL2315931 | 86562 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 484 | 6 | 2 | 6 | 4.0 | O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3cccnc3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | ||
54771980 | 86565 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 484 | 6 | 2 | 6 | 4.0 | O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccccn3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | ||
CHEMBL2315934 | 86565 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 484 | 6 | 2 | 6 | 4.0 | O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccccn3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | ||
71190126 | 84872 | 1 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 469 | 5 | 1 | 5 | 3.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)(C(C)C)C1 | 10.1007/s00044-010-9497-9 | ||
CHEMBL2236475 | 84872 | 1 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 469 | 5 | 1 | 5 | 3.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)(C(C)C)C1 | 10.1007/s00044-010-9497-9 | ||
56643545 | 130597 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(N[C@H]1CC[C@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | nan | ||
CHEMBL3681870 | 130597 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(N[C@H]1CC[C@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | nan | ||
57344303 | 130622 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 538 | 7 | 3 | 3 | 5.0 | NC(=O)C(N[C@H]1CC[C@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | ||
CHEMBL3681894 | 130622 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 538 | 7 | 3 | 3 | 5.0 | NC(=O)C(N[C@H]1CC[C@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | ||
11591776 | 145461 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 525 | 6 | 2 | 3 | 5.2 | O=C(O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
CHEMBL391459 | 145461 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 525 | 6 | 2 | 3 | 5.2 | O=C(O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
11185 | 1978 | 42 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 495 | 5 | 2 | 6 | 4.4 | Cc1cnc(c(c1)NS(=O)(=O)c1ccc(c(c1)C(F)(F)F)Cl)C(=O)c1ncnc2c1cc[nH]2 | 10.1021/jm300682j | ||
25134303 | 1978 | 42 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 495 | 5 | 2 | 6 | 4.4 | Cc1cnc(c(c1)NS(=O)(=O)c1ccc(c(c1)C(F)(F)F)Cl)C(=O)c1ncnc2c1cc[nH]2 | 10.1021/jm300682j | ||
CHEMBL2178573 | 1978 | 42 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 495 | 5 | 2 | 6 | 4.4 | Cc1cnc(c(c1)NS(=O)(=O)c1ccc(c(c1)C(F)(F)F)Cl)C(=O)c1ncnc2c1cc[nH]2 | 10.1021/jm300682j | ||
DB16066 | 1978 | 42 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 495 | 5 | 2 | 6 | 4.4 | Cc1cnc(c(c1)NS(=O)(=O)c1ccc(c(c1)C(F)(F)F)Cl)C(=O)c1ncnc2c1cc[nH]2 | 10.1021/jm300682j | ||
11598084 | 75175 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 474 | 6 | 1 | 3 | 5.1 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCCN(CCc3ccccc3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036755 | 75175 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 474 | 6 | 1 | 3 | 5.1 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCCN(CCc3ccccc3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
10162782 | 73677 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 479 | 11 | 4 | 4 | 3.5 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018370 | 73677 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 479 | 11 | 4 | 4 | 3.5 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
70691784 | 73678 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 493 | 12 | 4 | 4 | 3.9 | CCCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018371 | 73678 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 493 | 12 | 4 | 4 | 3.9 | CCCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
46241010 | 83555 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 540 | 8 | 3 | 7 | 3.3 | CC(C)Oc1ncc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)s1 | 10.1021/ml300260s | ||
CHEMBL2204266 | 83555 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 540 | 8 | 3 | 7 | 3.3 | CC(C)Oc1ncc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)s1 | 10.1021/ml300260s | ||
49763568 | 65385 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 503 | 6 | 2 | 5 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@H](c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
CHEMBL1829605 | 65385 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 503 | 6 | 2 | 5 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@H](c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
56657930 | 65763 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 528 | 7 | 2 | 6 | 4.6 | CN(C)c1cccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)c1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834786 | 65763 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 528 | 7 | 2 | 6 | 4.6 | CN(C)c1cccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)c1 | 10.1016/j.bmcl.2011.08.074 | ||
56683116 | 65776 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 534 | 7 | 2 | 7 | 5.1 | CC(C)c1ncc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)s1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834799 | 65776 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 534 | 7 | 2 | 7 | 5.1 | CC(C)c1ncc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)s1 | 10.1016/j.bmcl.2011.08.074 | ||
89845031 | 109786 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 533 | 8 | 1 | 6 | 2.8 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(OC(F)(F)F)c3)C2=O)[C@H](CS(C)(=O)=O)C1 | 10.1016/j.bmcl.2014.02.013 | ||
CHEMBL3233183 | 109786 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 533 | 8 | 1 | 6 | 2.8 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(OC(F)(F)F)c3)C2=O)[C@H](CS(C)(=O)=O)C1 | 10.1016/j.bmcl.2014.02.013 | ||
9850318 | 95216 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 542 | 6 | 1 | 4 | 6.2 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cncnc3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
CHEMBL256154 | 95216 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 542 | 6 | 1 | 4 | 6.2 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cncnc3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
44425646 | 86071 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 528 | 6 | 1 | 2 | 7.1 | CCCC1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
CHEMBL231038 | 86071 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 528 | 6 | 1 | 2 | 7.1 | CCCC1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
53317027 | 58636 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 435 | 4 | 1 | 5 | 3.2 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.052 | ||
CHEMBL1684683 | 58636 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 435 | 4 | 1 | 5 | 3.2 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.052 | ||
44425645 | 86053 | 0 | None | - | 0 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 528 | 5 | 1 | 2 | 7.0 | CC(C)[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
CHEMBL230933 | 86053 | 0 | None | - | 0 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 528 | 5 | 1 | 2 | 7.0 | CC(C)[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
10162782 | 73677 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 479 | 11 | 4 | 4 | 3.5 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | ||
CHEMBL2018370 | 73677 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 479 | 11 | 4 | 4 | 3.5 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | ||
11591776 | 145461 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 525 | 6 | 2 | 3 | 5.2 | O=C(O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
CHEMBL391459 | 145461 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 525 | 6 | 2 | 3 | 5.2 | O=C(O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
24801690 | 98013 | 25 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 593 | 9 | 5 | 5 | 4.5 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL273083 | 98013 | 25 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 593 | 9 | 5 | 5 | 4.5 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
10008367 | 2009 | 50 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@@H]1CC[C@](CC1)(O)c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2010.10.020 | ||
777 | 2009 | 50 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@@H]1CC[C@](CC1)(O)c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2010.10.020 | ||
CHEMBL1289316 | 2009 | 50 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@@H]1CC[C@](CC1)(O)c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2010.10.020 | ||
CHEMBL2426341 | 2009 | 50 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@@H]1CC[C@](CC1)(O)c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2010.10.020 | ||
24801690 | 98013 | 25 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 593 | 9 | 5 | 5 | 4.5 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)cc1 | 10.1021/jm701488f | ||
CHEMBL273083 | 98013 | 25 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 593 | 9 | 5 | 5 | 4.5 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)cc1 | 10.1021/jm701488f | ||
57656833 | 75200 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 427 | 3 | 2 | 4 | 2.4 | CC(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036782 | 75200 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 427 | 3 | 2 | 4 | 2.4 | CC(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
68767109 | 109785 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 531 | 7 | 1 | 5 | 3.3 | Cc1ccc(C(=O)N[C@H]2CCN([C@H]3CC[C@@H](N(C)C(C)C)C[C@H]3CS(C)(=O)=O)C2=O)cc1C(F)(F)F | 10.1016/j.bmcl.2014.02.013 | ||
CHEMBL3233182 | 109785 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 531 | 7 | 1 | 5 | 3.3 | Cc1ccc(C(=O)N[C@H]2CCN([C@H]3CC[C@@H](N(C)C(C)C)C[C@H]3CS(C)(=O)=O)C2=O)cc1C(F)(F)F | 10.1016/j.bmcl.2014.02.013 | ||
57400451 | 70478 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 539 | 9 | 3 | 5 | 3.6 | CC(C)N[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2011.12.057 | ||
CHEMBL1946830 | 70478 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 539 | 9 | 3 | 5 | 3.6 | CC(C)N[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2011.12.057 | ||
44425249 | 143497 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 612 | 9 | 2 | 5 | 6.8 | CC(=O)Nc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
CHEMBL389888 | 143497 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 612 | 9 | 2 | 5 | 6.8 | CC(=O)Nc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
11192346 | 2011 | 57 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
9032 | 2011 | 57 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
CHEMBL2029422 | 2011 | 57 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
10165625 | 73699 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 536 | 13 | 5 | 5 | 4.3 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(C)C | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018392 | 73699 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 536 | 13 | 5 | 5 | 4.3 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(C)C | 10.1016/j.bmcl.2012.03.007 | ||
44453365 | 97499 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 465 | 7 | 4 | 6 | 2.0 | COc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1N | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL270435 | 97499 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 465 | 7 | 4 | 6 | 2.0 | COc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1N | 10.1016/j.bmcl.2008.02.015 | ||
11227168 | 74521 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 596 | 6 | 2 | 9 | 3.6 | O=C(C1CCN(c2nccc(C(F)(F)F)n2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | ||
CHEMBL2029569 | 74521 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 596 | 6 | 2 | 9 | 3.6 | O=C(C1CCN(c2nccc(C(F)(F)F)n2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | ||
44573650 | 193186 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 564 | 6 | 3 | 4 | 5.2 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2(O)C(F)(F)F)C1 | 10.1007/s00044-010-9501-4 | ||
CHEMBL523503 | 193186 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 564 | 6 | 3 | 4 | 5.2 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2(O)C(F)(F)F)C1 | 10.1007/s00044-010-9501-4 | ||
44425648 | 168680 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 540 | 6 | 1 | 2 | 7.1 | C[C@H]1CN(C2CCC(CC3CC3)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
CHEMBL436796 | 168680 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 540 | 6 | 1 | 2 | 7.1 | C[C@H]1CN(C2CCC(CC3CC3)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
44573649 | 187211 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 548 | 6 | 2 | 3 | 6.1 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2C(F)(F)F)C1 | 10.1016/j.bmcl.2008.12.050 | ||
CHEMBL492569 | 187211 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 548 | 6 | 2 | 3 | 6.1 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2C(F)(F)F)C1 | 10.1016/j.bmcl.2008.12.050 | ||
67011331 | 74516 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 557 | 7 | 3 | 7 | 3.5 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncco4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
CHEMBL2029424 | 74516 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 557 | 7 | 3 | 7 | 3.5 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncco4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
44593563 | 193086 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 508 | 7 | 2 | 3 | 5.9 | CCC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | ||
CHEMBL522688 | 193086 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 508 | 7 | 2 | 3 | 5.9 | CCC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | ||
53324304 | 58434 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 497 | 6 | 1 | 5 | 3.9 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
CHEMBL1683067 | 58434 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 497 | 6 | 1 | 5 | 3.9 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
11387511 | 74512 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 567 | 7 | 3 | 6 | 3.9 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ccncc4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
CHEMBL2029419 | 74512 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 567 | 7 | 3 | 6 | 3.9 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ccncc4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
10167417 | 73696 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 591 | 12 | 5 | 5 | 4.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)N1CCCC1 | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018389 | 73696 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 591 | 12 | 5 | 5 | 4.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)N1CCCC1 | 10.1016/j.bmcl.2012.03.007 | ||
44583281 | 188211 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 626 | 9 | 3 | 6 | 4.5 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCC2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL499467 | 188211 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 626 | 9 | 3 | 6 | 4.5 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCC2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
44425310 | 142333 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 651 | 8 | 3 | 5 | 6.8 | CNC(=O)Nc1nc([C@@H](CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
CHEMBL388868 | 142333 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 651 | 8 | 3 | 5 | 6.8 | CNC(=O)Nc1nc([C@@H](CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
11285792 | 876 | 34 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 696 | 17 | 1 | 7 | 8.7 | CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC | 10.1021/jm300682j | ||
801 | 876 | 34 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 696 | 17 | 1 | 7 | 8.7 | CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC | 10.1021/jm300682j | ||
CHEMBL2110727 | 876 | 34 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 696 | 17 | 1 | 7 | 8.7 | CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC | 10.1021/jm300682j | ||
DB11758 | 876 | 34 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 696 | 17 | 1 | 7 | 8.7 | CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC | 10.1021/jm300682j | ||
11285792 | 876 | 34 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 696 | 17 | 1 | 7 | 8.7 | CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC | 10.1021/jm0509703 | ||
801 | 876 | 34 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 696 | 17 | 1 | 7 | 8.7 | CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC | 10.1021/jm0509703 | ||
CHEMBL2110727 | 876 | 34 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 696 | 17 | 1 | 7 | 8.7 | CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC | 10.1021/jm0509703 | ||
DB11758 | 876 | 34 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 696 | 17 | 1 | 7 | 8.7 | CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC | 10.1021/jm0509703 | ||
11285792 | 876 | 34 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 696 | 17 | 1 | 7 | 8.7 | CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC | 10.1021/acs.jmedchem.9b01701 | ||
801 | 876 | 34 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 696 | 17 | 1 | 7 | 8.7 | CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC | 10.1021/acs.jmedchem.9b01701 | ||
CHEMBL2110727 | 876 | 34 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 696 | 17 | 1 | 7 | 8.7 | CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC | 10.1021/acs.jmedchem.9b01701 | ||
DB11758 | 876 | 34 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 696 | 17 | 1 | 7 | 8.7 | CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC | 10.1021/acs.jmedchem.9b01701 | ||
44573649 | 187211 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 548 | 6 | 2 | 3 | 6.1 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2C(F)(F)F)C1 | 10.1007/s00044-010-9501-4 | ||
CHEMBL492569 | 187211 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 548 | 6 | 2 | 3 | 6.1 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2C(F)(F)F)C1 | 10.1007/s00044-010-9501-4 | ||
11534473 | 90670 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 594 | 14 | 1 | 5 | 8.0 | CCN(CC)CCCC(NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1)C(C)C | 10.1016/j.ejmech.2010.04.024 | ||
CHEMBL239144 | 90670 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 594 | 14 | 1 | 5 | 8.0 | CCN(CC)CCCC(NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1)C(C)C | 10.1016/j.ejmech.2010.04.024 | ||
71552261 | 86570 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 573 | 6 | 3 | 7 | 4.8 | O=C(CNc1cc(C(F)(F)F)nc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@](O)(c3cncs3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | ||
CHEMBL2315939 | 86570 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 573 | 6 | 3 | 7 | 4.8 | O=C(CNc1cc(C(F)(F)F)nc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@](O)(c3cncs3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | ||
11526729 | 155038 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 541 | 7 | 2 | 4 | 5.1 | COc1ccc2c(C3CCN(C(CO)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c[nH]c2c1 | 10.1016/j.bmcl.2008.05.010 | ||
CHEMBL401744 | 155038 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 541 | 7 | 2 | 4 | 5.1 | COc1ccc2c(C3CCN(C(CO)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c[nH]c2c1 | 10.1016/j.bmcl.2008.05.010 | ||
44448776 | 155232 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 572 | 6 | 3 | 5 | 5.7 | COC(=O)c1ccc2[nH]cc(C3CCN(C(CO)C4CCN(C(=O)Nc5ccc(Cl)c(Cl)c5)CC4)CC3)c2c1 | 10.1016/j.bmcl.2008.05.010 | ||
CHEMBL402801 | 155232 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 572 | 6 | 3 | 5 | 5.7 | COC(=O)c1ccc2[nH]cc(C3CCN(C(CO)C4CCN(C(=O)Nc5ccc(Cl)c(Cl)c5)CC4)CC3)c2c1 | 10.1016/j.bmcl.2008.05.010 | ||
57656825 | 75179 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 394 | 4 | 1 | 3 | 3.5 | O=C(Nc1ccc(F)c(Cl)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036759 | 75179 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 394 | 4 | 1 | 3 | 3.5 | O=C(Nc1ccc(F)c(Cl)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
46241608 | 83540 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 534 | 8 | 3 | 6 | 3.2 | CC(C)Oc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml300260s | ||
CHEMBL2204251 | 83540 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 534 | 8 | 3 | 6 | 3.2 | CC(C)Oc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml300260s | ||
46886482 | 8227 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 608 | 8 | 4 | 6 | 5.4 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)cc1 | 10.1016/j.bmcl.2010.03.035 | ||
CHEMBL1092433 | 8227 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 608 | 8 | 4 | 6 | 5.4 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)cc1 | 10.1016/j.bmcl.2010.03.035 | ||
10482463 | 95433 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 542 | 6 | 1 | 4 | 6.2 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cccnn3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
CHEMBL257160 | 95433 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 542 | 6 | 1 | 4 | 6.2 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cccnn3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
183790 | 3715 | 11 | None | -6 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.ejmech.2017.04.046 | ||
783 | 3715 | 11 | None | -6 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.ejmech.2017.04.046 | ||
CHEMBL1178786 | 3715 | 11 | None | -6 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.ejmech.2017.04.046 | ||
11671120 | 89851 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 543 | 6 | 2 | 3 | 5.3 | O=C(O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccc(F)cc23)CC1 | 10.1021/jm070902b | ||
CHEMBL237805 | 89851 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 543 | 6 | 2 | 3 | 5.3 | O=C(O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccc(F)cc23)CC1 | 10.1021/jm070902b | ||
22310995 | 20298 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 334 | 3 | 2 | 3 | 4.3 | Nc1ccc2c(c1)cc(C(=O)O)n2Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
CHEMBL130598 | 20298 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 334 | 3 | 2 | 3 | 4.3 | Nc1ccc2c(c1)cc(C(=O)O)n2Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
17866152 | 124013 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 507 | 9 | 2 | 6 | 4.0 | CNc1cccc(C(O)(CCN2CCCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)c2ccccc2)c1 | 10.1016/j.bmcl.2004.08.008 | ||
CHEMBL363059 | 124013 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 507 | 9 | 2 | 6 | 4.0 | CNc1cccc(C(O)(CCN2CCCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)c2ccccc2)c1 | 10.1016/j.bmcl.2004.08.008 | ||
44395239 | 66123 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 412 | 9 | 1 | 3 | 4.7 | O=C(CCCC(=O)c1ccccc1)NCC1CCN(Cc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2004.08.009 | ||
CHEMBL184220 | 66123 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 412 | 9 | 1 | 3 | 4.7 | O=C(CCCC(=O)c1ccccc1)NCC1CCN(Cc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2004.08.009 | ||
46886056 | 8366 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 607 | 10 | 1 | 5 | 5.2 | CCCN(C(C)C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2010.03.035 | ||
CHEMBL1093318 | 8366 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 607 | 10 | 1 | 5 | 5.2 | CCCN(C(C)C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2010.03.035 | ||
11466237 | 74509 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 504 | 6 | 3 | 5 | 3.2 | Cc1cccc([C@]2(O)CC[C@H](N[C@H]3CCN(C(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)n1 | 10.1021/ml200199c | ||
CHEMBL2029416 | 74509 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 504 | 6 | 3 | 5 | 3.2 | Cc1cccc([C@]2(O)CC[C@H](N[C@H]3CCN(C(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)n1 | 10.1021/ml200199c | ||
52944966 | 19008 | 0 | None | - | 0 | Mouse | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 579 | 9 | 2 | 4 | 5.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1OCc1ccccc1 | 10.1016/j.bmcl.2010.10.020 | ||
CHEMBL1288324 | 19008 | 0 | None | - | 0 | Mouse | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 579 | 9 | 2 | 4 | 5.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1OCc1ccccc1 | 10.1016/j.bmcl.2010.10.020 | ||
44573609 | 187529 | 1 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 496 | 6 | 3 | 4 | 4.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2O)C1 | 10.1016/j.bmcl.2008.12.050 | ||
CHEMBL494542 | 187529 | 1 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 496 | 6 | 3 | 4 | 4.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2O)C1 | 10.1016/j.bmcl.2008.12.050 | ||
44593564 | 187208 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 498 | 6 | 2 | 3 | 5.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2F)C1 | 10.1007/s00044-010-9501-4 | ||
CHEMBL492564 | 187208 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 498 | 6 | 2 | 3 | 5.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2F)C1 | 10.1007/s00044-010-9501-4 | ||
11296618 | 77615 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 632 | 9 | 2 | 6 | 6.3 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)[C@H](CS(=O)(=O)c2ccc(-c3cccs3)cc2)C1 | 10.1016/j.bmcl.2012.08.002 | ||
CHEMBL2088384 | 77615 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 632 | 9 | 2 | 6 | 6.3 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)[C@H](CS(=O)(=O)c2ccc(-c3cccs3)cc2)C1 | 10.1016/j.bmcl.2012.08.002 | ||
89823450 | 126320 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 562 | 4 | 0 | 4 | 6.2 | N#Cc1ccc(C(F)(F)F)cc1N1C[C@@H]2C[C@H]1CN2C(=O)[C@@]12CCC[C@@H]1C[C@@H](N1CCC(c3ccccc3)CC1)C2 | nan | ||
CHEMBL3650393 | 126320 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 562 | 4 | 0 | 4 | 6.2 | N#Cc1ccc(C(F)(F)F)cc1N1C[C@@H]2C[C@H]1CN2C(=O)[C@@]12CCC[C@@H]1C[C@@H](N1CCC(c3ccccc3)CC1)C2 | nan | ||
56678497 | 65688 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 472 | 6 | 2 | 4 | 4.5 | O=C(COc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834581 | 65688 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 472 | 6 | 2 | 4 | 4.5 | O=C(COc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
54754845 | 65721 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 452 | 6 | 3 | 6 | 1.8 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](C(N)=O)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834642 | 65721 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 452 | 6 | 3 | 6 | 1.8 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](C(N)=O)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
44444102 | 94006 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 472 | 5 | 1 | 3 | 5.8 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(CN2CCC(c3ccc(O)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.07.065 | ||
CHEMBL248813 | 94006 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 472 | 5 | 1 | 3 | 5.8 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(CN2CCC(c3ccc(O)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.07.065 | ||
44425321 | 86107 | 0 | None | - | 0 | Mouse | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 740 | 10 | 2 | 5 | 9.0 | CC(C(=O)Nc1nc(C(CCN2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1)c1ccccc1 | 10.1016/j.bmcl.2006.10.059 | ||
CHEMBL231150 | 86107 | 0 | None | - | 0 | Mouse | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 740 | 10 | 2 | 5 | 9.0 | CC(C(=O)Nc1nc(C(CCN2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1)c1ccccc1 | 10.1016/j.bmcl.2006.10.059 | ||
11582651 | 75174 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 424 | 5 | 1 | 3 | 4.3 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCCN(CC3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036754 | 75174 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 424 | 5 | 1 | 3 | 4.3 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCCN(CC3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
46944855 | 65404 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 476 | 6 | 3 | 5 | 3.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccncc3O)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
CHEMBL1829625 | 65404 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 476 | 6 | 3 | 5 | 3.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccncc3O)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
44439170 | 151897 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 608 | 16 | 1 | 5 | 8.6 | CCCCC(CCCN(CC)CC)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
CHEMBL396622 | 151897 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 608 | 16 | 1 | 5 | 8.6 | CCCCC(CCCN(CC)CC)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
44444107 | 154460 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 500 | 5 | 0 | 2 | 6.2 | O=C(/C=C/c1ccc(Br)cc1)N1CCC(CN2CCC(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.07.065 | ||
CHEMBL399046 | 154460 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 500 | 5 | 0 | 2 | 6.2 | O=C(/C=C/c1ccc(Br)cc1)N1CCC(CN2CCC(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.07.065 | ||
44413311 | 77754 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 473 | 8 | 2 | 3 | 4.8 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(NCCN1CCCC1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | ||
CHEMBL209171 | 77754 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 473 | 8 | 2 | 3 | 4.8 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(NCCN1CCCC1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | ||
89823456 | 124385 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 546 | 5 | 0 | 6 | 4.1 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C#N)cc(C(F)(F)F)c2)C1 | nan | ||
CHEMBL3639492 | 124385 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 546 | 5 | 0 | 6 | 4.1 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C#N)cc(C(F)(F)F)c2)C1 | nan | ||
11605985 | 90938 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 514 | 13 | 1 | 4 | 6.8 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cccc(F)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
CHEMBL239569 | 90938 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 514 | 13 | 1 | 4 | 6.8 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cccc(F)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
11605985 | 90938 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 514 | 13 | 1 | 4 | 6.8 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cccc(F)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
CHEMBL239569 | 90938 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 514 | 13 | 1 | 4 | 6.8 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cccc(F)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
44416070 | 138868 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 623 | 8 | 4 | 4 | 4.0 | O=C1NCC(C(=O)NC(CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)N1 | 10.1016/j.bmcl.2006.07.011 | ||
CHEMBL378258 | 138868 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 623 | 8 | 4 | 4 | 4.0 | O=C1NCC(C(=O)NC(CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)N1 | 10.1016/j.bmcl.2006.07.011 | ||
89823427 | 126284 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 509 | 5 | 1 | 7 | 2.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ncn2)C1 | nan | ||
CHEMBL3650358 | 126284 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 509 | 5 | 1 | 7 | 2.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ncn2)C1 | nan | ||
11296325 | 77592 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 596 | 9 | 2 | 6 | 5.3 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)Cc2nc3ccc(C(F)(F)F)cc3[nH]2)cc1 | 10.1016/j.bmcl.2012.08.002 | ||
CHEMBL2088209 | 77592 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 596 | 9 | 2 | 6 | 5.3 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)Cc2nc3ccc(C(F)(F)F)cc3[nH]2)cc1 | 10.1016/j.bmcl.2012.08.002 | ||
71530223 | 86343 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 467 | 4 | 1 | 5 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
CHEMBL2313764 | 86343 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 467 | 4 | 1 | 5 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
53320171 | 58446 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 512 | 7 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](CC(C)C)(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 | 10.1016/j.bmcl.2011.01.015 | ||
CHEMBL1683079 | 58446 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 512 | 7 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](CC(C)C)(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 | 10.1016/j.bmcl.2011.01.015 | ||
54756156 | 65755 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 507 | 9 | 2 | 7 | 3.6 | C=CCn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](C(=O)OCC)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834779 | 65755 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 507 | 9 | 2 | 7 | 3.6 | C=CCn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](C(=O)OCC)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
44453325 | 155517 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 466 | 7 | 4 | 6 | 2.1 | COc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1O | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL404269 | 155517 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 466 | 7 | 4 | 6 | 2.1 | COc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1O | 10.1016/j.bmcl.2008.02.015 | ||
56675300 | 65725 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 411 | 5 | 4 | 5 | 2.1 | O=C(CNc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](O)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834646 | 65725 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 411 | 5 | 4 | 5 | 2.1 | O=C(CNc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](O)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
44442572 | 93513 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 506 | 10 | 4 | 4 | 3.2 | CCc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)cc1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL246403 | 93513 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 506 | 10 | 4 | 4 | 3.2 | CCc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)cc1 | 10.1016/j.bmcl.2007.07.028 | ||
24801342 | 97587 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 517 | 8 | 3 | 4 | 4.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@H]1NCc1ccc(OC(F)(F)F)cc1 | 10.1021/jm701488f | ||
CHEMBL270957 | 97587 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 517 | 8 | 3 | 4 | 4.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@H]1NCc1ccc(OC(F)(F)F)cc1 | 10.1021/jm701488f | ||
46240582 | 83544 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 479 | 6 | 3 | 6 | 1.8 | Cn1ccnc1[C@]1(O)CC[C@H](N2CC(NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1 | 10.1021/ml300260s | ||
CHEMBL2204255 | 83544 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 479 | 6 | 3 | 6 | 1.8 | Cn1ccnc1[C@]1(O)CC[C@H](N2CC(NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1 | 10.1021/ml300260s | ||
57403877 | 70496 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 539 | 10 | 3 | 5 | 3.6 | CCCN[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
CHEMBL1947043 | 70496 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 539 | 10 | 3 | 5 | 3.6 | CCCN[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
44353447 | 3746 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1016/j.bmcl.2008.02.015 | ||
785 | 3746 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL337246 | 3746 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1016/j.bmcl.2008.02.015 | ||
52950180 | 19318 | 0 | None | - | 0 | Mouse | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 545 | 10 | 2 | 4 | 5.1 | CCCCO[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
CHEMBL1290754 | 19318 | 0 | None | - | 0 | Mouse | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 545 | 10 | 2 | 4 | 5.1 | CCCCO[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
89823537 | 126272 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 3.2 | CO[C@@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | ||
CHEMBL3650346 | 126272 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 3.2 | CO[C@@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | ||
10115566 | 97382 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 461 | 7 | 3 | 3 | 4.3 | Cc1ccc(CN[C@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)c(C)c1 | 10.1021/jm701488f | ||
CHEMBL269898 | 97382 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 461 | 7 | 3 | 3 | 4.3 | Cc1ccc(CN[C@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)c(C)c1 | 10.1021/jm701488f | ||
56681842 | 65686 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 472 | 5 | 2 | 4 | 3.9 | O=C(Cn1[nH]c2ccc(C(F)(F)F)cc2c1=O)NC1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834579 | 65686 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 472 | 5 | 2 | 4 | 3.9 | O=C(Cn1[nH]c2ccc(C(F)(F)F)cc2c1=O)NC1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
127025159 | 137326 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 375 | 3 | 1 | 3 | 3.7 | C[C@H]1CC=C(C(=O)NS(C)(=O)=O)[C@](C)(c2ccc(Cl)c(Cl)c2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
CHEMBL3752915 | 137326 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 375 | 3 | 1 | 3 | 3.7 | C[C@H]1CC=C(C(=O)NS(C)(=O)=O)[C@](C)(c2ccc(Cl)c(Cl)c2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
56661444 | 65745 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 614 | 6 | 3 | 8 | 5.1 | CC(C)(C)NC(=O)n1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4ccc5c(c4)OCO5)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834717 | 65745 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 614 | 6 | 3 | 8 | 5.1 | CC(C)(C)NC(=O)n1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4ccc5c(c4)OCO5)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
23405932 | 93703 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 532 | 10 | 4 | 4 | 3.0 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NCC(F)(F)F)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL247209 | 93703 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 532 | 10 | 4 | 4 | 3.0 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NCC(F)(F)F)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
89823506 | 126310 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 532 | 5 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(C#N)c(C(F)(F)F)c2)C1 | nan | ||
CHEMBL3650384 | 126310 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 532 | 5 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(C#N)c(C(F)(F)F)c2)C1 | nan | ||
44573485 | 187697 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 480 | 6 | 2 | 3 | 5.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2)C1 | 10.1007/s00044-010-9501-4 | ||
CHEMBL495368 | 187697 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 480 | 6 | 2 | 3 | 5.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2)C1 | 10.1007/s00044-010-9501-4 | ||
127036603 | 137487 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 258 | 2 | 1 | 1 | 4.0 | Cc1ccc(C)c([C@]2(C)C[C@@H](C)CC=C2C(=O)O)c1 | 10.1016/j.bmcl.2015.11.051 | ||
CHEMBL3754155 | 137487 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 258 | 2 | 1 | 1 | 4.0 | Cc1ccc(C)c([C@]2(C)C[C@@H](C)CC=C2C(=O)O)c1 | 10.1016/j.bmcl.2015.11.051 | ||
24801346 | 161225 | 1 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 461 | 6 | 3 | 3 | 3.6 | Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1021/jm701488f | ||
CHEMBL411935 | 161225 | 1 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 461 | 6 | 3 | 3 | 3.6 | Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1021/jm701488f | ||
508749 | 67093 | 1 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 413 | 7 | 2 | 3 | 3.4 | Cc1cccc(C(=O)NCC(=O)NCC2CCN(Cc3ccc(Cl)cc3)CC2)c1 | 10.1016/j.bmcl.2004.08.009 | ||
CHEMBL187469 | 67093 | 1 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 413 | 7 | 2 | 3 | 3.4 | Cc1cccc(C(=O)NCC(=O)NCC2CCN(Cc3ccc(Cl)cc3)CC2)c1 | 10.1016/j.bmcl.2004.08.009 | ||
57656701 | 75202 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 413 | 2 | 1 | 4 | 1.9 | CN1CCN(C)C(C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036784 | 75202 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 413 | 2 | 1 | 4 | 1.9 | CN1CCN(C)C(C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
10225909 | 93932 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 451 | 9 | 4 | 4 | 2.4 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)O)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL248417 | 93932 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 451 | 9 | 4 | 4 | 2.4 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)O)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
57344222 | 130610 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 545 | 8 | 4 | 5 | 4.8 | CCOC(=O)c1ccc(NC(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)cc1 | nan | ||
CHEMBL3681882 | 130610 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 545 | 8 | 4 | 5 | 4.8 | CCOC(=O)c1ccc(NC(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)cc1 | nan | ||
44425649 | 86100 | 0 | None | - | 0 | Mouse | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 554 | 6 | 1 | 2 | 7.5 | C[C@H]1CN(C2CCC(CC3CCC3)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
CHEMBL231142 | 86100 | 0 | None | - | 0 | Mouse | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 554 | 6 | 1 | 2 | 7.5 | C[C@H]1CN(C2CCC(CC3CCC3)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
68004146 | 86559 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 530 | 7 | 3 | 8 | 3.1 | COc1cccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNc4ncnc5ccc(C(F)(F)F)cc45)C3)CC2)n1 | 10.1016/j.bmcl.2012.12.017 | ||
CHEMBL2315928 | 86559 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 530 | 7 | 3 | 8 | 3.1 | COc1cccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNc4ncnc5ccc(C(F)(F)F)cc45)C3)CC2)n1 | 10.1016/j.bmcl.2012.12.017 | ||
54756045 | 65758 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 510 | 7 | 3 | 8 | 2.3 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(C(N)=O)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834781 | 65758 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 510 | 7 | 3 | 8 | 2.3 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(C(N)=O)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
56671793 | 65766 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 486 | 6 | 2 | 6 | 3.9 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4cccnc4)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834789 | 65766 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 486 | 6 | 2 | 6 | 3.9 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4cccnc4)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
44573452 | 187583 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 480 | 6 | 2 | 3 | 5.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCCOC2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
CHEMBL494770 | 187583 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 480 | 6 | 2 | 3 | 5.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCCOC2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
10427222 | 165717 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 337 | 3 | 1 | 2 | 4.8 | O=C(O)c1cc2cc(F)ccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
CHEMBL424638 | 165717 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 337 | 3 | 1 | 2 | 4.8 | O=C(O)c1cc2cc(F)ccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
46886057 | 8367 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 639 | 9 | 1 | 6 | 5.5 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2N2CCC(C)(NC(=O)c3cccc(C(F)(F)F)c3)C2=O)cc1 | 10.1016/j.bmcl.2010.03.035 | ||
CHEMBL1093319 | 8367 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 639 | 9 | 1 | 6 | 5.5 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2N2CCC(C)(NC(=O)c3cccc(C(F)(F)F)c3)C2=O)cc1 | 10.1016/j.bmcl.2010.03.035 | ||
72945827 | 105201 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 588 | 5 | 1 | 7 | 3.7 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)Oc3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
CHEMBL3115102 | 105201 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 588 | 5 | 1 | 7 | 3.7 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)Oc3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
44442531 | 153921 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 478 | 10 | 4 | 4 | 2.5 | CCNC(=O)[C@@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL398353 | 153921 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 478 | 10 | 4 | 4 | 2.5 | CCNC(=O)[C@@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | ||
71519052 | 86366 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 457 | 6 | 1 | 6 | 3.1 | COC1COCCC1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc(OC(C)C)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
CHEMBL2314050 | 86366 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 457 | 6 | 1 | 6 | 3.1 | COC1COCCC1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc(OC(C)C)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
44442584 | 93522 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 534 | 12 | 4 | 4 | 4.0 | CCCCc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)cc1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL246413 | 93522 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 534 | 12 | 4 | 4 | 4.0 | CCCCc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)cc1 | 10.1016/j.bmcl.2007.07.028 | ||
11590644 | 121197 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 457 | 11 | 4 | 4 | 3.3 | CCC[C@H](O)[C@H](CNCC1CCCCC1)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | ||
CHEMBL3577931 | 121197 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 457 | 11 | 4 | 4 | 3.3 | CCC[C@H](O)[C@H](CNCC1CCCCC1)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | ||
72948000 | 105197 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 601 | 6 | 2 | 6 | 3.4 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)NCc3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
CHEMBL3115099 | 105197 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 601 | 6 | 2 | 6 | 3.4 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)NCc3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
46240585 | 83554 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 524 | 7 | 3 | 6 | 3.6 | CC(C)c1ncc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)s1 | 10.1021/ml300260s | ||
CHEMBL2204265 | 83554 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 524 | 7 | 3 | 6 | 3.6 | CC(C)c1ncc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)s1 | 10.1021/ml300260s | ||
44425643 | 86013 | 0 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 500 | 4 | 1 | 2 | 6.3 | C[C@H]1CN([C@@H]2CC[C@](C)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
CHEMBL230722 | 86013 | 0 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 500 | 4 | 1 | 2 | 6.3 | C[C@H]1CN([C@@H]2CC[C@](C)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
70697571 | 77946 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 453 | 7 | 2 | 3 | 3.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC[C@H]1CCCN1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2004.08.009 | ||
CHEMBL2096788 | 77946 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 453 | 7 | 2 | 3 | 3.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC[C@H]1CCCN1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2004.08.009 | ||
57398651 | 70491 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 385 | 6 | 3 | 3 | 2.9 | CC(C)N[C@H]1CC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)CC1 | 10.1016/j.bmcl.2011.12.057 | ||
CHEMBL1947039 | 70491 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 385 | 6 | 3 | 3 | 2.9 | CC(C)N[C@H]1CC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)CC1 | 10.1016/j.bmcl.2011.12.057 | ||
44416273 | 138916 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 496 | 6 | 1 | 2 | 6.2 | O=C(CCCN1CCC2(C=Cc3ccccc32)CC1)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | ||
CHEMBL378449 | 138916 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 496 | 6 | 1 | 2 | 6.2 | O=C(CCCN1CCC2(C=Cc3ccccc32)CC1)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | ||
90656015 | 111079 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 501 | 4 | 1 | 6 | 2.0 | COC1COCCC1N[C@@H]1C[C@H]2[S+]([O-])CC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
CHEMBL3263262 | 111079 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 501 | 4 | 1 | 6 | 2.0 | COC1COCCC1N[C@@H]1C[C@H]2[S+]([O-])CC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
44413344 | 139313 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 489 | 8 | 2 | 4 | 4.0 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(NCCN1CCOCC1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | ||
CHEMBL379278 | 139313 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 489 | 8 | 2 | 4 | 4.0 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(NCCN1CCOCC1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | ||
44353369 | 23211 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 315 | 4 | 1 | 3 | 4.1 | COc1ccc(Cn2c(C(=O)O)cc3cc(Cl)ccc32)cc1 | 10.1016/j.bmcl.2003.10.049 | ||
CHEMBL133168 | 23211 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 315 | 4 | 1 | 3 | 4.1 | COc1ccc(Cn2c(C(=O)O)cc3cc(Cl)ccc32)cc1 | 10.1016/j.bmcl.2003.10.049 | ||
44612708 | 137411 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 298 | 2 | 1 | 1 | 4.7 | C[C@@H]1CC=C(C(=O)O)[C@@](C)(c2ccc(Cl)c(Cl)c2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
CHEMBL3753526 | 137411 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 298 | 2 | 1 | 1 | 4.7 | C[C@@H]1CC=C(C(=O)O)[C@@](C)(c2ccc(Cl)c(Cl)c2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
57344219 | 130608 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 545 | 8 | 4 | 5 | 4.8 | CCOC(=O)c1cccc(NC(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)c1 | nan | ||
CHEMBL3681880 | 130608 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 545 | 8 | 4 | 5 | 4.8 | CCOC(=O)c1cccc(NC(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)c1 | nan | ||
71517574 | 86358 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 483 | 4 | 2 | 6 | 2.3 | COC1COCCC1N[C@@H]1C[C@H]2C[C@@H](O)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
CHEMBL2313779 | 86358 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 483 | 4 | 2 | 6 | 2.3 | COC1COCCC1N[C@@H]1C[C@H]2C[C@@H](O)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
57656921 | 75184 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 420 | 4 | 1 | 3 | 3.5 | O=C(Nc1ccc(Br)cc1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036764 | 75184 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 420 | 4 | 1 | 3 | 3.5 | O=C(Nc1ccc(Br)cc1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
46842383 | 8313 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 530 | 8 | 2 | 4 | 3.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL1092929 | 8313 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 530 | 8 | 2 | 4 | 3.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
72946010 | 105203 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 582 | 5 | 1 | 7 | 3.6 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCC(C)(C)C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
CHEMBL3115104 | 105203 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 582 | 5 | 1 | 7 | 3.6 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCC(C)(C)C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
71517573 | 86357 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 483 | 4 | 2 | 6 | 2.3 | COC1COCCC1N[C@@H]1C[C@H]2C[C@H](O)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
CHEMBL2313778 | 86357 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 483 | 4 | 2 | 6 | 2.3 | COC1COCCC1N[C@@H]1C[C@H]2C[C@H](O)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
57393530 | 70479 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 497 | 7 | 3 | 5 | 2.5 | N[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
CHEMBL1946831 | 70479 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 497 | 7 | 3 | 5 | 2.5 | N[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
44453372 | 155720 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 433 | 7 | 2 | 3 | 3.4 | CCc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL405633 | 155720 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 433 | 7 | 2 | 3 | 3.4 | CCc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
71768798 | 111074 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 497 | 4 | 1 | 6 | 3.1 | COC1COCCC1N[C@@H]1C[C@H]2OC(C)(C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
CHEMBL3263257 | 111074 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 497 | 4 | 1 | 6 | 3.1 | COC1COCCC1N[C@@H]1C[C@H]2OC(C)(C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
9851741 | 80164 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 604 | 7 | 1 | 2 | 8.0 | C[C@H]1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CC[C@@]12C=Cc1ccccc12 | 10.1021/jm060439n | ||
CHEMBL213601 | 80164 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 604 | 7 | 1 | 2 | 8.0 | C[C@H]1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CC[C@@]12C=Cc1ccccc12 | 10.1021/jm060439n | ||
67774475 | 130632 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 488 | 6 | 4 | 4 | 4.3 | Cc1cccc(NC(=O)N2CCC(C(NC3CCC(c4c[nH]c5cccnc45)CC3)C(N)=O)CC2)c1 | nan | ||
CHEMBL3681903 | 130632 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 488 | 6 | 4 | 4 | 4.3 | Cc1cccc(NC(=O)N2CCC(C(NC3CCC(c4c[nH]c5cccnc45)CC3)C(N)=O)CC2)c1 | nan | ||
44444105 | 94043 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 482 | 7 | 0 | 4 | 5.5 | COc1ccc(/C=C/C(=O)N2CCC(CN3CCC(c4ccc(Cl)cc4)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.07.065 | ||
CHEMBL249009 | 94043 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 482 | 7 | 0 | 4 | 5.5 | COc1ccc(/C=C/C(=O)N2CCC(CN3CCC(c4ccc(Cl)cc4)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.07.065 | ||
44413158 | 79942 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 437 | 8 | 2 | 4 | 3.8 | CN(C)CCNC(C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccco1 | 10.1016/j.bmcl.2006.04.045 | ||
CHEMBL212674 | 79942 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 437 | 8 | 2 | 4 | 3.8 | CN(C)CCNC(C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccco1 | 10.1016/j.bmcl.2006.04.045 | ||
89823541 | 126297 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 3.2 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(C(F)(F)F)c2)C1 | nan | ||
CHEMBL3650371 | 126297 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 3.2 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(C(F)(F)F)c2)C1 | nan | ||
11699524 | 95081 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 541 | 7 | 2 | 4 | 5.1 | COc1ccc2[nH]cc(C3CCN(C(CO)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c2c1 | 10.1016/j.bmcl.2008.05.010 | ||
CHEMBL255499 | 95081 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 541 | 7 | 2 | 4 | 5.1 | COc1ccc2[nH]cc(C3CCN(C(CO)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c2c1 | 10.1016/j.bmcl.2008.05.010 | ||
11605635 | 95435 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 493 | 6 | 2 | 3 | 4.9 | O=C(/C=C/c1ccc(F)c(F)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
CHEMBL257173 | 95435 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 493 | 6 | 2 | 3 | 4.9 | O=C(/C=C/c1ccc(F)c(F)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
11534473 | 90670 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 594 | 14 | 1 | 5 | 8.0 | CCN(CC)CCCC(NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1)C(C)C | 10.1016/j.bmcl.2006.10.060 | ||
CHEMBL239144 | 90670 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 594 | 14 | 1 | 5 | 8.0 | CCN(CC)CCCC(NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1)C(C)C | 10.1016/j.bmcl.2006.10.060 | ||
54754969 | 65710 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 515 | 6 | 3 | 6 | 4.2 | O=C(CNc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834632 | 65710 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 515 | 6 | 3 | 6 | 4.2 | O=C(CNc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
56675205 | 65765 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 486 | 6 | 3 | 5 | 4.2 | Cc1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4n[nH]c5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834788 | 65765 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 486 | 6 | 3 | 5 | 4.2 | Cc1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4n[nH]c5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2011.08.074 | ||
44447783 | 95047 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 556 | 6 | 2 | 3 | 7.1 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cccc(O)c3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
CHEMBL255312 | 95047 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 556 | 6 | 2 | 3 | 7.1 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cccc(O)c3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
10325032 | 95086 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 541 | 6 | 1 | 3 | 6.8 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cccnc3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
CHEMBL255513 | 95086 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 541 | 6 | 1 | 3 | 6.8 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cccnc3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
44447782 | 155289 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 570 | 7 | 1 | 3 | 7.4 | COc1cccc(C2CCN([C@@H]3CC[C@@](C(=O)NCc4cc(C(F)(F)F)cc(C(F)(F)F)c4)(C(C)C)C3)CC2)c1 | 10.1016/j.bmcl.2007.12.029 | ||
CHEMBL403033 | 155289 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 570 | 7 | 1 | 3 | 7.4 | COc1cccc(C2CCN([C@@H]3CC[C@@](C(=O)NCc4cc(C(F)(F)F)cc(C(F)(F)F)c4)(C(C)C)C3)CC2)c1 | 10.1016/j.bmcl.2007.12.029 | ||
10392978 | 167435 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 558 | 6 | 2 | 5 | 5.3 | CC(C)(O)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cncnc3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
CHEMBL429849 | 167435 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 558 | 6 | 2 | 5 | 5.3 | CC(C)(O)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cncnc3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
11421712 | 74514 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4cnccn4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
CHEMBL2029421 | 74514 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4cnccn4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
11365166 | 74515 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 573 | 7 | 3 | 7 | 4.0 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4nccs4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
CHEMBL2029423 | 74515 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 573 | 7 | 3 | 7 | 4.0 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4nccs4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
44593564 | 187208 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 498 | 6 | 2 | 3 | 5.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2008.12.050 | ||
CHEMBL492564 | 187208 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 498 | 6 | 2 | 3 | 5.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2008.12.050 | ||
22143293 | 188003 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 495 | 8 | 5 | 6 | 2.4 | CSc1ccc(CNC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
CHEMBL497577 | 188003 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 495 | 8 | 5 | 6 | 2.4 | CSc1ccc(CNC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
44453368 | 97739 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 449 | 6 | 4 | 5 | 2.3 | Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1N | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL271725 | 97739 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 449 | 6 | 4 | 5 | 2.3 | Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1N | 10.1016/j.bmcl.2008.02.015 | ||
22143309 | 187917 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 537 | 10 | 4 | 6 | 3.5 | CCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(N)cc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2008.07.123 | ||
CHEMBL496959 | 187917 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 537 | 10 | 4 | 6 | 3.5 | CCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(N)cc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2008.07.123 | ||
51039119 | 176193 | 33 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 484 | 5 | 3 | 8 | 2.2 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3cc(C(C)(C)C)nn23)C1=O | 10.1021/acsmedchemlett.1c00373 | ||
CHEMBL4594419 | 176193 | 33 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 484 | 5 | 3 | 8 | 2.2 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3cc(C(C)(C)C)nn23)C1=O | 10.1021/acsmedchemlett.1c00373 | ||
53325639 | 58440 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
CHEMBL1683073 | 58440 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
44580591 | 187835 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 551 | 9 | 4 | 6 | 3.1 | CCCN1CCC(NC(=O)c2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(N)cc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2008.07.123 | ||
CHEMBL496344 | 187835 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 551 | 9 | 4 | 6 | 3.1 | CCCN1CCC(NC(=O)c2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(N)cc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2008.07.123 | ||
44425649 | 86100 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 554 | 6 | 1 | 2 | 7.5 | C[C@H]1CN(C2CCC(CC3CCC3)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
CHEMBL231142 | 86100 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 554 | 6 | 1 | 2 | 7.5 | C[C@H]1CN(C2CCC(CC3CCC3)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
22143293 | 188003 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 495 | 8 | 5 | 6 | 2.4 | CSc1ccc(CNC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
CHEMBL497577 | 188003 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 495 | 8 | 5 | 6 | 2.4 | CSc1ccc(CNC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
11700079 | 149899 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 618 | 8 | 3 | 5 | 4.5 | CS(=O)(=O)Nc1ccc2[nH]cc(C3CCN(C(C(=O)O)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c2c1 | 10.1021/jm070902b | ||
CHEMBL394955 | 149899 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 618 | 8 | 3 | 5 | 4.5 | CS(=O)(=O)Nc1ccc2[nH]cc(C3CCN(C(C(=O)O)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c2c1 | 10.1021/jm070902b | ||
10129343 | 173241 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 642 | 11 | 3 | 6 | 5.2 | CCN(CC)C(=O)Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@H]1CCCC[C@H]1CS(=O)(=O)c1ccc(SC)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL452509 | 173241 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 642 | 11 | 3 | 6 | 5.2 | CCN(CC)C(=O)Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@H]1CCCC[C@H]1CS(=O)(=O)c1ccc(SC)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
44425640 | 96900 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 576 | 5 | 1 | 2 | 7.6 | C[C@H]1CN(C2CCC(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C3CC3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
CHEMBL266017 | 96900 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 576 | 5 | 1 | 2 | 7.6 | C[C@H]1CN(C2CCC(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C3CC3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
44425309 | 142332 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 636 | 8 | 2 | 5 | 7.0 | CC(=O)Nc1nc([C@@H](CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
CHEMBL388867 | 142332 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 636 | 8 | 2 | 5 | 7.0 | CC(=O)Nc1nc([C@@H](CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
53324942 | 58648 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 469 | 6 | 1 | 5 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2ccccc2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.052 | ||
CHEMBL1684701 | 58648 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 469 | 6 | 1 | 5 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2ccccc2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.052 | ||
60148505 | 111083 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 469 | 4 | 1 | 6 | 2.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
CHEMBL3263268 | 111083 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 469 | 4 | 1 | 6 | 2.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
57335017 | 70309 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 595 | 8 | 4 | 6 | 2.8 | N[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCC2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
CHEMBL1944776 | 70309 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 595 | 8 | 4 | 6 | 2.8 | N[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCC2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
57391591 | 70311 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 637 | 10 | 4 | 6 | 3.8 | CC(C)N[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCC2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
CHEMBL1944778 | 70311 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 637 | 10 | 4 | 6 | 3.8 | CC(C)N[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCC2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
162668957 | 182736 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 495 | 5 | 3 | 7 | 3.1 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(C)(C)C)nc23)C1=O | 10.1021/acsmedchemlett.1c00082 | ||
CHEMBL4790208 | 182736 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 495 | 5 | 3 | 7 | 3.1 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(C)(C)C)nc23)C1=O | 10.1021/acsmedchemlett.1c00082 | ||
71768900 | 111087 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 470 | 4 | 1 | 6 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2COc3ccc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
CHEMBL3263272 | 111087 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 470 | 4 | 1 | 6 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2COc3ccc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
10209478 | 73692 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 551 | 12 | 6 | 5 | 3.2 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018385 | 73692 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 551 | 12 | 6 | 5 | 3.2 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC | 10.1016/j.bmcl.2012.03.007 | ||
10300284 | 73703 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 494 | 11 | 5 | 5 | 3.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(N)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018396 | 73703 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 494 | 11 | 5 | 5 | 3.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(N)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
11752457 | 74510 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 504 | 6 | 3 | 5 | 3.2 | Cc1ccc([C@]2(O)CC[C@H](N[C@H]3CCN(C(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)nc1 | 10.1021/ml200199c | ||
CHEMBL2029417 | 74510 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 504 | 6 | 3 | 5 | 3.2 | Cc1ccc([C@]2(O)CC[C@H](N[C@H]3CCN(C(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)nc1 | 10.1021/ml200199c | ||
69285563 | 121202 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 443 | 8 | 2 | 4 | 3.1 | COC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | ||
CHEMBL3577936 | 121202 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 443 | 8 | 2 | 4 | 3.1 | COC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | ||
44442561 | 93510 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 504 | 11 | 4 | 4 | 2.9 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NCC2CC2)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL246399 | 93510 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 504 | 11 | 4 | 4 | 2.9 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NCC2CC2)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
57344305 | 68910 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 539 | 7 | 3 | 4 | 4.4 | NC(=O)C(NC1CCC(c2c[nH]c3cccnc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | ||
CHEMBL1922797 | 68910 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 539 | 7 | 3 | 4 | 4.4 | NC(=O)C(NC1CCC(c2c[nH]c3cccnc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | ||
10207591 | 73388 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 507 | 10 | 4 | 4 | 4.1 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](O)CC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2016596 | 73388 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 507 | 10 | 4 | 4 | 4.1 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](O)CC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | ||
44571216 | 172628 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 757 | 11 | 5 | 8 | 6.3 | CSc1ccc(C(=O)NC2CCC(NC(=O)OCc3ccccc3)CC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
CHEMBL449674 | 172628 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 757 | 11 | 5 | 8 | 6.3 | CSc1ccc(C(=O)NC2CCC(NC(=O)OCc3ccccc3)CC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
67772854 | 130611 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 542 | 7 | 3 | 5 | 4.4 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc3c(c2)OCCO3)CC1 | nan | ||
CHEMBL3681883 | 130611 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 542 | 7 | 3 | 5 | 4.4 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc3c(c2)OCCO3)CC1 | nan | ||
44415957 | 81025 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 510 | 6 | 1 | 2 | 6.4 | C[C@@H](CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | ||
CHEMBL215391 | 81025 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 510 | 6 | 1 | 2 | 6.4 | C[C@@H](CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | ||
22310876 | 116898 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 396 | 4 | 1 | 4 | 3.7 | CS(=O)(=O)NC(=O)c1cc2ccccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
CHEMBL338495 | 116898 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 396 | 4 | 1 | 4 | 3.7 | CS(=O)(=O)NC(=O)c1cc2ccccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
71519381 | 86344 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 467 | 4 | 1 | 5 | 3.3 | CO[C@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
CHEMBL2313765 | 86344 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 467 | 4 | 1 | 5 | 3.3 | CO[C@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
49763804 | 65395 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 528 | 7 | 2 | 4 | 4.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccc(N4CCCC4)cc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
CHEMBL1829616 | 65395 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 528 | 7 | 2 | 4 | 4.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccc(N4CCCC4)cc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
44571258 | 183227 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 544 | 8 | 3 | 4 | 4.5 | CN(C)C1CCC(NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(NCc2ccc(Cl)c(Cl)c2)C1 | 10.1016/j.bmcl.2008.12.062 | ||
CHEMBL479643 | 183227 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 544 | 8 | 3 | 4 | 4.5 | CN(C)C1CCC(NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(NCc2ccc(Cl)c(Cl)c2)C1 | 10.1016/j.bmcl.2008.12.062 | ||
44439163 | 90265 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 596 | 12 | 4 | 7 | 4.7 | COC(=O)[C@H](CCCNC(=N)N)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
CHEMBL238518 | 90265 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 596 | 12 | 4 | 7 | 4.7 | COC(=O)[C@H](CCCNC(=N)N)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
44353447 | 3746 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1016/j.bmcl.2010.02.072 | ||
785 | 3746 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL337246 | 3746 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1016/j.bmcl.2010.02.072 | ||
44453234 | 97443 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 489 | 7 | 2 | 4 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(OC(F)(F)F)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL270182 | 97443 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 489 | 7 | 2 | 4 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(OC(F)(F)F)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
127025462 | 137337 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 404 | 4 | 1 | 2 | 5.9 | CC(C)(C)OC[C@H]1CC=C(C(=O)O)[C@](C)(c2ccc(Cl)c(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
CHEMBL3753005 | 137337 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 404 | 4 | 1 | 2 | 5.9 | CC(C)(C)OC[C@H]1CC=C(C(=O)O)[C@](C)(c2ccc(Cl)c(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
86767119 | 129376 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 439 | 3 | 1 | 5 | 2.7 | O=C(N1CCc2ncc(C(F)(F)F)cc2C1)C12CCOC1CC(NC1CCOCC1)C2 | nan | ||
CHEMBL3671252 | 129376 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 439 | 3 | 1 | 5 | 2.7 | O=C(N1CCc2ncc(C(F)(F)F)cc2C1)C12CCOC1CC(NC1CCOCC1)C2 | nan | ||
76314242 | 105226 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 544 | 5 | 1 | 6 | 3.7 | COC1COCCC1N[C@@H]1C[C@H]2CN(c3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
CHEMBL3115268 | 105226 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 544 | 5 | 1 | 6 | 3.7 | COC1COCCC1N[C@@H]1C[C@H]2CN(c3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
44439163 | 90265 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 596 | 12 | 4 | 7 | 4.7 | COC(=O)[C@H](CCCNC(=N)N)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
CHEMBL238518 | 90265 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 596 | 12 | 4 | 7 | 4.7 | COC(=O)[C@H](CCCNC(=N)N)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
46240482 | 83548 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 482 | 6 | 3 | 6 | 2.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3nccs3)CC2)C1 | 10.1021/ml300260s | ||
CHEMBL2204259 | 83548 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 482 | 6 | 3 | 6 | 2.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3nccs3)CC2)C1 | 10.1021/ml300260s | ||
44447786 | 95085 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 584 | 7 | 2 | 3 | 7.1 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cccc(C(=O)O)c3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
CHEMBL255511 | 95085 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 584 | 7 | 2 | 3 | 7.1 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cccc(C(=O)O)c3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
71768721 | 111092 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 439 | 3 | 1 | 5 | 2.7 | O=C(N1CCc2ncc(C(F)(F)F)cc2C1)[C@@]12CCO[C@@H]1C[C@@H](NC1CCOCC1)C2 | 10.1016/j.bmcl.2014.03.036 | ||
CHEMBL3263279 | 111092 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 439 | 3 | 1 | 5 | 2.7 | O=C(N1CCc2ncc(C(F)(F)F)cc2C1)[C@@]12CCO[C@@H]1C[C@@H](NC1CCOCC1)C2 | 10.1016/j.bmcl.2014.03.036 | ||
122178127 | 121194 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 541 | 12 | 4 | 4 | 4.3 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@@H](O)CCc2ccccc2)c(C)c1 | 10.1021/ml500505q | ||
CHEMBL3577928 | 121194 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 541 | 12 | 4 | 4 | 4.3 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@@H](O)CCc2ccccc2)c(C)c1 | 10.1021/ml500505q | ||
72946202 | 105213 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 496 | 5 | 1 | 6 | 2.5 | CCN1C[C@@H]2C[C@@H](NC3CCOCC3OC)C[C@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
CHEMBL3115114 | 105213 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 496 | 5 | 1 | 6 | 2.5 | CCN1C[C@@H]2C[C@@H](NC3CCOCC3OC)C[C@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
54755083 | 65714 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 488 | 6 | 3 | 6 | 3.1 | O=C(CNc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](n3ccccc3=O)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834636 | 65714 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 488 | 6 | 3 | 6 | 3.1 | O=C(CNc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](n3ccccc3=O)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
44425636 | 85919 | 0 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 590 | 6 | 1 | 2 | 8.0 | C[C@H]1CN(C2CCC(CC3CC3)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
CHEMBL230078 | 85919 | 0 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 590 | 6 | 1 | 2 | 8.0 | C[C@H]1CN(C2CCC(CC3CC3)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
44573412 | 187403 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 478 | 6 | 2 | 2 | 6.5 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCCCC2)C1 | 10.1007/s00044-010-9501-4 | ||
CHEMBL493780 | 187403 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 478 | 6 | 2 | 2 | 6.5 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCCCC2)C1 | 10.1007/s00044-010-9501-4 | ||
44453565 | 168983 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 439 | 6 | 2 | 3 | 3.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccccc2Cl)C1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL439252 | 168983 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 439 | 6 | 2 | 3 | 3.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccccc2Cl)C1 | 10.1016/j.bmcl.2008.02.015 | ||
10138789 | 166485 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 450 | 9 | 4 | 4 | 1.8 | Cc1ccc(CNC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(N)=O)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL427875 | 166485 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 450 | 9 | 4 | 4 | 1.8 | Cc1ccc(CNC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(N)=O)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
44573535 | 187414 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 528 | 6 | 2 | 4 | 4.7 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCS(=O)(=O)CC2)C1 | 10.1007/s00044-010-9501-4 | ||
CHEMBL493843 | 187414 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 528 | 6 | 2 | 4 | 4.7 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCS(=O)(=O)CC2)C1 | 10.1007/s00044-010-9501-4 | ||
44573535 | 187414 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 528 | 6 | 2 | 4 | 4.7 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCS(=O)(=O)CC2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
CHEMBL493843 | 187414 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 528 | 6 | 2 | 4 | 4.7 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCS(=O)(=O)CC2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
11563597 | 91924 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 632 | 13 | 1 | 4 | 8.7 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
CHEMBL241462 | 91924 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 632 | 13 | 1 | 4 | 8.7 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
11563597 | 91924 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 632 | 13 | 1 | 4 | 8.7 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
CHEMBL241462 | 91924 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 632 | 13 | 1 | 4 | 8.7 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
57344315 | 68912 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 530 | 8 | 2 | 5 | 3.9 | COc1ccc(C2CCC(NC(C(N)=O)C3CCN(C(=O)/C=C/c4cc(F)c(F)c(F)c4)CC3)CC2)cn1 | nan | ||
CHEMBL1922799 | 68912 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 530 | 8 | 2 | 5 | 3.9 | COc1ccc(C2CCC(NC(C(N)=O)C3CCN(C(=O)/C=C/c4cc(F)c(F)c(F)c4)CC3)CC2)cn1 | nan | ||
72947595 | 105194 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 511 | 4 | 2 | 6 | 1.5 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(N)=O)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
CHEMBL3115096 | 105194 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 511 | 4 | 2 | 6 | 1.5 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(N)=O)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
57656713 | 75176 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 488 | 7 | 1 | 3 | 5.5 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCCN(CCCc3ccccc3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036756 | 75176 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 488 | 7 | 1 | 3 | 5.5 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCCN(CCCc3ccccc3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
11711078 | 75191 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 400 | 4 | 1 | 4 | 2.9 | CCN1CCO[C@@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036773 | 75191 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 400 | 4 | 1 | 4 | 2.9 | CCN1CCO[C@@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
10183362 | 73676 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 465 | 10 | 4 | 4 | 3.1 | CC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018369 | 73676 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 465 | 10 | 4 | 4 | 3.1 | CC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
10392559 | 155015 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 542 | 6 | 1 | 4 | 6.2 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3ccnnc3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
CHEMBL401609 | 155015 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 542 | 6 | 1 | 4 | 6.2 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3ccnnc3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
44425637 | 85958 | 0 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 604 | 6 | 1 | 2 | 8.4 | C[C@H]1CN([C@@H]2CC[C@](CC3CCC3)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
CHEMBL230405 | 85958 | 0 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 604 | 6 | 1 | 2 | 8.4 | C[C@H]1CN([C@@H]2CC[C@](CC3CCC3)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
44573412 | 187403 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 478 | 6 | 2 | 2 | 6.5 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCCCC2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
CHEMBL493780 | 187403 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 478 | 6 | 2 | 2 | 6.5 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCCCC2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
24801523 | 97827 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 493 | 7 | 3 | 4 | 4.0 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1021/jm701488f | ||
CHEMBL272168 | 97827 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 493 | 7 | 3 | 4 | 4.0 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1021/jm701488f | ||
22310972 | 116752 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 395 | 4 | 1 | 2 | 6.4 | O=C(O)c1cc2c(-c3ccccc3)cccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
CHEMBL337720 | 116752 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 395 | 4 | 1 | 2 | 6.4 | O=C(O)c1cc2c(-c3ccccc3)cccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
44395092 | 127261 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 522 | 8 | 4 | 7 | 2.9 | Cc1csc(C(=O)NNC(=O)CN2CCCN(CCC(O)(c3ccccc3)c3cccc(O)c3)CC2)c1 | 10.1016/j.bmcl.2004.08.008 | ||
CHEMBL365853 | 127261 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 522 | 8 | 4 | 7 | 2.9 | Cc1csc(C(=O)NNC(=O)CN2CCCN(CCC(O)(c3ccccc3)c3cccc(O)c3)CC2)c1 | 10.1016/j.bmcl.2004.08.008 | ||
10208555 | 73683 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 527 | 11 | 4 | 4 | 3.9 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@@H](O)Cc2ccccc2)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018376 | 73683 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 527 | 11 | 4 | 4 | 3.9 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@@H](O)Cc2ccccc2)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | ||
10208555 | 73683 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 527 | 11 | 4 | 4 | 3.9 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@@H](O)Cc2ccccc2)c(C)c1 | 10.1021/ml500505q | ||
CHEMBL2018376 | 73683 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 527 | 11 | 4 | 4 | 3.9 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@@H](O)Cc2ccccc2)c(C)c1 | 10.1021/ml500505q | ||
44395201 | 66391 | 0 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 413 | 8 | 2 | 3 | 3.5 | O=C(CCNC(=O)c1ccccc1)NCC1CCN(Cc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2004.08.009 | ||
CHEMBL185190 | 66391 | 0 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 413 | 8 | 2 | 3 | 3.5 | O=C(CCNC(=O)c1ccccc1)NCC1CCN(Cc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2004.08.009 | ||
57344313 | 130631 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 503 | 7 | 3 | 4 | 4.1 | NC(=O)C(NC1CCC(c2c[nH]c3ccncc23)CC1)C1CCN(C(=O)/C=C/c2ccc(F)cc2)CC1 | nan | ||
CHEMBL3681902 | 130631 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 503 | 7 | 3 | 4 | 4.1 | NC(=O)C(NC1CCC(c2c[nH]c3ccncc23)CC1)C1CCN(C(=O)/C=C/c2ccc(F)cc2)CC1 | nan | ||
44415927 | 80826 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 512 | 9 | 1 | 2 | 6.8 | C=CC[C@H](CCN1CCC(c2ccccc2)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | ||
CHEMBL215271 | 80826 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 512 | 9 | 1 | 2 | 6.8 | C=CC[C@H](CCN1CCC(c2ccccc2)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | ||
44453473 | 155515 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 464 | 6 | 3 | 4 | 2.8 | Nc1ccc(Br)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL404260 | 155515 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 464 | 6 | 3 | 4 | 2.8 | Nc1ccc(Br)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
25008678 | 94123 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 486 | 7 | 1 | 3 | 6.2 | COc1ccc(C2CCN(C[C@H]3CC[C@@H](NC(=O)/C=C/c4cc(Cl)cc(Cl)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | ||
CHEMBL249414 | 94123 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 486 | 7 | 1 | 3 | 6.2 | COc1ccc(C2CCN(C[C@H]3CC[C@@H](NC(=O)/C=C/c4cc(Cl)cc(Cl)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | ||
11570431 | 91953 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 564 | 13 | 1 | 4 | 7.9 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
CHEMBL241502 | 91953 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 564 | 13 | 1 | 4 | 7.9 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
44439173 | 90678 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 650 | 13 | 1 | 4 | 8.8 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.10.060 | ||
CHEMBL239145 | 90678 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 650 | 13 | 1 | 4 | 8.8 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.10.060 | ||
52947417 | 19276 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 490 | 6 | 3 | 5 | 2.3 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CN(C2CCN(c3ccccc3)CC2)C[C@@H]1O | 10.1016/j.bmcl.2010.10.020 | ||
CHEMBL1290522 | 19276 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 490 | 6 | 3 | 5 | 2.3 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CN(C2CCN(c3ccccc3)CC2)C[C@@H]1O | 10.1016/j.bmcl.2010.10.020 | ||
72946199 | 105206 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 610 | 6 | 1 | 8 | 3.0 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCC3CCOCC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
CHEMBL3115107 | 105206 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 610 | 6 | 1 | 8 | 3.0 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCC3CCOCC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
10206007 | 73679 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 479 | 10 | 4 | 4 | 3.3 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@@H](O)C(C)C)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018372 | 73679 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 479 | 10 | 4 | 4 | 3.3 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@@H](O)C(C)C)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | ||
11237168 | 74502 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 489 | 6 | 3 | 4 | 3.5 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccccc3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
CHEMBL2029409 | 74502 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 489 | 6 | 3 | 4 | 3.5 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccccc3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
10302973 | 93523 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 556 | 10 | 4 | 4 | 3.9 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL246415 | 93523 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 556 | 10 | 4 | 4 | 3.9 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
44442589 | 93742 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 607 | 11 | 5 | 6 | 4.2 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)OC(C)C)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL247439 | 93742 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 607 | 11 | 5 | 6 | 4.2 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)OC(C)C)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
44423281 | 142090 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 498 | 5 | 1 | 2 | 6.4 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCC(N2CCC(c3ccccc3)CC2)C1 | 10.1021/jm070166b | ||
CHEMBL388308 | 142090 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 498 | 5 | 1 | 2 | 6.4 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCC(N2CCC(c3ccccc3)CC2)C1 | 10.1021/jm070166b | ||
44425641 | 86037 | 0 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 596 | 6 | 1 | 3 | 7.5 | CSC[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
CHEMBL230832 | 86037 | 0 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 596 | 6 | 1 | 3 | 7.5 | CSC[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
86698129 | 126278 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 522 | 5 | 0 | 6 | 3.6 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | ||
CHEMBL3650352 | 126278 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 522 | 5 | 0 | 6 | 3.6 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | ||
46240481 | 83557 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 477 | 6 | 3 | 6 | 1.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3cncnc3)CC2)C1 | 10.1021/ml300260s | ||
CHEMBL2204269 | 83557 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 477 | 6 | 3 | 6 | 1.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3cncnc3)CC2)C1 | 10.1021/ml300260s | ||
56668313 | 65761 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 535 | 8 | 2 | 7 | 4.5 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(C4CCCC4)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834784 | 65761 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 535 | 8 | 2 | 7 | 4.5 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(C4CCCC4)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
44353370 | 23734 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 330 | 4 | 1 | 4 | 3.9 | O=C(O)c1cc2cc(Cl)ccc2n1Cc1cccc([N+](=O)[O-])c1 | 10.1016/j.bmcl.2003.10.049 | ||
CHEMBL133569 | 23734 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 330 | 4 | 1 | 4 | 3.9 | O=C(O)c1cc2cc(Cl)ccc2n1Cc1cccc([N+](=O)[O-])c1 | 10.1016/j.bmcl.2003.10.049 | ||
11678573 | 90610 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 566 | 13 | 1 | 5 | 7.4 | CCN(CC)CCCC(C)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
CHEMBL238936 | 90610 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 566 | 13 | 1 | 5 | 7.4 | CCN(CC)CCCC(C)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
53324141 | 58437 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 511 | 7 | 1 | 5 | 4.3 | CCO[C@H]1COCC[C@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
CHEMBL1683070 | 58437 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 511 | 7 | 1 | 5 | 4.3 | CCO[C@H]1COCC[C@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
11340816 | 74506 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ncccn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
CHEMBL2029413 | 74506 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ncccn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
10182382 | 93933 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 450 | 9 | 4 | 4 | 1.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(N)=O)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL248418 | 93933 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 450 | 9 | 4 | 4 | 1.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(N)=O)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
11678573 | 90610 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 566 | 13 | 1 | 5 | 7.4 | CCN(CC)CCCC(C)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
CHEMBL238936 | 90610 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 566 | 13 | 1 | 5 | 7.4 | CCN(CC)CCCC(C)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
44395055 | 64474 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 453 | 6 | 2 | 3 | 3.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CCCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2004.08.009 | ||
CHEMBL181432 | 64474 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 453 | 6 | 2 | 3 | 3.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CCCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2004.08.009 | ||
44415995 | 80023 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 621 | 7 | 1 | 3 | 6.7 | CC(=O)N1CCCC(C(CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2006.07.011 | ||
CHEMBL212972 | 80023 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 621 | 7 | 1 | 3 | 6.7 | CC(=O)N1CCCC(C(CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2006.07.011 | ||
23656260 | 89043 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 501 | 7 | 2 | 4 | 4.8 | COc1ccc(/C=C/C(=O)N2CCC(C(C(=O)O)N3CCC(c4c[nH]c5ccccc45)CC3)CC2)cc1 | 10.1021/jm070902b | ||
CHEMBL236509 | 89043 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 501 | 7 | 2 | 4 | 4.8 | COc1ccc(/C=C/C(=O)N2CCC(C(C(=O)O)N3CCC(c4c[nH]c5ccccc45)CC3)CC2)cc1 | 10.1021/jm070902b | ||
46842382 | 8311 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 548 | 8 | 2 | 4 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccc(F)cc3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL1092920 | 8311 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 548 | 8 | 2 | 4 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccc(F)cc3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
508744 | 66185 | 1 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 385 | 7 | 2 | 3 | 2.9 | O=C(CNC(=O)c1ccccc1)NCC1CCCN1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2004.08.009 | ||
CHEMBL184474 | 66185 | 1 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 385 | 7 | 2 | 3 | 2.9 | O=C(CNC(=O)c1ccccc1)NCC1CCCN1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2004.08.009 | ||
127025160 | 137400 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 429 | 3 | 1 | 3 | 4.6 | C[C@H]1CC=C(C(=O)NS(=O)(=O)C(F)(F)F)[C@](C)(c2ccc(Cl)c(Cl)c2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
CHEMBL3753428 | 137400 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 429 | 3 | 1 | 3 | 4.6 | C[C@H]1CC=C(C(=O)NS(=O)(=O)C(F)(F)F)[C@](C)(c2ccc(Cl)c(Cl)c2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
57344316 | 68905 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 554 | 7 | 4 | 4 | 5.0 | O=C(NO)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | ||
CHEMBL1922792 | 68905 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 554 | 7 | 4 | 4 | 5.0 | O=C(NO)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | ||
57344230 | 130616 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 491 | 6 | 4 | 3 | 4.7 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)Nc2ccc(F)cc2)CC1 | nan | ||
CHEMBL3681888 | 130616 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 491 | 6 | 4 | 3 | 4.7 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)Nc2ccc(F)cc2)CC1 | nan | ||
11080 | 29054 | 79 | None | -1 | 6 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 185 | 1 | 0 | 2 | 3.6 | S=C=Nc1cccc2ccccc12 | nan | ||
CHEMBL1381098 | 29054 | 79 | None | -1 | 6 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 185 | 1 | 0 | 2 | 3.6 | S=C=Nc1cccc2ccccc12 | nan | ||
9851741 | 80164 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 604 | 7 | 1 | 2 | 8.0 | C[C@H]1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | ||
CHEMBL213601 | 80164 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 604 | 7 | 1 | 2 | 8.0 | C[C@H]1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | ||
44425654 | 86201 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 532 | 5 | 1 | 3 | 6.4 | CS[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
CHEMBL231247 | 86201 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 532 | 5 | 1 | 3 | 6.4 | CS[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
53321484 | 58447 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 510 | 7 | 1 | 6 | 3.5 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](CC2CC2)(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 | 10.1016/j.bmcl.2011.01.015 | ||
CHEMBL1683080 | 58447 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 510 | 7 | 1 | 6 | 3.5 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](CC2CC2)(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 | 10.1016/j.bmcl.2011.01.015 | ||
44442580 | 93518 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 537 | 10 | 4 | 6 | 2.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)cc1[N+](=O)[O-] | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL246409 | 93518 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 537 | 10 | 4 | 6 | 2.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)cc1[N+](=O)[O-] | 10.1016/j.bmcl.2007.07.028 | ||
44413310 | 138934 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 475 | 10 | 2 | 3 | 5.0 | CCN(CC)CCNC(C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | ||
CHEMBL378517 | 138934 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 475 | 10 | 2 | 3 | 5.0 | CCN(CC)CCNC(C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | ||
72948004 | 105231 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 578 | 5 | 1 | 6 | 3.6 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)/C=C/C(C)(C)C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
CHEMBL3115273 | 105231 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 578 | 5 | 1 | 6 | 3.6 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)/C=C/C(C)(C)C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
57656719 | 75187 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 410 | 4 | 1 | 3 | 3.7 | O=C(Nc1ccc(C(F)(F)F)cc1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036767 | 75187 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 410 | 4 | 1 | 3 | 3.7 | O=C(Nc1ccc(C(F)(F)F)cc1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
54580189 | 62539 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 505 | 6 | 1 | 8 | 2.8 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3nc(C(F)(F)F)ns3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1782575 | 62539 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 505 | 6 | 1 | 8 | 2.8 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3nc(C(F)(F)F)ns3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
23656433 | 88734 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 528 | 5 | 3 | 3 | 6.1 | O=C(O)C(C1CCN(C(=O)Nc2cccc(Cl)c2Cl)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
CHEMBL236269 | 88734 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 528 | 5 | 3 | 3 | 6.1 | O=C(O)C(C1CCN(C(=O)Nc2cccc(Cl)c2Cl)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
72945830 | 105200 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 526 | 4 | 1 | 7 | 2.2 | COC(=O)N1C[C@@H]2C[C@@H](NC3CCOCC3OC)C[C@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
CHEMBL3115101 | 105200 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 526 | 4 | 1 | 7 | 2.2 | COC(=O)N1C[C@@H]2C[C@@H](NC3CCOCC3OC)C[C@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
67220645 | 75201 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 399 | 2 | 2 | 4 | 1.6 | CN1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036783 | 75201 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 399 | 2 | 2 | 4 | 1.6 | CN1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
127027955 | 137228 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 278 | 2 | 1 | 1 | 4.3 | Cc1cc([C@]2(C)C[C@@H](C)CC=C2C(=O)O)ccc1Cl | 10.1016/j.bmcl.2015.11.051 | ||
CHEMBL3751958 | 137228 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 278 | 2 | 1 | 1 | 4.3 | Cc1cc([C@]2(C)C[C@@H](C)CC=C2C(=O)O)ccc1Cl | 10.1016/j.bmcl.2015.11.051 | ||
44415898 | 81092 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 536 | 7 | 1 | 2 | 6.8 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(C=Cc3ccccc32)CC1)C1CC1 | 10.1016/j.bmcl.2006.07.011 | ||
CHEMBL215654 | 81092 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 536 | 7 | 1 | 2 | 6.8 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(C=Cc3ccccc32)CC1)C1CC1 | 10.1016/j.bmcl.2006.07.011 | ||
11478362 | 73778 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 547 | 11 | 4 | 4 | 5.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018532 | 73778 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 547 | 11 | 4 | 4 | 5.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
44453592 | 160031 | 24 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 405 | 6 | 2 | 3 | 2.8 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccccc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL410829 | 160031 | 24 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 405 | 6 | 2 | 3 | 2.8 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccccc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
44442582 | 93520 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 536 | 10 | 4 | 5 | 3.3 | COc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1C | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL246411 | 93520 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 536 | 10 | 4 | 5 | 3.3 | COc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1C | 10.1016/j.bmcl.2007.07.028 | ||
9952114 | 124358 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 385 | 6 | 2 | 3 | 2.8 | Cc1cccc(C(=O)NCC(=O)NC2CCN(Cc3ccc(Cl)cc3)C2)c1 | 10.1016/j.bmcl.2004.08.009 | ||
CHEMBL363908 | 124358 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 385 | 6 | 2 | 3 | 2.8 | Cc1cccc(C(=O)NCC(=O)NC2CCN(Cc3ccc(Cl)cc3)C2)c1 | 10.1016/j.bmcl.2004.08.009 | ||
71518408 | 86374 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 449 | 3 | 1 | 3 | 5.2 | O=C(N1CCc2ncc(C(F)(F)F)cc2C1)[C@@]12CCC[C@@H]1C[C@@H](NC1CCCCCC1)C2 | 10.1016/j.bmcl.2012.10.069 | ||
CHEMBL2314058 | 86374 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 449 | 3 | 1 | 3 | 5.2 | O=C(N1CCc2ncc(C(F)(F)F)cc2C1)[C@@]12CCC[C@@H]1C[C@@H](NC1CCCCCC1)C2 | 10.1016/j.bmcl.2012.10.069 | ||
54772206 | 86561 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 514 | 7 | 2 | 7 | 4.0 | COc1cnccc1[C@H]1CC[C@@H](N2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2012.12.017 | ||
CHEMBL2315930 | 86561 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 514 | 7 | 2 | 7 | 4.0 | COc1cnccc1[C@H]1CC[C@@H](N2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2012.12.017 | ||
54772204 | 86563 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 500 | 6 | 3 | 7 | 3.7 | O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccc(O)cn3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | ||
CHEMBL2315932 | 86563 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 500 | 6 | 3 | 7 | 3.7 | O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccc(O)cn3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | ||
54772205 | 86566 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 499 | 6 | 3 | 6 | 4.3 | O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccccc3O)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | ||
CHEMBL2315935 | 86566 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 499 | 6 | 3 | 6 | 4.3 | O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccccc3O)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | ||
72663455 | 129375 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 469 | 4 | 1 | 6 | 2.3 | COC1COCCC1NC1CC2OCCC2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | nan | ||
CHEMBL3671251 | 129375 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 469 | 4 | 1 | 6 | 2.3 | COC1COCCC1NC1CC2OCCC2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | nan | ||
11599317 | 95531 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 555 | 7 | 2 | 4 | 6.0 | COc1ccc2[nH]cc(C3CCN(C(CO)C4CCN(C(=O)/C=C/c5ccc(Cl)c(Cl)c5)CC4)CC3)c2c1 | 10.1016/j.bmcl.2008.05.010 | ||
CHEMBL257628 | 95531 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 555 | 7 | 2 | 4 | 6.0 | COc1ccc2[nH]cc(C3CCN(C(CO)C4CCN(C(=O)/C=C/c5ccc(Cl)c(Cl)c5)CC4)CC3)c2c1 | 10.1016/j.bmcl.2008.05.010 | ||
53324304 | 58434 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 497 | 6 | 1 | 5 | 3.9 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
CHEMBL1683067 | 58434 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 497 | 6 | 1 | 5 | 3.9 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
10228435 | 73688 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 494 | 11 | 5 | 5 | 3.1 | CCC[C@@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1N | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018381 | 73688 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 494 | 11 | 5 | 5 | 3.1 | CCC[C@@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1N | 10.1016/j.bmcl.2012.03.007 | ||
46927117 | 65398 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 490 | 7 | 2 | 5 | 3.4 | COc1ccc([C@H]2CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1016/j.bmcl.2011.06.080 | ||
CHEMBL1829619 | 65398 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 490 | 7 | 2 | 5 | 3.4 | COc1ccc([C@H]2CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1016/j.bmcl.2011.06.080 | ||
56661451 | 65768 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 500 | 6 | 2 | 6 | 4.2 | Cc1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834791 | 65768 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 500 | 6 | 2 | 6 | 4.2 | Cc1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2011.08.074 | ||
44573699 | 187650 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 508 | 6 | 2 | 3 | 5.8 | CC1COCC(C)C1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | ||
CHEMBL495151 | 187650 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 508 | 6 | 2 | 3 | 5.8 | CC1COCC(C)C1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | ||
11306757 | 73708 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 508 | 12 | 5 | 5 | 4.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(NC)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018401 | 73708 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 508 | 12 | 5 | 5 | 4.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(NC)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
57391765 | 70986 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3cccnn3)CC2)C1 | 10.1021/ml200030q | ||
CHEMBL1951774 | 70986 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3cccnn3)CC2)C1 | 10.1021/ml200030q | ||
44425244 | 151780 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 594 | 7 | 2 | 5 | 6.6 | Nc1nc(C(CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
CHEMBL396517 | 151780 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 594 | 7 | 2 | 5 | 6.6 | Nc1nc(C(CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
23630215 | 62514 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 508 | 5 | 1 | 5 | 4.3 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](NC2C3CCCC2COC3)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1782376 | 62514 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 508 | 5 | 1 | 5 | 4.3 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](NC2C3CCCC2COC3)C1 | 10.1016/j.bmcl.2011.01.034 | ||
10120067 | 73700 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 550 | 12 | 5 | 5 | 4.7 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(C)(C)C | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018393 | 73700 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 550 | 12 | 5 | 5 | 4.7 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(C)(C)C | 10.1016/j.bmcl.2012.03.007 | ||
52943756 | 19258 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 489 | 6 | 3 | 4 | 3.3 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1O | 10.1016/j.bmcl.2010.10.020 | ||
CHEMBL1290412 | 19258 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 489 | 6 | 3 | 4 | 3.3 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1O | 10.1016/j.bmcl.2010.10.020 | ||
44425274 | 150834 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 640 | 10 | 2 | 5 | 7.4 | CC(C)C(=O)Nc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
CHEMBL395721 | 150834 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 640 | 10 | 2 | 5 | 7.4 | CC(C)C(=O)Nc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
24801690 | 98013 | 25 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 593 | 9 | 5 | 5 | 4.5 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)cc1 | 10.1021/jm701488f | ||
CHEMBL273083 | 98013 | 25 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 593 | 9 | 5 | 5 | 4.5 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)cc1 | 10.1021/jm701488f | ||
44425647 | 86072 | 0 | None | - | 0 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 542 | 6 | 1 | 2 | 7.4 | CC(C)C[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
CHEMBL231039 | 86072 | 0 | None | - | 0 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 542 | 6 | 1 | 2 | 7.4 | CC(C)C[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
44423282 | 85245 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 522 | 4 | 1 | 2 | 6.6 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CC[C@@H](N2CCC3(C=Cc4ccccc43)CC2)C1 | 10.1021/jm070166b | ||
CHEMBL226017 | 85245 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 522 | 4 | 1 | 2 | 6.6 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CC[C@@H](N2CCC3(C=Cc4ccccc43)CC2)C1 | 10.1021/jm070166b | ||
162648673 | 179926 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 522 | 6 | 3 | 7 | 3.4 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(OC(F)(F)F)cc23)C1=O | 10.1021/acsmedchemlett.1c00082 | ||
CHEMBL4746510 | 179926 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 522 | 6 | 3 | 7 | 3.4 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(OC(F)(F)F)cc23)C1=O | 10.1021/acsmedchemlett.1c00082 | ||
44425633 | 86012 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 578 | 5 | 1 | 2 | 7.8 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
CHEMBL230721 | 86012 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 578 | 5 | 1 | 2 | 7.8 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
44570718 | 183809 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 533 | 9 | 4 | 5 | 3.2 | CC(=O)Nc1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
CHEMBL480621 | 183809 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 533 | 9 | 4 | 5 | 3.2 | CC(=O)Nc1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
11621035 | 154644 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 559 | 6 | 2 | 3 | 5.8 | O=C(O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3cc(Cl)ccc23)CC1 | 10.1021/jm070902b | ||
CHEMBL399616 | 154644 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 559 | 6 | 2 | 3 | 5.8 | O=C(O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3cc(Cl)ccc23)CC1 | 10.1021/jm070902b | ||
10052388 | 187528 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 520 | 7 | 2 | 3 | 5.9 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2C2CC2)C1 | 10.1007/s00044-010-9501-4 | ||
CHEMBL494541 | 187528 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 520 | 7 | 2 | 3 | 5.9 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2C2CC2)C1 | 10.1007/s00044-010-9501-4 | ||
57391768 | 70984 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3ccncn3)CC2)C1 | 10.1021/ml200030q | ||
CHEMBL1951772 | 70984 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3ccncn3)CC2)C1 | 10.1021/ml200030q | ||
44573608 | 187527 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 522 | 8 | 2 | 3 | 6.3 | CCCC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | ||
CHEMBL494540 | 187527 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 522 | 8 | 2 | 3 | 6.3 | CCCC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | ||
11180383 | 77594 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 550 | 8 | 2 | 5 | 4.6 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2012.08.002 | ||
CHEMBL2088211 | 77594 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 550 | 8 | 2 | 5 | 4.6 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2012.08.002 | ||
22143294 | 193402 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 551 | 11 | 4 | 6 | 3.9 | CCCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C1 | 10.1016/j.bmcl.2008.07.123 | ||
CHEMBL526091 | 193402 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 551 | 11 | 4 | 6 | 3.9 | CCCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C1 | 10.1016/j.bmcl.2008.07.123 | ||
49763686 | 65394 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 503 | 7 | 3 | 4 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccc(C(=O)O)cc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
CHEMBL1829615 | 65394 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 503 | 7 | 3 | 4 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccc(C(=O)O)cc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
508750 | 168511 | 1 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 467 | 7 | 2 | 3 | 4.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NCC1CCN(Cc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2004.08.009 | ||
CHEMBL435499 | 168511 | 1 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 467 | 7 | 2 | 3 | 4.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NCC1CCN(Cc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2004.08.009 | ||
127028586 | 137482 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 264 | 2 | 1 | 1 | 4.0 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
CHEMBL3754119 | 137482 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 264 | 2 | 1 | 1 | 4.0 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
11844468 | 139571 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 566 | 9 | 1 | 2 | 8.3 | C[C@@H]1CN(CC[C@H](CNCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CC[C@@H]1c1ccccc1 | 10.1021/jm060439n | ||
CHEMBL379742 | 139571 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 566 | 9 | 1 | 2 | 8.3 | C[C@@H]1CN(CC[C@H](CNCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CC[C@@H]1c1ccccc1 | 10.1021/jm060439n | ||
44395088 | 67141 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 514 | 8 | 1 | 5 | 4.2 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
CHEMBL187701 | 67141 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 514 | 8 | 1 | 5 | 4.2 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
10209102 | 93509 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 540 | 11 | 4 | 4 | 3.6 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NCc2ccccc2)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL246398 | 93509 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 540 | 11 | 4 | 4 | 3.6 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NCc2ccccc2)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
57344320 | 130617 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 527 | 6 | 4 | 3 | 5.0 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)Nc2cc(F)c(F)c(F)c2)CC1 | nan | ||
CHEMBL3681889 | 130617 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 527 | 6 | 4 | 3 | 5.0 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)Nc2cc(F)c(F)c(F)c2)CC1 | nan | ||
72948001 | 105195 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 525 | 4 | 2 | 6 | 1.8 | CNC(=O)N1C[C@@H]2C[C@@H](NC3CCOCC3OC)C[C@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
CHEMBL3115097 | 105195 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 525 | 4 | 2 | 6 | 1.8 | CNC(=O)N1C[C@@H]2C[C@@H](NC3CCOCC3OC)C[C@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
46241611 | 83536 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 506 | 7 | 3 | 6 | 2.5 | COc1cccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)n1 | 10.1021/ml300260s | ||
CHEMBL2204247 | 83536 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 506 | 7 | 3 | 6 | 2.5 | COc1cccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)n1 | 10.1021/ml300260s | ||
57344232 | 130618 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 519 | 7 | 4 | 4 | 5.3 | CSc1cccc(NC(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)c1 | nan | ||
CHEMBL3681890 | 130618 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 519 | 7 | 4 | 4 | 5.3 | CSc1cccc(NC(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)c1 | nan | ||
44395126 | 65383 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 494 | 8 | 2 | 6 | 3.6 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccccc3)c3cccc(O)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
CHEMBL182958 | 65383 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 494 | 8 | 2 | 6 | 3.6 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccccc3)c3cccc(O)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
44395126 | 65383 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 494 | 8 | 2 | 6 | 3.6 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccccc3)c3cccc(O)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.009 | ||
CHEMBL182958 | 65383 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 494 | 8 | 2 | 6 | 3.6 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccccc3)c3cccc(O)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.009 | ||
57656915 | 75190 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 342 | 4 | 1 | 3 | 2.7 | O=C(Nc1ccccc1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036772 | 75190 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 342 | 4 | 1 | 3 | 2.7 | O=C(Nc1ccccc1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
11341950 | 73777 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 557 | 11 | 4 | 4 | 4.8 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(Br)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018531 | 73777 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 557 | 11 | 4 | 4 | 4.8 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(Br)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
42632836 | 93357 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 407 | 5 | 1 | 2 | 5.0 | C[N+](C)(Cc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
CHEMBL245696 | 93357 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 407 | 5 | 1 | 2 | 5.0 | C[N+](C)(Cc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
68004094 | 86572 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 505 | 6 | 3 | 7 | 3.8 | O=C(CNc1ccnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@](O)(c3cncs3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | ||
CHEMBL2315941 | 86572 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 505 | 6 | 3 | 7 | 3.8 | O=C(CNc1ccnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@](O)(c3cncs3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | ||
57396900 | 70493 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 399 | 6 | 2 | 3 | 3.2 | CC(C)N(C)[C@H]1CC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)CC1 | 10.1016/j.bmcl.2011.12.057 | ||
CHEMBL1947040 | 70493 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 399 | 6 | 2 | 3 | 3.2 | CC(C)N(C)[C@H]1CC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)CC1 | 10.1016/j.bmcl.2011.12.057 | ||
44416041 | 80403 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 530 | 8 | 1 | 2 | 6.8 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC(c2ccc(F)cc2)CC1)C1CC1 | 10.1016/j.bmcl.2006.07.011 | ||
CHEMBL214647 | 80403 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 530 | 8 | 1 | 2 | 6.8 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC(c2ccc(F)cc2)CC1)C1CC1 | 10.1016/j.bmcl.2006.07.011 | ||
44416015 | 81104 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 538 | 7 | 1 | 2 | 7.1 | CC(C)[C@@H](CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | ||
CHEMBL215689 | 81104 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 538 | 7 | 1 | 2 | 7.1 | CC(C)[C@@H](CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | ||
44413144 | 139194 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 465 | 8 | 2 | 3 | 4.4 | CN(C)CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1 | 10.1016/j.bmcl.2006.07.011 | ||
CHEMBL378784 | 139194 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 465 | 8 | 2 | 3 | 4.4 | CN(C)CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1 | 10.1016/j.bmcl.2006.07.011 | ||
44413144 | 139194 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 465 | 8 | 2 | 3 | 4.4 | CN(C)CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1 | 10.1021/jm060439n | ||
CHEMBL378784 | 139194 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 465 | 8 | 2 | 3 | 4.4 | CN(C)CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1 | 10.1021/jm060439n | ||
23656434 | 89589 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 528 | 5 | 3 | 3 | 6.1 | O=C(O)C(C1CCN(C(=O)Nc2cc(Cl)cc(Cl)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
CHEMBL237538 | 89589 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 528 | 5 | 3 | 3 | 6.1 | O=C(O)C(C1CCN(C(=O)Nc2cc(Cl)cc(Cl)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
44442569 | 93706 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 556 | 10 | 4 | 6 | 2.0 | CC(C)(C)NC(=O)[C@H](CNCc1ccc(S(C)(=O)=O)cc1)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL247213 | 93706 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 556 | 10 | 4 | 6 | 2.0 | CC(C)(C)NC(=O)[C@H](CNCc1ccc(S(C)(=O)=O)cc1)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | ||
44415958 | 80470 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 578 | 7 | 1 | 2 | 8.0 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(C=Cc3ccccc32)CC1)C1CCCCC1 | 10.1016/j.bmcl.2006.07.011 | ||
CHEMBL214747 | 80470 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 578 | 7 | 1 | 2 | 8.0 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(C=Cc3ccccc32)CC1)C1CCCCC1 | 10.1016/j.bmcl.2006.07.011 | ||
11563451 | 151894 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 608 | 15 | 1 | 5 | 8.4 | CCN(CC)CCCC(CC(C)C)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
CHEMBL396621 | 151894 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 608 | 15 | 1 | 5 | 8.4 | CCN(CC)CCCC(CC(C)C)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
44453533 | 97852 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 420 | 6 | 3 | 4 | 2.7 | Nc1ccc(Cl)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL272330 | 97852 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 420 | 6 | 3 | 4 | 2.7 | Nc1ccc(Cl)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
10008367 | 2009 | 50 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@@H]1CC[C@](CC1)(O)c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2010.10.020 | ||
777 | 2009 | 50 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@@H]1CC[C@](CC1)(O)c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2010.10.020 | ||
CHEMBL1289316 | 2009 | 50 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@@H]1CC[C@](CC1)(O)c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2010.10.020 | ||
CHEMBL2426341 | 2009 | 50 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@@H]1CC[C@](CC1)(O)c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2010.10.020 | ||
11563451 | 151894 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 608 | 15 | 1 | 5 | 8.4 | CCN(CC)CCCC(CC(C)C)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
CHEMBL396621 | 151894 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 608 | 15 | 1 | 5 | 8.4 | CCN(CC)CCCC(CC(C)C)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
44425321 | 86107 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 740 | 10 | 2 | 5 | 9.0 | CC(C(=O)Nc1nc(C(CCN2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1)c1ccccc1 | 10.1016/j.bmcl.2006.10.059 | ||
CHEMBL231150 | 86107 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 740 | 10 | 2 | 5 | 9.0 | CC(C(=O)Nc1nc(C(CCN2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1)c1ccccc1 | 10.1016/j.bmcl.2006.10.059 | ||
44425651 | 143152 | 0 | None | - | 0 | Mouse | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 530 | 6 | 1 | 3 | 6.0 | COCC1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
CHEMBL389610 | 143152 | 0 | None | - | 0 | Mouse | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 530 | 6 | 1 | 3 | 6.0 | COCC1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
56643545 | 130598 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(N[C@H]1CC[C@@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | nan | ||
CHEMBL3681871 | 130598 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(N[C@H]1CC[C@@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | nan | ||
10025168 | 66956 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 420 | 5 | 2 | 5 | 2.7 | Cc1csc(C(=O)NNC(=O)CN2CCCN(Cc3ccc(Cl)cc3)CC2)c1 | 10.1016/j.bmcl.2004.08.008 | ||
CHEMBL186855 | 66956 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 420 | 5 | 2 | 5 | 2.7 | Cc1csc(C(=O)NNC(=O)CN2CCCN(Cc3ccc(Cl)cc3)CC2)c1 | 10.1016/j.bmcl.2004.08.008 | ||
10025168 | 66956 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 420 | 5 | 2 | 5 | 2.7 | Cc1csc(C(=O)NNC(=O)CN2CCCN(Cc3ccc(Cl)cc3)CC2)c1 | 10.1016/j.bmcl.2004.08.009 | ||
CHEMBL186855 | 66956 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 420 | 5 | 2 | 5 | 2.7 | Cc1csc(C(=O)NNC(=O)CN2CCCN(Cc3ccc(Cl)cc3)CC2)c1 | 10.1016/j.bmcl.2004.08.009 | ||
44395036 | 125026 | 0 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 399 | 7 | 2 | 3 | 3.2 | O=C(CCNC(=O)c1ccccc1)NC1CCCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2004.08.009 | ||
CHEMBL364405 | 125026 | 0 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 399 | 7 | 2 | 3 | 3.2 | O=C(CCNC(=O)c1ccccc1)NC1CCCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2004.08.009 | ||
127027625 | 137229 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 366 | 2 | 1 | 1 | 5.4 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
CHEMBL3751959 | 137229 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 366 | 2 | 1 | 1 | 5.4 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
22143293 | 188003 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 495 | 8 | 5 | 6 | 2.4 | CSc1ccc(CNC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
CHEMBL497577 | 188003 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 495 | 8 | 5 | 6 | 2.4 | CSc1ccc(CNC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
57343816 | 130601 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 552 | 7 | 3 | 3 | 5.6 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cccc(C(F)(F)F)c2)CC1 | nan | ||
CHEMBL3681874 | 130601 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 552 | 7 | 3 | 3 | 5.6 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cccc(C(F)(F)F)c2)CC1 | nan | ||
53320974 | 58662 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 464 | 4 | 1 | 4 | 2.8 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)N2CCCCC2)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2011.01.052 | ||
CHEMBL1684715 | 58662 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 464 | 4 | 1 | 4 | 2.8 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)N2CCCCC2)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2011.01.052 | ||
57344314 | 68901 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 553 | 7 | 2 | 4 | 5.7 | COC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | ||
CHEMBL1922788 | 68901 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 553 | 7 | 2 | 4 | 5.7 | COC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | ||
44442564 | 93511 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 492 | 9 | 4 | 4 | 2.9 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)cc1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL246400 | 93511 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 492 | 9 | 4 | 4 | 2.9 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)cc1 | 10.1016/j.bmcl.2007.07.028 | ||
46842236 | 7835 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 598 | 8 | 2 | 4 | 4.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL1089849 | 7835 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 598 | 8 | 2 | 4 | 4.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
44413411 | 77709 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 501 | 8 | 2 | 3 | 5.4 | CC1CCN(CCN[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)CC1 | 10.1016/j.bmcl.2006.04.045 | ||
CHEMBL209002 | 77709 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 501 | 8 | 2 | 3 | 5.4 | CC1CCN(CCN[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)CC1 | 10.1016/j.bmcl.2006.04.045 | ||
44453507 | 168954 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 531 | 7 | 2 | 3 | 5.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccccc2-c2ccc3ccccc3c2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL439062 | 168954 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 531 | 7 | 2 | 3 | 5.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccccc2-c2ccc3ccccc3c2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
69286108 | 121207 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 505 | 9 | 2 | 4 | 4.5 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](COc2ccccc2)C1 | 10.1021/ml500505q | ||
CHEMBL3577941 | 121207 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 505 | 9 | 2 | 4 | 4.5 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](COc2ccccc2)C1 | 10.1021/ml500505q | ||
71518574 | 86362 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 467 | 4 | 1 | 5 | 3.3 | COC1COCCC1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
CHEMBL2313784 | 86362 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 467 | 4 | 1 | 5 | 3.3 | COC1COCCC1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
89823496 | 126289 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 507 | 5 | 1 | 5 | 3.8 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(C(F)(F)F)c2)C1 | nan | ||
CHEMBL3650363 | 126289 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 507 | 5 | 1 | 5 | 3.8 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(C(F)(F)F)c2)C1 | nan | ||
89823439 | 126273 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 3.2 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | ||
CHEMBL3650347 | 126273 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 3.2 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | ||
44573568 | 187446 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 512 | 6 | 2 | 2 | 6.8 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCc3ccccc32)C1 | 10.1007/s00044-010-9501-4 | ||
CHEMBL494019 | 187446 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 512 | 6 | 2 | 2 | 6.8 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCc3ccccc32)C1 | 10.1007/s00044-010-9501-4 | ||
44439164 | 90744 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 610 | 13 | 4 | 7 | 5.1 | COC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
CHEMBL239169 | 90744 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 610 | 13 | 4 | 7 | 5.1 | COC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
44439164 | 90744 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 610 | 13 | 4 | 7 | 5.1 | COC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
CHEMBL239169 | 90744 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 610 | 13 | 4 | 7 | 5.1 | COC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
44573650 | 193186 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 564 | 6 | 3 | 4 | 5.2 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2(O)C(F)(F)F)C1 | 10.1016/j.bmcl.2008.12.050 | ||
CHEMBL523503 | 193186 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 564 | 6 | 3 | 4 | 5.2 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2(O)C(F)(F)F)C1 | 10.1016/j.bmcl.2008.12.050 | ||
10323468 | 187648 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 494 | 6 | 2 | 3 | 5.7 | CC1CC(N[C@@H]2CC[C@@](C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(C)C)C2)CCO1 | 10.1007/s00044-010-9501-4 | ||
CHEMBL495149 | 187648 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 494 | 6 | 2 | 3 | 5.7 | CC1CC(N[C@@H]2CC[C@@](C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(C)C)C2)CCO1 | 10.1007/s00044-010-9501-4 | ||
72948001 | 105195 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 525 | 4 | 2 | 6 | 1.8 | CNC(=O)N1C[C@@H]2C[C@@H](NC3CCOCC3OC)C[C@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
CHEMBL3115097 | 105195 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 525 | 4 | 2 | 6 | 1.8 | CNC(=O)N1C[C@@H]2C[C@@H](NC3CCOCC3OC)C[C@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
44573568 | 187446 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 512 | 6 | 2 | 2 | 6.8 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCc3ccccc32)C1 | 10.1016/j.bmcl.2008.12.050 | ||
CHEMBL494019 | 187446 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 512 | 6 | 2 | 2 | 6.8 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCc3ccccc32)C1 | 10.1016/j.bmcl.2008.12.050 | ||
72947593 | 105211 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 468 | 4 | 2 | 6 | 1.7 | COC1COCCC1N[C@@H]1C[C@H]2CNC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
CHEMBL3115112 | 105211 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 468 | 4 | 2 | 6 | 1.7 | COC1COCCC1N[C@@H]1C[C@H]2CNC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
44413144 | 139194 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 465 | 8 | 2 | 3 | 4.4 | CN(C)CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1 | 10.1016/j.bmcl.2006.04.045 | ||
CHEMBL378784 | 139194 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 465 | 8 | 2 | 3 | 4.4 | CN(C)CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1 | 10.1016/j.bmcl.2006.04.045 | ||
44442544 | 93737 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 520 | 10 | 4 | 4 | 3.6 | Cc1ccc(CNCC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL247407 | 93737 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 520 | 10 | 4 | 4 | 3.6 | Cc1ccc(CNCC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
44353190 | 116540 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 349 | 4 | 1 | 3 | 4.7 | COc1c(C(=O)O)n(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 | 10.1016/j.bmcl.2003.10.049 | ||
CHEMBL336421 | 116540 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 349 | 4 | 1 | 3 | 4.7 | COc1c(C(=O)O)n(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 | 10.1016/j.bmcl.2003.10.049 | ||
46240785 | 83553 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 510 | 7 | 3 | 6 | 3.1 | CCc1ncc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)s1 | 10.1021/ml300260s | ||
CHEMBL2204264 | 83553 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 510 | 7 | 3 | 6 | 3.1 | CCc1ncc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)s1 | 10.1021/ml300260s | ||
72947593 | 105211 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 468 | 4 | 2 | 6 | 1.7 | COC1COCCC1N[C@@H]1C[C@H]2CNC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
CHEMBL3115112 | 105211 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 468 | 4 | 2 | 6 | 1.7 | COC1COCCC1N[C@@H]1C[C@H]2CNC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
70692344 | 75169 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 370 | 3 | 2 | 3 | 3.1 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(CC2CCCNC2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036749 | 75169 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 370 | 3 | 2 | 3 | 3.1 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(CC2CCCNC2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
11844083 | 77964 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 581 | 8 | 1 | 3 | 6.9 | CC1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CCN1c1ccccc1 | 10.1021/jm060439n | ||
CHEMBL209696 | 77964 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 581 | 8 | 1 | 3 | 6.9 | CC1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CCN1c1ccccc1 | 10.1021/jm060439n | ||
44395238 | 123819 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 406 | 6 | 3 | 5 | 2.3 | Cc1csc(C(=O)NNC(=O)CN2CCC(NCc3ccc(Cl)cc3)C2)c1 | 10.1016/j.bmcl.2004.08.009 | ||
CHEMBL362536 | 123819 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 406 | 6 | 3 | 5 | 2.3 | Cc1csc(C(=O)NNC(=O)CN2CCC(NCc3ccc(Cl)cc3)C2)c1 | 10.1016/j.bmcl.2004.08.009 | ||
42632830 | 93356 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 407 | 5 | 1 | 2 | 5.0 | C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
CHEMBL245694 | 93356 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 407 | 5 | 1 | 2 | 5.0 | C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
44416156 | 81123 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 657 | 8 | 1 | 4 | 6.1 | CS(=O)(=O)N1CCCC(C(CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2006.07.011 | ||
CHEMBL215768 | 81123 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 657 | 8 | 1 | 4 | 6.1 | CS(=O)(=O)N1CCCC(C(CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2006.07.011 | ||
24801345 | 97826 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 475 | 6 | 3 | 3 | 3.9 | Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)c(C)c1 | 10.1021/jm701488f | ||
CHEMBL272167 | 97826 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 475 | 6 | 3 | 3 | 3.9 | Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)c(C)c1 | 10.1021/jm701488f | ||
44453171 | 95708 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 449 | 6 | 2 | 3 | 3.2 | O=C(CNC(=O)c1cccc(Br)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL258364 | 95708 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 449 | 6 | 2 | 3 | 3.2 | O=C(CNC(=O)c1cccc(Br)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
10300705 | 97870 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 501 | 7 | 3 | 3 | 5.0 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@@H]1NCc1ccc(Cl)cc1Cl | 10.1021/jm701488f | ||
CHEMBL272407 | 97870 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 501 | 7 | 3 | 3 | 5.0 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@@H]1NCc1ccc(Cl)cc1Cl | 10.1021/jm701488f | ||
53325639 | 58440 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
CHEMBL1683073 | 58440 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
57402059 | 70313 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 553 | 9 | 2 | 5 | 3.9 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
CHEMBL1944780 | 70313 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 553 | 9 | 2 | 5 | 3.9 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
44425319 | 86306 | 0 | None | - | 0 | Mouse | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 727 | 10 | 2 | 6 | 7.9 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)Cc3ccccn3)n2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | ||
CHEMBL231340 | 86306 | 0 | None | - | 0 | Mouse | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 727 | 10 | 2 | 6 | 7.9 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)Cc3ccccn3)n2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | ||
46241011 | 83546 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 483 | 6 | 3 | 7 | 1.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3nncs3)CC2)C1 | 10.1021/ml300260s | ||
CHEMBL2204257 | 83546 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 483 | 6 | 3 | 7 | 1.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3nncs3)CC2)C1 | 10.1021/ml300260s | ||
44444114 | 94180 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 460 | 6 | 1 | 2 | 5.4 | O=C(/C=C/c1cc(F)cc(F)c1)NC1CCC(CN2CCC(c3ccc(F)c(F)c3)CC2)C1 | 10.1016/j.bmcl.2007.07.065 | ||
CHEMBL249811 | 94180 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 460 | 6 | 1 | 2 | 5.4 | O=C(/C=C/c1cc(F)cc(F)c1)NC1CCC(CN2CCC(c3ccc(F)c(F)c3)CC2)C1 | 10.1016/j.bmcl.2007.07.065 | ||
24801180 | 98012 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 467 | 7 | 3 | 3 | 4.3 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@H]1NCc1ccc(Cl)cc1 | 10.1021/jm701488f | ||
CHEMBL273079 | 98012 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 467 | 7 | 3 | 3 | 4.3 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@H]1NCc1ccc(Cl)cc1 | 10.1021/jm701488f | ||
122181145 | 121807 | 0 | None | - | 0 | Mouse | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 528 | 6 | 1 | 3 | 6.1 | CC1Cc2ccccc2C2(CCN(CCCC(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)O1 | 10.1016/j.bmc.2015.02.019 | ||
CHEMBL3589840 | 121807 | 0 | None | - | 0 | Mouse | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 528 | 6 | 1 | 3 | 6.1 | CC1Cc2ccccc2C2(CCN(CCCC(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)O1 | 10.1016/j.bmc.2015.02.019 | ||
44395232 | 66968 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 508 | 9 | 1 | 6 | 3.9 | COc1cccc(C(O)(CCN2CCCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)c2ccccc2)c1 | 10.1016/j.bmcl.2004.08.008 | ||
CHEMBL186913 | 66968 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 508 | 9 | 1 | 6 | 3.9 | COc1cccc(C(O)(CCN2CCCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)c2ccccc2)c1 | 10.1016/j.bmcl.2004.08.008 | ||
71518727 | 86378 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 451 | 3 | 1 | 4 | 4.1 | O=C(N1CCc2ncc(C(F)(F)F)cc2C1)[C@@]12CCCC[C@@H]1C[C@@H](NC1CCOCC1)C2 | 10.1016/j.bmcl.2012.10.069 | ||
CHEMBL2314064 | 86378 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 451 | 3 | 1 | 4 | 4.1 | O=C(N1CCc2ncc(C(F)(F)F)cc2C1)[C@@]12CCCC[C@@H]1C[C@@H](NC1CCOCC1)C2 | 10.1016/j.bmcl.2012.10.069 | ||
57656808 | 75194 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 399 | 4 | 2 | 4 | 2.4 | CCN1CCNC(CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036776 | 75194 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 399 | 4 | 2 | 4 | 2.4 | CCN1CCNC(CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
54768838 | 86568 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 520 | 6 | 3 | 8 | 3.5 | Cc1nc(NCC(=O)NC2CN([C@H]3CC[C@@](O)(c4cncs4)CC3)C2)c2cc(C(F)(F)F)ccc2n1 | 10.1016/j.bmcl.2012.12.017 | ||
CHEMBL2315937 | 86568 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 520 | 6 | 3 | 8 | 3.5 | Cc1nc(NCC(=O)NC2CN([C@H]3CC[C@@](O)(c4cncs4)CC3)C2)c2cc(C(F)(F)F)ccc2n1 | 10.1016/j.bmcl.2012.12.017 | ||
57344295 | 130599 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 541 | 6 | 4 | 3 | 5.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 | nan | ||
CHEMBL3681872 | 130599 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 541 | 6 | 4 | 3 | 5.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 | nan | ||
57344303 | 130622 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 538 | 7 | 3 | 3 | 5.0 | NC(=O)C(N[C@H]1CC[C@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | ||
CHEMBL3681894 | 130622 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 538 | 7 | 3 | 3 | 5.0 | NC(=O)C(N[C@H]1CC[C@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | ||
44425635 | 153508 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 592 | 6 | 1 | 2 | 8.2 | CC(C)C[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
CHEMBL398000 | 153508 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 592 | 6 | 1 | 2 | 8.2 | CC(C)C[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
44413076 | 140123 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 475 | 9 | 1 | 3 | 5.0 | CN(C)CCCN(C)[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | ||
CHEMBL380258 | 140123 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 475 | 9 | 1 | 3 | 5.0 | CN(C)CCCN(C)[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | ||
44425652 | 168744 | 0 | None | - | 0 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 526 | 5 | 1 | 2 | 6.7 | C[C@H]1CN([C@@H]2CC[C@@](C(=O)NCc3cc(F)cc(C(F)(F)F)c3)(C3CC3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
CHEMBL437359 | 168744 | 0 | None | - | 0 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 526 | 5 | 1 | 2 | 6.7 | C[C@H]1CN([C@@H]2CC[C@@](C(=O)NCc3cc(F)cc(C(F)(F)F)c3)(C3CC3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
10312346 | 188438 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 614 | 9 | 3 | 6 | 4.4 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N(C)C)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL502795 | 188438 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 614 | 9 | 3 | 6 | 4.4 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N(C)C)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
50991056 | 62536 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)cnn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1782572 | 62536 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)cnn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
10218843 | 172762 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 633 | 11 | 3 | 6 | 5.1 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](NCc3ccccc3)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
CHEMBL451340 | 172762 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 633 | 11 | 3 | 6 | 5.1 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](NCc3ccccc3)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
44425651 | 143152 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 530 | 6 | 1 | 3 | 6.0 | COCC1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
CHEMBL389610 | 143152 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 530 | 6 | 1 | 3 | 6.0 | COCC1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
53319664 | 58647 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 461 | 6 | 1 | 5 | 2.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CCCC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.052 | ||
CHEMBL1684700 | 58647 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 461 | 6 | 1 | 5 | 2.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CCCC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.052 | ||
53322810 | 58442 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3nccc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1683075 | 58442 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3nccc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
44593561 | 12631 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 452 | 6 | 2 | 3 | 4.5 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2COC2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
CHEMBL1187238 | 12631 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 452 | 6 | 2 | 3 | 4.5 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2COC2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
CHEMBL494580 | 12631 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 452 | 6 | 2 | 3 | 4.5 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2COC2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
71768689 | 111084 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 469 | 4 | 1 | 6 | 2.3 | CO[C@H]1COCC[C@H]1N[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
CHEMBL3263269 | 111084 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 469 | 4 | 1 | 6 | 2.3 | CO[C@H]1COCC[C@H]1N[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
22143346 | 172627 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 634 | 11 | 4 | 6 | 4.5 | CCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCCC2)C1 | 10.1016/j.bmcl.2008.07.123 | ||
CHEMBL449672 | 172627 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 634 | 11 | 4 | 6 | 4.5 | CCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCCC2)C1 | 10.1016/j.bmcl.2008.07.123 | ||
54580188 | 62537 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 504 | 6 | 1 | 7 | 3.4 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3ncc(C(F)(F)F)s3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1782573 | 62537 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 504 | 6 | 1 | 7 | 3.4 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3ncc(C(F)(F)F)s3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
11606702 | 145729 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 580 | 14 | 1 | 5 | 7.8 | CCC(CCCN(CC)CC)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
CHEMBL391662 | 145729 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 580 | 14 | 1 | 5 | 7.8 | CCC(CCCN(CC)CC)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
44449175 | 95477 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 552 | 7 | 2 | 3 | 5.2 | CC(=O)NCC(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
CHEMBL257351 | 95477 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 552 | 7 | 2 | 3 | 5.2 | CC(=O)NCC(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
49763685 | 65393 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 517 | 7 | 2 | 5 | 3.7 | COC(=O)c1ccc([C@H]2CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2011.06.080 | ||
CHEMBL1829614 | 65393 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 517 | 7 | 2 | 5 | 3.7 | COC(=O)c1ccc([C@H]2CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2011.06.080 | ||
44612590 | 137445 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 298 | 2 | 1 | 1 | 4.7 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2ccc(Cl)c(Cl)c2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
CHEMBL3753813 | 137445 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 298 | 2 | 1 | 1 | 4.7 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2ccc(Cl)c(Cl)c2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
44415899 | 80045 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 550 | 7 | 1 | 2 | 7.1 | C[C@H]1CN(CC[C@@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CC2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | ||
CHEMBL213058 | 80045 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 550 | 7 | 1 | 2 | 7.1 | C[C@H]1CN(CC[C@@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CC2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | ||
11844212 | 98621 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 590 | 7 | 1 | 2 | 7.7 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC2(C=Cc3ccccc32)CC1)c1ccc(F)cc1 | 10.1016/j.bmcl.2006.07.011 | ||
CHEMBL277279 | 98621 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 590 | 7 | 1 | 2 | 7.7 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC2(C=Cc3ccccc32)CC1)c1ccc(F)cc1 | 10.1016/j.bmcl.2006.07.011 | ||
44415995 | 80023 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 621 | 7 | 1 | 3 | 6.7 | CC(=O)N1CCCC(C(CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2006.07.011 | ||
CHEMBL212972 | 80023 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 621 | 7 | 1 | 3 | 6.7 | CC(=O)N1CCCC(C(CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2006.07.011 | ||
25007995 | 154847 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 472 | 7 | 1 | 3 | 5.3 | COc1ccc(C2CCN(C[C@@H]3CC[C@H](NC(=O)/C=C/c4cc(F)c(F)c(F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | ||
CHEMBL400680 | 154847 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 472 | 7 | 1 | 3 | 5.3 | COc1ccc(C2CCN(C[C@@H]3CC[C@H](NC(=O)/C=C/c4cc(F)c(F)c(F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | ||
11844212 | 98621 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 590 | 7 | 1 | 2 | 7.7 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC2(C=Cc3ccccc32)CC1)c1ccc(F)cc1 | 10.1021/jm060439n | ||
CHEMBL277279 | 98621 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 590 | 7 | 1 | 2 | 7.7 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC2(C=Cc3ccccc32)CC1)c1ccc(F)cc1 | 10.1021/jm060439n | ||
11662833 | 89159 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 471 | 6 | 2 | 3 | 4.8 | O=C(O)C(C1CCN(C(=O)/C=C/c2ccccc2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
CHEMBL236721 | 89159 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 471 | 6 | 2 | 3 | 4.8 | O=C(O)C(C1CCN(C(=O)/C=C/c2ccccc2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
122181235 | 121824 | 0 | None | - | 0 | Mouse | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 572 | 7 | 1 | 3 | 6.7 | CC1Cc2ccccc2C2(CCN(CCC(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)c3ccc(F)cc3)CC2)O1 | 10.1016/j.bmc.2015.02.019 | ||
CHEMBL3589949 | 121824 | 0 | None | - | 0 | Mouse | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 572 | 7 | 1 | 3 | 6.7 | CC1Cc2ccccc2C2(CCN(CCC(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)c3ccc(F)cc3)CC2)O1 | 10.1016/j.bmc.2015.02.019 | ||
44416125 | 80892 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 569 | 7 | 2 | 4 | 5.5 | COC(=O)NC(CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | ||
CHEMBL215333 | 80892 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 569 | 7 | 2 | 4 | 5.5 | COC(=O)NC(CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | ||
57344300 | 130619 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 509 | 6 | 4 | 3 | 4.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)Nc2ccc(F)c(F)c2)CC1 | nan | ||
CHEMBL3681891 | 130619 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 509 | 6 | 4 | 3 | 4.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)Nc2ccc(F)c(F)c2)CC1 | nan | ||
71517577 | 86341 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 510 | 5 | 1 | 6 | 2.9 | COC1COCCC1N[C@@H]1C[C@H]2C[C@H](N(C)C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
CHEMBL2313762 | 86341 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 510 | 5 | 1 | 6 | 2.9 | COC1COCCC1N[C@@H]1C[C@H]2C[C@H](N(C)C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
76314234 | 105196 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 553 | 5 | 2 | 6 | 2.6 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)NC(C)C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
CHEMBL3115098 | 105196 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 553 | 5 | 2 | 6 | 2.6 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)NC(C)C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
44425318 | 150287 | 0 | None | - | 0 | Mouse | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 732 | 10 | 2 | 6 | 8.5 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)Cc3cccs3)n2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | ||
CHEMBL395289 | 150287 | 0 | None | - | 0 | Mouse | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 732 | 10 | 2 | 6 | 8.5 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)Cc3cccs3)n2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | ||
90656021 | 111089 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 511 | 5 | 1 | 8 | 1.6 | COC1COCCC1N[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CC3CC2CN3c2nccc(C(F)(F)F)n2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
CHEMBL3263274 | 111089 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 511 | 5 | 1 | 8 | 1.6 | COC1COCCC1N[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CC3CC2CN3c2nccc(C(F)(F)F)n2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
89823460 | 126313 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 532 | 5 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C#N)cc(C(F)(F)F)c2)C1 | nan | ||
CHEMBL3650387 | 126313 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 532 | 5 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C#N)cc(C(F)(F)F)c2)C1 | nan | ||
72946200 | 105205 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 570 | 7 | 1 | 8 | 2.2 | COCCOC(=O)N1C[C@@H]2C[C@@H](NC3CCOCC3OC)C[C@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
CHEMBL3115106 | 105205 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 570 | 7 | 1 | 8 | 2.2 | COCCOC(=O)N1C[C@@H]2C[C@@H](NC3CCOCC3OC)C[C@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
56668309 | 65746 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 558 | 6 | 3 | 8 | 3.6 | NC(=O)n1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4ccc5c(c4)OCO5)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834718 | 65746 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 558 | 6 | 3 | 8 | 3.6 | NC(=O)n1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4ccc5c(c4)OCO5)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
127028591 | 137429 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 244 | 2 | 1 | 1 | 3.8 | Cc1ccc([C@]2(C)CCCC=C2C(=O)O)cc1C | 10.1016/j.bmcl.2015.11.051 | ||
CHEMBL3753683 | 137429 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 244 | 2 | 1 | 1 | 3.8 | Cc1ccc([C@]2(C)CCCC=C2C(=O)O)cc1C | 10.1016/j.bmcl.2015.11.051 | ||
89823691 | 126292 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 526 | 5 | 1 | 6 | 3.4 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccc(C(F)(F)F)c2F)C1 | nan | ||
CHEMBL3650366 | 126292 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 526 | 5 | 1 | 6 | 3.4 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccc(C(F)(F)F)c2F)C1 | nan | ||
11843812 | 79875 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 563 | 9 | 2 | 3 | 6.6 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCC(c2ccccc2)CC1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | ||
CHEMBL212423 | 79875 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 563 | 9 | 2 | 3 | 6.6 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCC(c2ccccc2)CC1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | ||
57344307 | 130625 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 539 | 7 | 3 | 4 | 4.4 | NC(=O)C(N[C@H]1CC[C@H](c2c[nH]c3ccncc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | ||
CHEMBL3681897 | 130625 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 539 | 7 | 3 | 4 | 4.4 | NC(=O)C(N[C@H]1CC[C@H](c2c[nH]c3ccncc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | ||
89823344 | 126324 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 589 | 5 | 0 | 5 | 5.2 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccc2C(F)(F)F)C1 | nan | ||
CHEMBL3650397 | 126324 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 589 | 5 | 0 | 5 | 5.2 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccc2C(F)(F)F)C1 | nan | ||
11843812 | 79875 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 563 | 9 | 2 | 3 | 6.6 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCC(c2ccccc2)CC1)c1ccccc1 | 10.1021/jm060439n | ||
CHEMBL212423 | 79875 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 563 | 9 | 2 | 3 | 6.6 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCC(c2ccccc2)CC1)c1ccccc1 | 10.1021/jm060439n | ||
89823453 | 126331 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 464 | 3 | 0 | 5 | 3.2 | O=C(N1C[C@@H]2C[C@H]1CN2c1cc(C(F)(F)F)ccn1)[C@@]12CCC[C@@H]1C[C@@H](N1CCOCC1)C2 | nan | ||
CHEMBL3650403 | 126331 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 464 | 3 | 0 | 5 | 3.2 | O=C(N1C[C@@H]2C[C@H]1CN2c1cc(C(F)(F)F)ccn1)[C@@]12CCC[C@@H]1C[C@@H](N1CCOCC1)C2 | nan | ||
508729 | 95506 | 1 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 416 | 7 | 2 | 5 | 2.4 | O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL257510 | 95506 | 1 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 416 | 7 | 2 | 5 | 2.4 | O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
46884855 | 8271 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 548 | 8 | 2 | 4 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3cccc(F)c3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL1092656 | 8271 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 548 | 8 | 2 | 4 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3cccc(F)c3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
44413399 | 79500 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 501 | 8 | 2 | 3 | 5.5 | CC1CCCCN1CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | ||
CHEMBL211404 | 79500 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 501 | 8 | 2 | 3 | 5.5 | CC1CCCCN1CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | ||
70687886 | 74501 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 487 | 6 | 1 | 3 | 4.7 | CN([C@H]1CC[C@@H](c2ccccc2)CC1)[C@H]1CCN(C(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C1 | 10.1021/ml200199c | ||
CHEMBL2029408 | 74501 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 487 | 6 | 1 | 3 | 4.7 | CN([C@H]1CC[C@@H](c2ccccc2)CC1)[C@H]1CCN(C(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C1 | 10.1021/ml200199c | ||
44573451 | 187543 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 466 | 6 | 2 | 3 | 4.9 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOC2)C1 | 10.1007/s00044-010-9501-4 | ||
CHEMBL494591 | 187543 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 466 | 6 | 2 | 3 | 4.9 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOC2)C1 | 10.1007/s00044-010-9501-4 | ||
25008849 | 94151 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 472 | 7 | 1 | 3 | 5.3 | COc1ccc(C2CCN(C[C@H]3CC[C@@H](NC(=O)/C=C/c4cc(F)c(F)c(F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | ||
CHEMBL249609 | 94151 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 472 | 7 | 1 | 3 | 5.3 | COc1ccc(C2CCN(C[C@H]3CC[C@@H](NC(=O)/C=C/c4cc(F)c(F)c(F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | ||
46945255 | 65406 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 475 | 6 | 3 | 5 | 2.9 | Nc1ccc([C@H]2CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)nc1 | 10.1016/j.bmcl.2011.06.080 | ||
CHEMBL1829627 | 65406 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 475 | 6 | 3 | 5 | 2.9 | Nc1ccc([C@H]2CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)nc1 | 10.1016/j.bmcl.2011.06.080 | ||
44573451 | 187543 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 466 | 6 | 2 | 3 | 4.9 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOC2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
CHEMBL494591 | 187543 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 466 | 6 | 2 | 3 | 4.9 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOC2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
11690139 | 75196 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 412 | 3 | 1 | 3 | 3.4 | CCN1CCC[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036778 | 75196 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 412 | 3 | 1 | 3 | 3.4 | CCN1CCC[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
44415957 | 81025 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 510 | 6 | 1 | 2 | 6.4 | C[C@@H](CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | ||
CHEMBL215391 | 81025 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 510 | 6 | 1 | 2 | 6.4 | C[C@@H](CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | ||
70683619 | 74499 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 473 | 6 | 2 | 3 | 4.4 | O=C(NCC(=O)N1CC[C@@H](N[C@H]2CC[C@@H](c3ccccc3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
CHEMBL2029406 | 74499 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 473 | 6 | 2 | 3 | 4.4 | O=C(NCC(=O)N1CC[C@@H](N[C@H]2CC[C@@H](c3ccccc3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
22310850 | 116781 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 395 | 4 | 1 | 2 | 6.4 | O=C(O)c1cc2cc(-c3ccccc3)ccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
CHEMBL337857 | 116781 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 395 | 4 | 1 | 2 | 6.4 | O=C(O)c1cc2cc(-c3ccccc3)ccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
44413137 | 78863 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 453 | 8 | 2 | 4 | 4.3 | CN(C)CCN[C@@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccs1 | 10.1016/j.bmcl.2006.04.045 | ||
CHEMBL211292 | 78863 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 453 | 8 | 2 | 4 | 4.3 | CN(C)CCN[C@@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccs1 | 10.1016/j.bmcl.2006.04.045 | ||
72947191 | 105233 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 600 | 7 | 1 | 6 | 3.6 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)CCc3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
CHEMBL3115275 | 105233 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 600 | 7 | 1 | 6 | 3.6 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)CCc3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
67774197 | 130626 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 542 | 6 | 4 | 4 | 5.3 | NC(=O)C(NC1CCC(c2c[nH]c3cccnc23)CC1)C1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 | nan | ||
CHEMBL3681898 | 130626 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 542 | 6 | 4 | 4 | 5.3 | NC(=O)C(NC1CCC(c2c[nH]c3cccnc23)CC1)C1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 | nan | ||
72946013 | 105232 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 560 | 4 | 1 | 6 | 2.4 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)C#CC3CC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
CHEMBL3115274 | 105232 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 560 | 4 | 1 | 6 | 2.4 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)C#CC3CC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
10207542 | 73690 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 506 | 9 | 5 | 5 | 3.2 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C2(O)CCCC2)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018383 | 73690 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 506 | 9 | 5 | 5 | 3.2 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C2(O)CCCC2)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | ||
24801524 | 167304 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 525 | 7 | 3 | 5 | 2.7 | CS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1021/jm701488f | ||
CHEMBL429425 | 167304 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 525 | 7 | 3 | 5 | 2.7 | CS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1021/jm701488f | ||
22268768 | 154897 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 507 | 10 | 5 | 5 | 2.4 | CCNC(=O)C(C)(CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1N | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL400968 | 154897 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 507 | 10 | 5 | 5 | 2.4 | CCNC(=O)C(C)(CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1N | 10.1016/j.bmcl.2007.07.028 | ||
44395066 | 124437 | 0 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 398 | 8 | 1 | 3 | 4.5 | O=C(CCCC(=O)c1ccccc1)NC1CCCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2004.08.009 | ||
CHEMBL363994 | 124437 | 0 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 398 | 8 | 1 | 3 | 4.5 | O=C(CCCC(=O)c1ccccc1)NC1CCCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2004.08.009 | ||
71518570 | 86375 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 453 | 3 | 1 | 4 | 4.4 | O=C(N1CCc2ncc(C(F)(F)F)cc2C1)[C@@]12CCC[C@@H]1C[C@@H](NC1CCSCC1)C2 | 10.1016/j.bmcl.2012.10.069 | ||
CHEMBL2314059 | 86375 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 453 | 3 | 1 | 4 | 4.4 | O=C(N1CCc2ncc(C(F)(F)F)cc2C1)[C@@]12CCC[C@@H]1C[C@@H](NC1CCSCC1)C2 | 10.1016/j.bmcl.2012.10.069 | ||
72948004 | 105231 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 578 | 5 | 1 | 6 | 3.6 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)/C=C/C(C)(C)C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
CHEMBL3115273 | 105231 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 578 | 5 | 1 | 6 | 3.6 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)/C=C/C(C)(C)C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
71716742 | 86355 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 510 | 5 | 2 | 6 | 2.0 | COC1COCCC1N[C@@H]1C[C@H]2C[C@H](C(N)=O)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
CHEMBL2313776 | 86355 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 510 | 5 | 2 | 6 | 2.0 | COC1COCCC1N[C@@H]1C[C@H]2C[C@H](C(N)=O)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
44453471 | 97842 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 470 | 7 | 3 | 5 | 2.9 | Nc1ccc(OC(F)(F)F)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL272283 | 97842 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 470 | 7 | 3 | 5 | 2.9 | Nc1ccc(OC(F)(F)F)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
10228205 | 93699 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 490 | 10 | 4 | 4 | 2.6 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC2CC2)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL247205 | 93699 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 490 | 10 | 4 | 4 | 2.6 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC2CC2)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
57344303 | 130622 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 538 | 7 | 3 | 3 | 5.0 | NC(=O)C(N[C@H]1CC[C@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | ||
CHEMBL3681894 | 130622 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 538 | 7 | 3 | 3 | 5.0 | NC(=O)C(N[C@H]1CC[C@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | ||
57402059 | 70313 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 553 | 9 | 2 | 5 | 3.9 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
CHEMBL1944780 | 70313 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 553 | 9 | 2 | 5 | 3.9 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
25268795 | 148483 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 421 | 6 | 1 | 2 | 4.7 | C[N+](C)(Cc1ccc(CNC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
CHEMBL393835 | 148483 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 421 | 6 | 1 | 2 | 4.7 | C[N+](C)(Cc1ccc(CNC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
86767120 | 129377 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 468 | 4 | 1 | 5 | 2.9 | COC1COCCC1NC1CC2OCCC2(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)C1 | nan | ||
CHEMBL3671253 | 129377 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 468 | 4 | 1 | 5 | 2.9 | COC1COCCC1NC1CC2OCCC2(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)C1 | nan | ||
44449081 | 95484 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 535 | 6 | 2 | 3 | 5.4 | O=C(/C=C/c1cccc(Br)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
CHEMBL257385 | 95484 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 535 | 6 | 2 | 3 | 5.4 | O=C(/C=C/c1cccc(Br)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
11634928 | 168867 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 514 | 5 | 3 | 3 | 6.0 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
CHEMBL438353 | 168867 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 514 | 5 | 3 | 3 | 6.0 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
11606702 | 145729 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 580 | 14 | 1 | 5 | 7.8 | CCC(CCCN(CC)CC)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
CHEMBL391662 | 145729 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 580 | 14 | 1 | 5 | 7.8 | CCC(CCCN(CC)CC)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
56671794 | 65767 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 516 | 7 | 2 | 7 | 3.9 | COc1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834790 | 65767 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 516 | 7 | 2 | 7 | 3.9 | COc1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2011.08.074 | ||
44595711 | 137296 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 332 | 2 | 1 | 1 | 5.1 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2ccc(Cl)c(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
CHEMBL3752627 | 137296 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 332 | 2 | 1 | 1 | 5.1 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2ccc(Cl)c(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
44416157 | 80566 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 564 | 8 | 1 | 2 | 7.5 | C[C@H]1CN(CC[C@H](CC2CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | ||
CHEMBL215020 | 80566 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 564 | 8 | 1 | 2 | 7.5 | C[C@H]1CN(CC[C@H](CC2CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | ||
44425630 | 85998 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 550 | 4 | 1 | 2 | 7.2 | C[C@H]1CN([C@@H]2CC[C@](C)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
CHEMBL230617 | 85998 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 550 | 4 | 1 | 2 | 7.2 | C[C@H]1CN([C@@H]2CC[C@](C)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
11330529 | 74511 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 567 | 7 | 3 | 6 | 3.9 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4cccnc4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
CHEMBL2029418 | 74511 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 567 | 7 | 3 | 6 | 3.9 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4cccnc4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
24801689 | 97766 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 651 | 9 | 5 | 6 | 3.5 | NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)C2CCCCC2)cc1 | 10.1021/jm701488f | ||
CHEMBL271828 | 97766 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 651 | 9 | 5 | 6 | 3.5 | NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)C2CCCCC2)cc1 | 10.1021/jm701488f | ||
44425242 | 86014 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 588 | 8 | 2 | 5 | 6.6 | Nc1nc(C(CCN2CCC(c3ccc(F)cc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
CHEMBL230727 | 86014 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 588 | 8 | 2 | 5 | 6.6 | Nc1nc(C(CCN2CCC(c3ccc(F)cc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
54583186 | 62542 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 496 | 6 | 1 | 5 | 4.3 | CCC1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1782578 | 62542 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 496 | 6 | 1 | 5 | 4.3 | CCC1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
10232019 | 73701 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 584 | 14 | 5 | 5 | 5.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NCc1ccccc1 | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018394 | 73701 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 584 | 14 | 5 | 5 | 5.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NCc1ccccc1 | 10.1016/j.bmcl.2012.03.007 | ||
53322811 | 58444 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 484 | 6 | 1 | 6 | 3.1 | CC[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](N[C@H]2CCOC[C@H]2OC)C1 | 10.1016/j.bmcl.2011.01.015 | ||
CHEMBL1683077 | 58444 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 484 | 6 | 1 | 6 | 3.1 | CC[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](N[C@H]2CCOC[C@H]2OC)C1 | 10.1016/j.bmcl.2011.01.015 | ||
54586021 | 62513 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 494 | 4 | 0 | 5 | 4.1 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](N2CCC3COCCC32)C1 | 10.1016/j.bmcl.2011.01.034 | ||
CHEMBL1782375 | 62513 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 494 | 4 | 0 | 5 | 4.1 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](N2CCC3COCCC32)C1 | 10.1016/j.bmcl.2011.01.034 | ||
10008367 | 2009 | 50 | None | - | 0 | Mouse | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@@H]1CC[C@](CC1)(O)c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2010.10.020 | ||
777 | 2009 | 50 | None | - | 0 | Mouse | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@@H]1CC[C@](CC1)(O)c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2010.10.020 | ||
CHEMBL1289316 | 2009 | 50 | None | - | 0 | Mouse | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@@H]1CC[C@](CC1)(O)c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2010.10.020 | ||
CHEMBL2426341 | 2009 | 50 | None | - | 0 | Mouse | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@@H]1CC[C@](CC1)(O)c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2010.10.020 | ||
10281715 | 73694 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 579 | 13 | 6 | 5 | 4.0 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C | 10.1021/ml500505q | ||
CHEMBL2018387 | 73694 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 579 | 13 | 6 | 5 | 4.0 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C | 10.1021/ml500505q | ||
22143146 | 183882 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 490 | 8 | 3 | 4 | 3.5 | Cc1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
CHEMBL481202 | 183882 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 490 | 8 | 3 | 4 | 3.5 | Cc1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
76314242 | 105226 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 544 | 5 | 1 | 6 | 3.7 | COC1COCCC1N[C@@H]1C[C@H]2CN(c3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
CHEMBL3115268 | 105226 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 544 | 5 | 1 | 6 | 3.7 | COC1COCCC1N[C@@H]1C[C@H]2CN(c3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
11633080 | 93603 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 417 | 5 | 1 | 1 | 6.0 | C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CC2CCC1C2 | 10.1016/j.bmcl.2007.01.115 | ||
CHEMBL246728 | 93603 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 417 | 5 | 1 | 1 | 6.0 | C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CC2CCC1C2 | 10.1016/j.bmcl.2007.01.115 | ||
44442591 | 93784 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 631 | 11 | 5 | 5 | 4.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)C2CCCCC2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL247635 | 93784 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 631 | 11 | 5 | 5 | 4.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)C2CCCCC2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
22310914 | 24296 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 337 | 3 | 1 | 2 | 4.8 | O=C(O)c1cc2ccc(F)cc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
CHEMBL134072 | 24296 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 337 | 3 | 1 | 2 | 4.8 | O=C(O)c1cc2ccc(F)cc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
10459336 | 73785 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 520 | 10 | 4 | 5 | 3.6 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)N1CC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2N)C1=O | 10.1016/j.bmcl.2012.03.007 | ||
CHEMBL2018540 | 73785 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 520 | 10 | 4 | 5 | 3.6 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)N1CC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2N)C1=O | 10.1016/j.bmcl.2012.03.007 | ||
44442574 | 155104 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 517 | 9 | 4 | 5 | 2.8 | Cc1cc(C#N)ccc1CNC[C@H](NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1)C(=O)NC(C)(C)C | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL402055 | 155104 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 517 | 9 | 4 | 5 | 2.8 | Cc1cc(C#N)ccc1CNC[C@H](NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1)C(=O)NC(C)(C)C | 10.1016/j.bmcl.2007.07.028 | ||
11634118 | 58422 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 466 | 5 | 1 | 3 | 5.4 | CC(C)[C@]1(C(=O)N2CCC(c3cccc(C(F)(F)F)c3)CC2)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.015 | ||
CHEMBL1683053 | 58422 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 466 | 5 | 1 | 3 | 5.4 | CC(C)[C@]1(C(=O)N2CCC(c3cccc(C(F)(F)F)c3)CC2)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.015 | ||
89823507 | 126296 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 525 | 5 | 1 | 5 | 4.0 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(F)cc(C(F)(F)F)c2)C1 | nan | ||
CHEMBL3650370 | 126296 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 525 | 5 | 1 | 5 | 4.0 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(F)cc(C(F)(F)F)c2)C1 | nan | ||
56678506 | 65759 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 545 | 8 | 2 | 9 | 2.2 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(S(C)(=O)=O)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
CHEMBL1834782 | 65759 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 545 | 8 | 2 | 9 | 2.2 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(S(C)(=O)=O)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
57401421 | 67836 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 486 | 6 | 1 | 3 | 5.1 | O=C(NCCCN1CCC(c2ccc(F)cc2)CC1)C1=Cc2cc(Br)ccc2OCC1 | 10.1016/j.bmcl.2011.09.013 | ||
CHEMBL1910161 | 67836 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 486 | 6 | 1 | 3 | 5.1 | O=C(NCCCN1CCC(c2ccc(F)cc2)CC1)C1=Cc2cc(Br)ccc2OCC1 | 10.1016/j.bmcl.2011.09.013 | ||
127025445 | 137437 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 244 | 2 | 1 | 1 | 3.7 | Cc1cccc([C@]2(C)C[C@@H](C)CC=C2C(=O)O)c1 | 10.1016/j.bmcl.2015.11.051 | ||
CHEMBL3753719 | 137437 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 244 | 2 | 1 | 1 | 3.7 | Cc1cccc([C@]2(C)C[C@@H](C)CC=C2C(=O)O)c1 | 10.1016/j.bmcl.2015.11.051 | ||
72663455 | 129375 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 469 | 4 | 1 | 6 | 2.3 | COC1COCCC1NC1CC2OCCC2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | nan | ||
CHEMBL3671251 | 129375 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 469 | 4 | 1 | 6 | 2.3 | COC1COCCC1NC1CC2OCCC2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | nan | ||
44416274 | 158530 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 510 | 6 | 1 | 2 | 6.4 | C[C@H]1CN(CCCC(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | ||
CHEMBL409162 | 158530 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 510 | 6 | 1 | 2 | 6.4 | C[C@H]1CN(CCCC(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | ||
44425639 | 86036 | 0 | None | - | 0 | Mouse | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 580 | 6 | 1 | 3 | 6.8 | COCC1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
CHEMBL230831 | 86036 | 0 | None | - | 0 | Mouse | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 580 | 6 | 1 | 3 | 6.8 | COCC1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
11843813 | 141876 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 566 | 8 | 1 | 2 | 7.5 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CCN1CCC(c2ccccc2)CC1)c1ccc(F)cc1 | 10.1021/jm060439n | ||
CHEMBL386865 | 141876 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 566 | 8 | 1 | 2 | 7.5 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CCN1CCC(c2ccccc2)CC1)c1ccc(F)cc1 | 10.1021/jm060439n | ||
44395079 | 66967 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 530 | 8 | 2 | 6 | 3.9 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3cccc(O)c3)c3cc(F)cc(F)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
CHEMBL186899 | 66967 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 530 | 8 | 2 | 6 | 3.9 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3cccc(O)c3)c3cc(F)cc(F)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
44439157 | 91651 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 597 | 10 | 2 | 5 | 7.8 | O=C(CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1)NCCCc1ccc2c(n1)NCCC2 | 10.1016/j.bmcl.2006.10.060 | ||
CHEMBL240853 | 91651 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 597 | 10 | 2 | 5 | 7.8 | O=C(CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1)NCCCc1ccc2c(n1)NCCC2 | 10.1016/j.bmcl.2006.10.060 | ||
49863168 | 15174 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 583 | 9 | 2 | 5 | 7.4 | O=C(CCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1)NCCCc1ccc2c(n1)NCCC2 | 10.1016/j.ejmech.2010.04.024 | ||
CHEMBL1210604 | 15174 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 583 | 9 | 2 | 5 | 7.4 | O=C(CCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1)NCCCc1ccc2c(n1)NCCC2 | 10.1016/j.ejmech.2010.04.024 | ||
71519227 | 86348 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 503 | 4 | 1 | 5 | 3.6 | COC1COCCC1N[C@@H]1C[C@H]2CC(F)(F)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
CHEMBL2313769 | 86348 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 503 | 4 | 1 | 5 | 3.6 | COC1COCCC1N[C@@H]1C[C@H]2CC(F)(F)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
11318368 | 74503 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 520 | 7 | 3 | 6 | 2.9 | COc1ccc([C@]2(O)CC[C@H](N[C@H]3CCN(C(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml200199c | ||
CHEMBL2029410 | 74503 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 520 | 7 | 3 | 6 | 2.9 | COc1ccc([C@]2(O)CC[C@H](N[C@H]3CCN(C(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml200199c | ||
89823428 | 126301 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 514 | 5 | 1 | 7 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2nc(C(F)(F)F)cs2)C1 | nan | ||
CHEMBL3650375 | 126301 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 514 | 5 | 1 | 7 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2nc(C(F)(F)F)cs2)C1 | nan | ||
72945827 | 105201 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 588 | 5 | 1 | 7 | 3.7 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)Oc3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
CHEMBL3115102 | 105201 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 588 | 5 | 1 | 7 | 3.7 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)Oc3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
57391487 | 130633 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 540 | 7 | 3 | 4 | 4.6 | NC(=O)C(N[C@H]1CC[C@H](C2CNc3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | ||
CHEMBL3681904 | 130633 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 540 | 7 | 3 | 4 | 4.6 | NC(=O)C(N[C@H]1CC[C@H](C2CNc3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | ||
44444100 | 94005 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 499 | 6 | 0 | 3 | 6.2 | CN(C)c1ccc(C2CCN(CC3CCN(C(=O)/C=C/c4ccc(Cl)c(Cl)c4)CC3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | ||
CHEMBL248812 | 94005 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 499 | 6 | 0 | 3 | 6.2 | CN(C)c1ccc(C2CCN(CC3CCN(C(=O)/C=C/c4ccc(Cl)c(Cl)c4)CC3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | ||
44425316 | 142334 | 0 | None | - | 0 | Mouse | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 712 | 9 | 2 | 5 | 8.5 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)c3ccccc3)n2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | ||
CHEMBL388869 | 142334 | 0 | None | - | 0 | Mouse | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 712 | 9 | 2 | 5 | 8.5 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)c3ccccc3)n2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | ||
25268442 | 93921 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 369 | 6 | 1 | 3 | 3.7 | COc1cccc(C(=O)Nc2ccc(C[N+](C)(C)C3CCOCC3)cc2)c1 | 10.1016/j.bmcl.2007.01.115 | ||
CHEMBL248358 | 93921 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 369 | 6 | 1 | 3 | 3.7 | COc1cccc(C(=O)Nc2ccc(C[N+](C)(C)C3CCOCC3)cc2)c1 | 10.1016/j.bmcl.2007.01.115 | ||
508870 | 97448 | 1 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 488 | 6 | 3 | 4 | 3.7 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2Cl)C1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL270205 | 97448 | 1 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 488 | 6 | 3 | 4 | 3.7 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2Cl)C1 | 10.1016/j.bmcl.2008.02.015 | ||
22310992 | 23076 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 363 | 4 | 2 | 3 | 4.4 | O=C(O)c1c(C(=O)O)n(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 | 10.1016/j.bmcl.2003.10.049 | ||
CHEMBL133075 | 23076 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 363 | 4 | 2 | 3 | 4.4 | O=C(O)c1c(C(=O)O)n(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 | 10.1016/j.bmcl.2003.10.049 | ||
57344301 | 130620 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 540 | 7 | 3 | 4 | 4.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc3c(c2)CCCO3)CC1 | nan | ||
CHEMBL3681892 | 130620 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 540 | 7 | 3 | 4 | 4.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc3c(c2)CCCO3)CC1 | nan | ||
508742 | 95547 | 1 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 423 | 6 | 2 | 3 | 3.0 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(F)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL257702 | 95547 | 1 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 423 | 6 | 2 | 3 | 3.0 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(F)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
44453538 | 97902 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 419 | 6 | 2 | 3 | 3.1 | Cc1ccccc1CN1CC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
CHEMBL272543 | 97902 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 419 | 6 | 2 | 3 | 3.1 | Cc1ccccc1CN1CC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
72946008 | 105210 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 625 | 7 | 1 | 9 | 1.9 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCCN3CCOCC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
CHEMBL3115111 | 105210 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 625 | 7 | 1 | 9 | 1.9 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCCN3CCOCC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
10278862 | 93700 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 504 | 10 | 4 | 4 | 3.0 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC2CCC2)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL247206 | 93700 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 504 | 10 | 4 | 4 | 3.0 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC2CCC2)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
22143200 | 187741 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 480 | 8 | 4 | 5 | 2.8 | CSc1ccc(CNC2CCNCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
CHEMBL495718 | 187741 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 480 | 8 | 4 | 5 | 2.8 | CSc1ccc(CNC2CCNCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
9956260 | 157659 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 467 | 7 | 3 | 3 | 4.3 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@@H]1NCc1ccc(Cl)cc1 | 10.1021/jm701488f | ||
CHEMBL408172 | 157659 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 467 | 7 | 3 | 3 | 4.3 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@@H]1NCc1ccc(Cl)cc1 | 10.1021/jm701488f | ||
127025444 | 137243 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 230 | 2 | 1 | 1 | 3.4 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2ccccc2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
CHEMBL3752110 | 137243 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 230 | 2 | 1 | 1 | 3.4 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2ccccc2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
57656938 | 75186 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 410 | 4 | 1 | 3 | 3.7 | O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036766 | 75186 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 410 | 4 | 1 | 3 | 3.7 | O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
44415922 | 141658 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 536 | 7 | 1 | 2 | 6.8 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC2(C=Cc3ccccc32)CC1)C1CC1 | 10.1016/j.bmcl.2006.07.011 | ||
CHEMBL385540 | 141658 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 536 | 7 | 1 | 2 | 6.8 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC2(C=Cc3ccccc32)CC1)C1CC1 | 10.1016/j.bmcl.2006.07.011 | ||
57344318 | 68904 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 566 | 7 | 2 | 3 | 5.6 | CN(C)C(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | ||
CHEMBL1922791 | 68904 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 566 | 7 | 2 | 3 | 5.6 | CN(C)C(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | ||
57344317 | 68903 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 552 | 7 | 3 | 3 | 5.3 | CNC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | ||
CHEMBL1922790 | 68903 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 552 | 7 | 3 | 3 | 5.3 | CNC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | ||
72946010 | 105203 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 582 | 5 | 1 | 7 | 3.6 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCC(C)(C)C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
CHEMBL3115104 | 105203 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 582 | 5 | 1 | 7 | 3.6 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCC(C)(C)C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
11510932 | 75173 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 460 | 5 | 1 | 3 | 5.1 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCCN(Cc3ccccc3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036753 | 75173 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 460 | 5 | 1 | 3 | 5.1 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCCN(Cc3ccccc3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
46886061 | 7951 | 1 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 593 | 8 | 1 | 6 | 3.9 | CC(C)N(C)[C@@H]1CC[C@H](N2C(=O)C[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2010.03.035 | ||
CHEMBL1090562 | 7951 | 1 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 593 | 8 | 1 | 6 | 3.9 | CC(C)N(C)[C@@H]1CC[C@H](N2C(=O)C[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2010.03.035 | ||
44442558 | 93701 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 518 | 10 | 4 | 4 | 3.4 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC2CCCC2)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
CHEMBL247207 | 93701 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 518 | 10 | 4 | 4 | 3.4 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC2CCCC2)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
22310965 | 19560 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 337 | 3 | 1 | 2 | 4.8 | O=C(O)c1cc2c(F)cccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
CHEMBL130008 | 19560 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 337 | 3 | 1 | 2 | 4.8 | O=C(O)c1cc2c(F)cccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
46885027 | 8389 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 531 | 8 | 2 | 5 | 2.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
CHEMBL1093469 | 8389 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 531 | 8 | 2 | 5 | 2.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
10343454 | 3952 | 29 | None | 34 | 2 | Human | 10.0 | pKd | = | 10 | Binding | ChEMBL | 444 | 5 | 1 | 4 | 4.3 | Clc1ccc(c(c1)C(=O)c1cc[n+](cc1)[O-])NS(=O)(=O)c1ccc(cc1)C(C)(C)C | 10.1021/acs.jmedchem.6b01309 | ||
9046 | 3952 | 29 | None | 34 | 2 | Human | 10.0 | pKd | = | 10 | Binding | ChEMBL | 444 | 5 | 1 | 4 | 4.3 | Clc1ccc(c(c1)C(=O)c1cc[n+](cc1)[O-])NS(=O)(=O)c1ccc(cc1)C(C)(C)C | 10.1021/acs.jmedchem.6b01309 | ||
CHEMBL2178578 | 3952 | 29 | None | 34 | 2 | Human | 10.0 | pKd | = | 10 | Binding | ChEMBL | 444 | 5 | 1 | 4 | 4.3 | Clc1ccc(c(c1)C(=O)c1cc[n+](cc1)[O-])NS(=O)(=O)c1ccc(cc1)C(C)(C)C | 10.1021/acs.jmedchem.6b01309 | ||
DB15250 | 3952 | 29 | None | 34 | 2 | Human | 10.0 | pKd | = | 10 | Binding | ChEMBL | 444 | 5 | 1 | 4 | 4.3 | Clc1ccc(c(c1)C(=O)c1cc[n+](cc1)[O-])NS(=O)(=O)c1ccc(cc1)C(C)(C)C | 10.1021/acs.jmedchem.6b01309 | ||
11180808 | 2532 | 52 | None | - | 1 | Human | 9.3 | pKd | = | 9.3 | Binding | ChEMBL | 469 | 5 | 1 | 5 | 3.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCc2c(C1)cc(cn2)C(F)(F)F | 10.1016/j.ejmech.2015.01.063 | ||
9048 | 2532 | 52 | None | - | 1 | Human | 9.3 | pKd | = | 9.3 | Binding | ChEMBL | 469 | 5 | 1 | 5 | 3.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCc2c(C1)cc(cn2)C(F)(F)F | 10.1016/j.ejmech.2015.01.063 | ||
CHEMBL3305901 | 2532 | 52 | None | - | 1 | Human | 9.3 | pKd | = | 9.3 | Binding | ChEMBL | 469 | 5 | 1 | 5 | 3.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCc2c(C1)cc(cn2)C(F)(F)F | 10.1016/j.ejmech.2015.01.063 | ||
155491018 | 174059 | 1 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 395 | 3 | 2 | 5 | 3.1 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4544504 | 174059 | 1 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 395 | 3 | 2 | 5 | 3.1 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 | 10.1021/acs.jmedchem.9b00742 | ||
53389902 | 172475 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 349 | 3 | 2 | 5 | 2.8 | Nc1nc2[nH]c(C3CC3)c(Cc3ccc(Cl)c(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4483373 | 172475 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 349 | 3 | 2 | 5 | 2.8 | Nc1nc2[nH]c(C3CC3)c(Cc3ccc(Cl)c(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
155491018 | 174059 | 1 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 395 | 3 | 2 | 5 | 3.1 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4544504 | 174059 | 1 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 395 | 3 | 2 | 5 | 3.1 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 | 10.1021/acs.jmedchem.9b00742 | ||
53389902 | 172475 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 349 | 3 | 2 | 5 | 2.8 | Nc1nc2[nH]c(C3CC3)c(Cc3ccc(Cl)c(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4483373 | 172475 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 349 | 3 | 2 | 5 | 2.8 | Nc1nc2[nH]c(C3CC3)c(Cc3ccc(Cl)c(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
11180808 | 2532 | 52 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 469 | 5 | 1 | 5 | 3.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCc2c(C1)cc(cn2)C(F)(F)F | 10.1016/j.ejmech.2015.01.063 | ||
9048 | 2532 | 52 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 469 | 5 | 1 | 5 | 3.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCc2c(C1)cc(cn2)C(F)(F)F | 10.1016/j.ejmech.2015.01.063 | ||
CHEMBL3305901 | 2532 | 52 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 469 | 5 | 1 | 5 | 3.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCc2c(C1)cc(cn2)C(F)(F)F | 10.1016/j.ejmech.2015.01.063 | ||
71717723 | 87800 | 0 | None | 51 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 525 | 7 | 2 | 7 | 4.3 | CO[C@@H]1COCC[C@@H]1NC1CCN(C(=O)c2nc(CF)nc(Nc3ccc(Cl)c(Cl)c3)c2C)CC1 | 10.1021/ml400055e | ||
CHEMBL2338392 | 87800 | 0 | None | 51 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 525 | 7 | 2 | 7 | 4.3 | CO[C@@H]1COCC[C@@H]1NC1CCN(C(=O)c2nc(CF)nc(Nc3ccc(Cl)c(Cl)c3)c2C)CC1 | 10.1021/ml400055e | ||
155554273 | 174189 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4548396 | 174189 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
155554273 | 174189 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4548396 | 174189 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
162666730 | 182250 | 1 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
CHEMBL4783861 | 182250 | 1 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
162666730 | 182250 | 1 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
CHEMBL4783861 | 182250 | 1 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
155554106 | 175445 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 359 | 3 | 2 | 5 | 2.2 | Nc1nc2[nH]c(C3CC3)c(Cc3cccc(Br)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4577171 | 175445 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 359 | 3 | 2 | 5 | 2.2 | Nc1nc2[nH]c(C3CC3)c(Cc3cccc(Br)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
155562719 | 175205 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 407 | 3 | 2 | 5 | 2.1 | Nc1nc2[nH]c(C3CC3)c(Cc3cccc(I)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4571719 | 175205 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 407 | 3 | 2 | 5 | 2.1 | Nc1nc2[nH]c(C3CC3)c(Cc3cccc(I)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
155562719 | 175205 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 407 | 3 | 2 | 5 | 2.1 | Nc1nc2[nH]c(C3CC3)c(Cc3cccc(I)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4571719 | 175205 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 407 | 3 | 2 | 5 | 2.1 | Nc1nc2[nH]c(C3CC3)c(Cc3cccc(I)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
155554106 | 175445 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 359 | 3 | 2 | 5 | 2.2 | Nc1nc2[nH]c(C3CC3)c(Cc3cccc(Br)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4577171 | 175445 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 359 | 3 | 2 | 5 | 2.2 | Nc1nc2[nH]c(C3CC3)c(Cc3cccc(Br)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
71718331 | 87799 | 0 | None | 208 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 663 | 8 | 2 | 8 | 5.7 | Cc1c(NC[C@H]2CCC[C@@H](c3ccc(C(F)(F)F)cc3)O2)nc(C2CCOCC2)nc1C(=O)N1CCC(N[C@H]2CCOC[C@H]2F)CC1 | 10.1021/ml400055e | ||
CHEMBL2338391 | 87799 | 0 | None | 208 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 663 | 8 | 2 | 8 | 5.7 | Cc1c(NC[C@H]2CCC[C@@H](c3ccc(C(F)(F)F)cc3)O2)nc(C2CCOCC2)nc1C(=O)N1CCC(N[C@H]2CCOC[C@H]2F)CC1 | 10.1021/ml400055e | ||
71719547 | 87801 | 0 | None | 50 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 660 | 8 | 2 | 9 | 5.8 | Cc1cc(-c2nc(NC[C@H]3CCC[C@@H](c4ccc(C(F)(F)F)cc4)O3)c(C)c(C(=O)N3CCC(N[C@@H]4CCOC[C@@H]4F)CC3)n2)no1 | 10.1021/ml400055e | ||
CHEMBL2338393 | 87801 | 0 | None | 50 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 660 | 8 | 2 | 9 | 5.8 | Cc1cc(-c2nc(NC[C@H]3CCC[C@@H](c4ccc(C(F)(F)F)cc4)O3)c(C)c(C(=O)N3CCC(N[C@@H]4CCOC[C@@H]4F)CC3)n2)no1 | 10.1021/ml400055e | ||
118734584 | 118670 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 530 | 6 | 1 | 4 | 6.1 | COc1cc2c(cc1OC)C(N[C@@H]1CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C1)CC2 | 10.1016/j.ejmech.2015.01.063 | ||
CHEMBL3417124 | 118670 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 530 | 6 | 1 | 4 | 6.1 | COc1cc2c(cc1OC)C(N[C@@H]1CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C1)CC2 | 10.1016/j.ejmech.2015.01.063 | ||
53389845 | 172937 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 315 | 3 | 2 | 5 | 2.1 | Nc1nc2[nH]c(C3CC3)c(Cc3cccc(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4517518 | 172937 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 315 | 3 | 2 | 5 | 2.1 | Nc1nc2[nH]c(C3CC3)c(Cc3cccc(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
53389845 | 172937 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 315 | 3 | 2 | 5 | 2.1 | Nc1nc2[nH]c(C3CC3)c(Cc3cccc(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4517518 | 172937 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 315 | 3 | 2 | 5 | 2.1 | Nc1nc2[nH]c(C3CC3)c(Cc3cccc(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
155563012 | 175257 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 359 | 3 | 2 | 5 | 2.2 | Nc1nc2[nH]c(C3CC3)c(Cc3ccc(Br)cc3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4572833 | 175257 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 359 | 3 | 2 | 5 | 2.2 | Nc1nc2[nH]c(C3CC3)c(Cc3ccc(Br)cc3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
155563012 | 175257 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 359 | 3 | 2 | 5 | 2.2 | Nc1nc2[nH]c(C3CC3)c(Cc3ccc(Br)cc3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4572833 | 175257 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 359 | 3 | 2 | 5 | 2.2 | Nc1nc2[nH]c(C3CC3)c(Cc3ccc(Br)cc3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
10585 | 1074 | 1 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
145996522 | 1074 | 1 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4531005 | 1074 | 1 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
155513284 | 169702 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 343 | 3 | 2 | 5 | 2.9 | Nc1nc2[nH]c(C3CCCC3)c(Cc3cccc(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4438407 | 169702 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 343 | 3 | 2 | 5 | 2.9 | Nc1nc2[nH]c(C3CCCC3)c(Cc3cccc(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
118734578 | 118663 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 504 | 4 | 1 | 2 | 6.7 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3cc(Cl)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
CHEMBL3417117 | 118663 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 504 | 4 | 1 | 2 | 6.7 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3cc(Cl)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
10585 | 1074 | 1 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
145996522 | 1074 | 1 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4531005 | 1074 | 1 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
155513284 | 169702 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 343 | 3 | 2 | 5 | 2.9 | Nc1nc2[nH]c(C3CCCC3)c(Cc3cccc(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4438407 | 169702 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 343 | 3 | 2 | 5 | 2.9 | Nc1nc2[nH]c(C3CCCC3)c(Cc3cccc(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
53389660 | 171459 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 300 | 3 | 1 | 4 | 2.5 | O=c1c(Cc2cccc(Cl)c2)c(C2CC2)[nH]c2ncnn12 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4463626 | 171459 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 300 | 3 | 1 | 4 | 2.5 | O=c1c(Cc2cccc(Cl)c2)c(C2CC2)[nH]c2ncnn12 | 10.1021/acs.jmedchem.9b00742 | ||
53389660 | 171459 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 300 | 3 | 1 | 4 | 2.5 | O=c1c(Cc2cccc(Cl)c2)c(C2CC2)[nH]c2ncnn12 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4463626 | 171459 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 300 | 3 | 1 | 4 | 2.5 | O=c1c(Cc2cccc(Cl)c2)c(C2CC2)[nH]c2ncnn12 | 10.1021/acs.jmedchem.9b00742 | ||
155553917 | 174179 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 315 | 3 | 2 | 5 | 2.1 | Nc1nc2[nH]c(C3CC3)c(Cc3ccc(Cl)cc3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4548107 | 174179 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 315 | 3 | 2 | 5 | 2.1 | Nc1nc2[nH]c(C3CC3)c(Cc3ccc(Cl)cc3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
155553917 | 174179 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 315 | 3 | 2 | 5 | 2.1 | Nc1nc2[nH]c(C3CC3)c(Cc3ccc(Cl)cc3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4548107 | 174179 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 315 | 3 | 2 | 5 | 2.1 | Nc1nc2[nH]c(C3CC3)c(Cc3ccc(Cl)cc3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
53389637 | 170543 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 317 | 3 | 2 | 5 | 2.4 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4450273 | 170543 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 317 | 3 | 2 | 5 | 2.4 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
53389637 | 170543 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 317 | 3 | 2 | 5 | 2.4 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4450273 | 170543 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 317 | 3 | 2 | 5 | 2.4 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
162666730 | 182250 | 1 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
CHEMBL4783861 | 182250 | 1 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
15985912 | 83946 | 0 | None | 2 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 416 | 5 | 1 | 5 | 4.1 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
CHEMBL2207081 | 83946 | 0 | None | 2 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 416 | 5 | 1 | 5 | 4.1 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
71461438 | 83947 | 0 | None | 100 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 416 | 5 | 1 | 5 | 4.1 | O=S(=O)(Nc1cc(Cl)ccc1Cn1cnnc1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
CHEMBL2207082 | 83947 | 0 | None | 100 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 416 | 5 | 1 | 5 | 4.1 | O=S(=O)(Nc1cc(Cl)ccc1Cn1cnnc1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
71214709 | 83949 | 0 | None | 14 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 431 | 5 | 1 | 6 | 3.8 | Cc1nnnn1Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
CHEMBL2207084 | 83949 | 0 | None | 14 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 431 | 5 | 1 | 6 | 3.8 | Cc1nnnn1Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
71450658 | 83963 | 0 | None | 15 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 450 | 5 | 1 | 5 | 4.7 | O=S(=O)(Nc1cc(Cl)c(Cl)cc1Cn1ccnn1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
CHEMBL2207098 | 83963 | 0 | None | 15 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 450 | 5 | 1 | 5 | 4.7 | O=S(=O)(Nc1cc(Cl)c(Cl)cc1Cn1ccnn1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
15985912 | 83946 | 0 | None | 2 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 416 | 5 | 1 | 5 | 4.1 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
CHEMBL2207081 | 83946 | 0 | None | 2 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 416 | 5 | 1 | 5 | 4.1 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
118734680 | 118678 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 547 | 5 | 1 | 3 | 7.1 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3cc(-c4cccnc4)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
CHEMBL3417225 | 118678 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 547 | 5 | 1 | 3 | 7.1 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3cc(-c4cccnc4)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
118734682 | 118680 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 591 | 7 | 1 | 4 | 7.5 | CCOc1cncc(-c2ccc3c(c2)CCC3N[C@@H]2CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C2)c1 | 10.1016/j.ejmech.2015.01.063 | ||
CHEMBL3417227 | 118680 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 591 | 7 | 1 | 4 | 7.5 | CCOc1cncc(-c2ccc3c(c2)CCC3N[C@@H]2CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C2)c1 | 10.1016/j.ejmech.2015.01.063 | ||
12093167 | 172301 | 33 | None | 1 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 351 | 3 | 1 | 3 | 4.2 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
CHEMBL4475389 | 172301 | 33 | None | 1 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 351 | 3 | 1 | 3 | 4.2 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
89823581 | 126335 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 492 | 4 | 1 | 5 | 3.9 | C[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | ||
CHEMBL3650407 | 126335 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 492 | 4 | 1 | 5 | 3.9 | C[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | ||
10436045 | 3490 | 4 | None | -85 | 13 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
782 | 3490 | 4 | None | -85 | 13 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
CHEMBL432713 | 3490 | 4 | None | -85 | 13 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
10436045 | 3490 | 4 | None | -85 | 13 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/acs.jmedchem.6b01309 | ||
782 | 3490 | 4 | None | -85 | 13 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/acs.jmedchem.6b01309 | ||
CHEMBL432713 | 3490 | 4 | None | -85 | 13 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/acs.jmedchem.6b01309 | ||
71461439 | 83952 | 0 | None | 10 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 382 | 5 | 1 | 5 | 3.4 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2012.09.020 | ||
CHEMBL2207087 | 83952 | 0 | None | 10 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 382 | 5 | 1 | 5 | 3.4 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2012.09.020 | ||
71452487 | 83953 | 0 | None | 12 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 382 | 5 | 1 | 5 | 3.4 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1cccc(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
CHEMBL2207088 | 83953 | 0 | None | 12 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 382 | 5 | 1 | 5 | 3.4 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1cccc(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
71454247 | 83955 | 0 | None | 15 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 366 | 5 | 1 | 5 | 2.9 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1cccc(F)c1 | 10.1016/j.bmcl.2012.09.020 | ||
CHEMBL2207090 | 83955 | 0 | None | 15 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 366 | 5 | 1 | 5 | 2.9 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1cccc(F)c1 | 10.1016/j.bmcl.2012.09.020 | ||
155539148 | 172780 | 0 | None | -3 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 327 | 4 | 1 | 3 | 4.1 | CCC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
CHEMBL4513770 | 172780 | 0 | None | -3 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 327 | 4 | 1 | 3 | 4.1 | CCC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
155539148 | 172780 | 0 | None | -3 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 327 | 4 | 1 | 3 | 4.1 | CCC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
CHEMBL4513770 | 172780 | 0 | None | -3 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 327 | 4 | 1 | 3 | 4.1 | CCC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
89823497 | 126276 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 509 | 5 | 1 | 7 | 2.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)cnn2)C1 | nan | ||
CHEMBL3650350 | 126276 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 509 | 5 | 1 | 7 | 2.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)cnn2)C1 | nan | ||
155536512 | 172181 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 311 | 4 | 2 | 6 | 1.5 | COc1ccccc1Cc1c(C2CC2)[nH]c2nc(N)nn2c1=O | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4473756 | 172181 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 311 | 4 | 2 | 6 | 1.5 | COc1ccccc1Cc1c(C2CC2)[nH]c2nc(N)nn2c1=O | 10.1021/acs.jmedchem.9b00742 | ||
3013430 | 21099 | 1 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 480 | 6 | 1 | 3 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCC3)cc1 | 10.1021/jm030862l | ||
CHEMBL131243 | 21099 | 1 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 480 | 6 | 1 | 3 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCC3)cc1 | 10.1021/jm030862l | ||
183790 | 3715 | 11 | None | -6 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
783 | 3715 | 11 | None | -6 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
CHEMBL1178786 | 3715 | 11 | None | -6 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
155536512 | 172181 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 311 | 4 | 2 | 6 | 1.5 | COc1ccccc1Cc1c(C2CC2)[nH]c2nc(N)nn2c1=O | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4473756 | 172181 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 311 | 4 | 2 | 6 | 1.5 | COc1ccccc1Cc1c(C2CC2)[nH]c2nc(N)nn2c1=O | 10.1021/acs.jmedchem.9b00742 | ||
89823576 | 126303 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 542 | 5 | 1 | 6 | 3.9 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ncc(C(F)(F)F)cc2Cl)C1 | nan | ||
CHEMBL3650377 | 126303 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 542 | 5 | 1 | 6 | 3.9 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ncc(C(F)(F)F)cc2Cl)C1 | nan | ||
89823413 | 126307 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 532 | 5 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C#N)ccc2C(F)(F)F)C1 | nan | ||
CHEMBL3650381 | 126307 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 532 | 5 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C#N)ccc2C(F)(F)F)C1 | nan | ||
118734676 | 118675 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 571 | 5 | 1 | 3 | 7.6 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3cc(-c4ccc(C#N)cc4)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
CHEMBL3417221 | 118675 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 571 | 5 | 1 | 3 | 7.6 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3cc(-c4ccc(C#N)cc4)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
12093167 | 172301 | 33 | None | 1 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 351 | 3 | 1 | 3 | 4.2 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
CHEMBL4475389 | 172301 | 33 | None | 1 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 351 | 3 | 1 | 3 | 4.2 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
89823461 | 126291 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 491 | 5 | 1 | 5 | 3.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(F)c(Cl)c2)C1 | nan | ||
CHEMBL3650365 | 126291 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 491 | 5 | 1 | 5 | 3.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(F)c(Cl)c2)C1 | nan | ||
118734684 | 118682 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 595 | 6 | 1 | 4 | 7.3 | COc1cc(-c2ccc3c(c2)CCC3N[C@@H]2CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C2)c(F)cn1 | 10.1016/j.ejmech.2015.01.063 | ||
CHEMBL3417229 | 118682 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 595 | 6 | 1 | 4 | 7.3 | COc1cc(-c2ccc3c(c2)CCC3N[C@@H]2CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C2)c(F)cn1 | 10.1016/j.ejmech.2015.01.063 | ||
71745103 | 126336 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 492 | 4 | 1 | 5 | 3.9 | C[C@@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | ||
CHEMBL3650408 | 126336 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 492 | 4 | 1 | 5 | 3.9 | C[C@@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | ||
183790 | 3715 | 11 | None | -6 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
783 | 3715 | 11 | None | -6 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
CHEMBL1178786 | 3715 | 11 | None | -6 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
71454248 | 83966 | 0 | None | 25 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 422 | 5 | 1 | 6 | 4.1 | O=S(=O)(Nc1cc(Cl)c(Cl)cc1Cn1ccnn1)c1ccc(Cl)s1 | 10.1016/j.bmcl.2012.09.020 | ||
CHEMBL2207100 | 83966 | 0 | None | 25 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 422 | 5 | 1 | 6 | 4.1 | O=S(=O)(Nc1cc(Cl)c(Cl)cc1Cn1ccnn1)c1ccc(Cl)s1 | 10.1016/j.bmcl.2012.09.020 | ||
71214976 | 83967 | 0 | None | 79 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 450 | 5 | 1 | 5 | 4.5 | O=S(=O)(Nc1cc(Cl)c(Cl)cc1Cn1ccnn1)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.09.020 | ||
CHEMBL2207101 | 83967 | 0 | None | 79 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 450 | 5 | 1 | 5 | 4.5 | O=S(=O)(Nc1cc(Cl)c(Cl)cc1Cn1ccnn1)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.09.020 | ||
155545321 | 173430 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 311 | 4 | 2 | 6 | 1.5 | COc1cccc(Cc2c(C3CC3)[nH]c3nc(N)nn3c2=O)c1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4529401 | 173430 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 311 | 4 | 2 | 6 | 1.5 | COc1cccc(Cc2c(C3CC3)[nH]c3nc(N)nn3c2=O)c1 | 10.1021/acs.jmedchem.9b00742 | ||
89823621 | 126293 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 3.2 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(C(F)(F)F)n2)C1 | nan | ||
CHEMBL3650367 | 126293 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 3.2 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(C(F)(F)F)n2)C1 | nan | ||
71463165 | 83951 | 0 | None | 6 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 348 | 5 | 1 | 5 | 2.8 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccccc1 | 10.1016/j.bmcl.2012.09.020 | ||
CHEMBL2207086 | 83951 | 0 | None | 6 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 348 | 5 | 1 | 5 | 2.8 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccccc1 | 10.1016/j.bmcl.2012.09.020 | ||
9870980 | 154623 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 509 | 6 | 2 | 2 | 7.0 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](CN2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/s0960-894x(01)00397-3 | ||
CHEMBL399472 | 154623 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 509 | 6 | 2 | 2 | 7.0 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](CN2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/s0960-894x(01)00397-3 | ||
25110660 | 154848 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 525 | 6 | 3 | 3 | 6.7 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](CN2CCC(c3c[nH]c4ccc(O)cc34)CC2)CC1 | 10.1016/s0960-894x(01)00397-3 | ||
CHEMBL400698 | 154848 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 525 | 6 | 3 | 3 | 6.7 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](CN2CCC(c3c[nH]c4ccc(O)cc34)CC2)CC1 | 10.1016/s0960-894x(01)00397-3 | ||
10436045 | 3490 | 4 | None | -85 | 13 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
782 | 3490 | 4 | None | -85 | 13 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
CHEMBL432713 | 3490 | 4 | None | -85 | 13 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
118734580 | 118666 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 538 | 4 | 1 | 2 | 7.1 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3cc(C(F)(F)F)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
CHEMBL3417120 | 118666 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 538 | 4 | 1 | 2 | 7.1 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3cc(C(F)(F)F)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
118734582 | 118668 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 495 | 4 | 1 | 3 | 5.9 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3ccc(C#N)cc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
CHEMBL3417122 | 118668 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 495 | 4 | 1 | 3 | 5.9 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3ccc(C#N)cc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
118734688 | 118686 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 592 | 5 | 1 | 3 | 7.4 | COc1cc2c(cc1Br)C(C)CC2N[C@@H]1CC[C@@](C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)(C(C)C)C1 | 10.1016/j.ejmech.2015.01.063 | ||
CHEMBL3417233 | 118686 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 592 | 5 | 1 | 3 | 7.4 | COc1cc2c(cc1Br)C(C)CC2N[C@@H]1CC[C@@](C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)(C(C)C)C1 | 10.1016/j.ejmech.2015.01.063 | ||
155545321 | 173430 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 311 | 4 | 2 | 6 | 1.5 | COc1cccc(Cc2c(C3CC3)[nH]c3nc(N)nn3c2=O)c1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4529401 | 173430 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 311 | 4 | 2 | 6 | 1.5 | COc1cccc(Cc2c(C3CC3)[nH]c3nc(N)nn3c2=O)c1 | 10.1021/acs.jmedchem.9b00742 | ||
89823598 | 126339 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 506 | 5 | 1 | 5 | 4.2 | CC[C@@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | ||
CHEMBL3650410 | 126339 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 506 | 5 | 1 | 5 | 4.2 | CC[C@@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | ||
183790 | 3715 | 11 | None | -6 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
783 | 3715 | 11 | None | -6 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
CHEMBL1178786 | 3715 | 11 | None | -6 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
118734694 | 118693 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 562 | 4 | 1 | 2 | 7.4 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N[C@@H]2C[C@H](C)c3cc(Br)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
CHEMBL3417240 | 118693 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 562 | 4 | 1 | 2 | 7.4 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N[C@@H]2C[C@H](C)c3cc(Br)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
9902578 | 171331 | 0 | None | -4 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 341 | 5 | 1 | 3 | 4.5 | CCCC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
CHEMBL4461627 | 171331 | 0 | None | -4 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 341 | 5 | 1 | 3 | 4.5 | CCCC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
118723411 | 116298 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 503 | 6 | 3 | 4 | 4.4 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CCN(C2CCC(c3ccc(O)cc3)CC2)CC1 | 10.1016/j.bmcl.2014.10.060 | ||
CHEMBL3359300 | 116298 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 503 | 6 | 3 | 4 | 4.4 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CCN(C2CCC(c3ccc(O)cc3)CC2)CC1 | 10.1016/j.bmcl.2014.10.060 | ||
155523645 | 170854 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 315 | 3 | 2 | 5 | 2.1 | Nc1nc2[nH]c(C3CC3)c(Cc3ccccc3Cl)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4454297 | 170854 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 315 | 3 | 2 | 5 | 2.1 | Nc1nc2[nH]c(C3CC3)c(Cc3ccccc3Cl)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
155523645 | 170854 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 315 | 3 | 2 | 5 | 2.1 | Nc1nc2[nH]c(C3CC3)c(Cc3ccccc3Cl)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4454297 | 170854 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 315 | 3 | 2 | 5 | 2.1 | Nc1nc2[nH]c(C3CC3)c(Cc3ccccc3Cl)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
9902578 | 171331 | 0 | None | -4 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 341 | 5 | 1 | 3 | 4.5 | CCCC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
CHEMBL4461627 | 171331 | 0 | None | -4 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 341 | 5 | 1 | 3 | 4.5 | CCCC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
183790 | 3715 | 11 | None | -6 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
783 | 3715 | 11 | None | -6 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
CHEMBL1178786 | 3715 | 11 | None | -6 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
54597147 | 161348 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 594 | 5 | 0 | 7 | 3.3 | Cc1c(C(=O)N2CCC(N3CCC(N(C)S(C)(=O)=O)CC3)CC2)ncnc1N1CCc2ccc(C(F)(F)F)cc2C1 | 10.1016/j.bmc.2018.05.027 | ||
CHEMBL4126162 | 161348 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 594 | 5 | 0 | 7 | 3.3 | Cc1c(C(=O)N2CCC(N3CCC(N(C)S(C)(=O)=O)CC3)CC2)ncnc1N1CCc2ccc(C(F)(F)F)cc2C1 | 10.1016/j.bmc.2018.05.027 | ||
118734571 | 118656 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 500 | 5 | 1 | 4 | 5.2 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](NC2CCc3ccccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
CHEMBL3417110 | 118656 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 500 | 5 | 1 | 4 | 5.2 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](NC2CCc3ccccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
118734575 | 118660 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 495 | 4 | 1 | 3 | 5.9 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3c(C#N)cccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
CHEMBL3417114 | 118660 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 495 | 4 | 1 | 3 | 5.9 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3c(C#N)cccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
155521447 | 170560 | 0 | None | -2 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 421 | 4 | 1 | 3 | 4.7 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1)C1CC1 | 10.1021/acs.jmedchem.8b00605 | ||
CHEMBL4450561 | 170560 | 0 | None | -2 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 421 | 4 | 1 | 3 | 4.7 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1)C1CC1 | 10.1021/acs.jmedchem.8b00605 | ||
89823526 | 126321 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 538 | 4 | 0 | 4 | 5.7 | O=C(N1C[C@@H]2C[C@H]1CN2c1cc(C(F)(F)F)ccn1)[C@@]12CCC[C@@H]1C[C@@H](N1CCC(c3ccccc3)CC1)C2 | nan | ||
CHEMBL3650394 | 126321 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 538 | 4 | 0 | 4 | 5.7 | O=C(N1C[C@@H]2C[C@H]1CN2c1cc(C(F)(F)F)ccn1)[C@@]12CCC[C@@H]1C[C@@H](N1CCC(c3ccccc3)CC1)C2 | nan | ||
155521447 | 170560 | 0 | None | -2 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 421 | 4 | 1 | 3 | 4.7 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1)C1CC1 | 10.1021/acs.jmedchem.8b00605 | ||
CHEMBL4450561 | 170560 | 0 | None | -2 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 421 | 4 | 1 | 3 | 4.7 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1)C1CC1 | 10.1021/acs.jmedchem.8b00605 | ||
155518928 | 170321 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 295 | 3 | 2 | 5 | 1.8 | Cc1ccccc1Cc1c(C2CC2)[nH]c2nc(N)nn2c1=O | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4447263 | 170321 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 295 | 3 | 2 | 5 | 1.8 | Cc1ccccc1Cc1c(C2CC2)[nH]c2nc(N)nn2c1=O | 10.1021/acs.jmedchem.9b00742 | ||
155518928 | 170321 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 295 | 3 | 2 | 5 | 1.8 | Cc1ccccc1Cc1c(C2CC2)[nH]c2nc(N)nn2c1=O | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4447263 | 170321 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 295 | 3 | 2 | 5 | 1.8 | Cc1ccccc1Cc1c(C2CC2)[nH]c2nc(N)nn2c1=O | 10.1021/acs.jmedchem.9b00742 | ||
12093170 | 869 | 31 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 351 | 3 | 1 | 3 | 4.2 | Clc1ccc(c(c1)F)N1[C@H](C2CCCCC2)C(=C(C1=O)O)C(=O)C | 10.1021/acs.jmedchem.6b01309 | ||
9431 | 869 | 31 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 351 | 3 | 1 | 3 | 4.2 | Clc1ccc(c(c1)F)N1[C@H](C2CCCCC2)C(=C(C1=O)O)C(=O)C | 10.1021/acs.jmedchem.6b01309 | ||
CHEMBL4519152 | 869 | 31 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 351 | 3 | 1 | 3 | 4.2 | Clc1ccc(c(c1)F)N1[C@H](C2CCCCC2)C(=C(C1=O)O)C(=O)C | 10.1021/acs.jmedchem.6b01309 | ||
CHEMBL5268600 | 193548 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C2CCC(O)(c3ccc4c(c3)OCO4)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/acs.jmedchem.6b01309 | ||
71214710 | 83950 | 0 | None | 39 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 431 | 5 | 1 | 6 | 3.6 | Cn1nnnc1Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
CHEMBL2207085 | 83950 | 0 | None | 39 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 431 | 5 | 1 | 6 | 3.6 | Cn1nnnc1Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
10293022 | 171074 | 12 | None | 1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 377 | 3 | 1 | 3 | 4.1 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
CHEMBL4457687 | 171074 | 12 | None | 1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 377 | 3 | 1 | 3 | 4.1 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
3013430 | 21099 | 1 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 480 | 6 | 1 | 3 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCC3)cc1 | 10.1021/jm030862l | ||
CHEMBL131243 | 21099 | 1 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 480 | 6 | 1 | 3 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCC3)cc1 | 10.1021/jm030862l | ||
155530253 | 171497 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 365 | 3 | 2 | 5 | 3.2 | Cc1ccc(-c2[nH]c3nc(N)nn3c(=O)c2Cc2cccc(Cl)c2)cc1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4464168 | 171497 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 365 | 3 | 2 | 5 | 3.2 | Cc1ccc(-c2[nH]c3nc(N)nn3c(=O)c2Cc2cccc(Cl)c2)cc1 | 10.1021/acs.jmedchem.9b00742 | ||
155545804 | 173473 | 0 | None | -5 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 355 | 6 | 1 | 3 | 4.9 | CCCCC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
CHEMBL4530510 | 173473 | 0 | None | -5 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 355 | 6 | 1 | 3 | 4.9 | CCCCC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
10132885 | 175114 | 0 | None | -7 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 355 | 3 | 1 | 3 | 4.7 | Cc1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
CHEMBL4569870 | 175114 | 0 | None | -7 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 355 | 3 | 1 | 3 | 4.7 | Cc1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
155545804 | 173473 | 0 | None | -5 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 355 | 6 | 1 | 3 | 4.9 | CCCCC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
CHEMBL4530510 | 173473 | 0 | None | -5 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 355 | 6 | 1 | 3 | 4.9 | CCCCC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
10132885 | 175114 | 0 | None | -7 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 355 | 3 | 1 | 3 | 4.7 | Cc1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
CHEMBL4569870 | 175114 | 0 | None | -7 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 355 | 3 | 1 | 3 | 4.7 | Cc1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
155535265 | 171995 | 0 | None | -8 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 339 | 4 | 1 | 3 | 4.1 | Cc1ccc(N2C(=O)C(O)=C(C(=O)C3CC3)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
CHEMBL4471583 | 171995 | 0 | None | -8 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 339 | 4 | 1 | 3 | 4.1 | Cc1ccc(N2C(=O)C(O)=C(C(=O)C3CC3)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
155530253 | 171497 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 365 | 3 | 2 | 5 | 3.2 | Cc1ccc(-c2[nH]c3nc(N)nn3c(=O)c2Cc2cccc(Cl)c2)cc1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4464168 | 171497 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 365 | 3 | 2 | 5 | 3.2 | Cc1ccc(-c2[nH]c3nc(N)nn3c(=O)c2Cc2cccc(Cl)c2)cc1 | 10.1021/acs.jmedchem.9b00742 | ||
71456007 | 83957 | 0 | None | 1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 373 | 5 | 1 | 6 | 2.7 | N#Cc1cccc(S(=O)(=O)Nc2cc(Cl)ccc2Cn2ccnn2)c1 | 10.1016/j.bmcl.2012.09.020 | ||
CHEMBL2207092 | 83957 | 0 | None | 1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 373 | 5 | 1 | 6 | 2.7 | N#Cc1cccc(S(=O)(=O)Nc2cc(Cl)ccc2Cn2ccnn2)c1 | 10.1016/j.bmcl.2012.09.020 | ||
89823445 | 126325 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 546 | 5 | 0 | 6 | 4.1 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccc2C#N)C1 | nan | ||
CHEMBL3650398 | 126325 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 546 | 5 | 0 | 6 | 4.1 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccc2C#N)C1 | nan | ||
10436045 | 3490 | 4 | None | -85 | 13 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
782 | 3490 | 4 | None | -85 | 13 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
CHEMBL432713 | 3490 | 4 | None | -85 | 13 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
53389980 | 172203 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 289 | 2 | 2 | 5 | 1.6 | Cc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4474089 | 172203 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 289 | 2 | 2 | 5 | 1.6 | Cc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
155535265 | 171995 | 0 | None | -8 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 339 | 4 | 1 | 3 | 4.1 | Cc1ccc(N2C(=O)C(O)=C(C(=O)C3CC3)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
CHEMBL4471583 | 171995 | 0 | None | -8 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 339 | 4 | 1 | 3 | 4.1 | Cc1ccc(N2C(=O)C(O)=C(C(=O)C3CC3)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
5353432 | 97467 | 89 | None | -1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 249 | 2 | 0 | 3 | 2.8 | CC(C)(C)c1ccc(S(=O)(=O)/C=C/C#N)cc1 | nan | ||
CHEMBL270299 | 97467 | 89 | None | -1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 249 | 2 | 0 | 3 | 2.8 | CC(C)(C)c1ccc(S(=O)(=O)/C=C/C#N)cc1 | nan | ||
9924108 | 171749 | 0 | None | -2 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 341 | 3 | 1 | 3 | 4.5 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
CHEMBL4467708 | 171749 | 0 | None | -2 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 341 | 3 | 1 | 3 | 4.5 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
10436045 | 3490 | 4 | None | -85 | 13 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
782 | 3490 | 4 | None | -85 | 13 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
CHEMBL432713 | 3490 | 4 | None | -85 | 13 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
10436045 | 3490 | 4 | None | -85 | 13 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
782 | 3490 | 4 | None | -85 | 13 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
CHEMBL432713 | 3490 | 4 | None | -85 | 13 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
10293022 | 171074 | 12 | None | 1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 377 | 3 | 1 | 3 | 4.1 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
CHEMBL4457687 | 171074 | 12 | None | 1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 377 | 3 | 1 | 3 | 4.1 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
89823661 | 126318 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 541 | 5 | 1 | 5 | 4.5 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(Cl)c(C(F)(F)F)c2)C1 | nan | ||
CHEMBL3650391 | 126318 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 541 | 5 | 1 | 5 | 4.5 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(Cl)c(C(F)(F)F)c2)C1 | nan | ||
53389980 | 172203 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 289 | 2 | 2 | 5 | 1.6 | Cc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4474089 | 172203 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 289 | 2 | 2 | 5 | 1.6 | Cc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
183790 | 3715 | 11 | None | -6 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
783 | 3715 | 11 | None | -6 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
CHEMBL1178786 | 3715 | 11 | None | -6 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
22335694 | 171534 | 0 | None | 2 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 327 | 3 | 1 | 3 | 4.0 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
CHEMBL4464639 | 171534 | 0 | None | 2 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 327 | 3 | 1 | 3 | 4.0 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
9924108 | 171749 | 0 | None | -2 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 341 | 3 | 1 | 3 | 4.5 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
CHEMBL4467708 | 171749 | 0 | None | -2 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 341 | 3 | 1 | 3 | 4.5 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
781 | 3371 | 80 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | ||
9953769 | 3371 | 80 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | ||
CHEMBL134074 | 3371 | 80 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | ||
155522874 | 170815 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 373 | 8 | 2 | 5 | 3.8 | CCCCCCCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4453718 | 170815 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 373 | 8 | 2 | 5 | 3.8 | CCCCCCCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
155522874 | 170815 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 373 | 8 | 2 | 5 | 3.8 | CCCCCCCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4453718 | 170815 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 373 | 8 | 2 | 5 | 3.8 | CCCCCCCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
22335694 | 171534 | 0 | None | 2 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 327 | 3 | 1 | 3 | 4.0 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
CHEMBL4464639 | 171534 | 0 | None | 2 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 327 | 3 | 1 | 3 | 4.0 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
9902204 | 170102 | 12 | None | 2 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 333 | 3 | 1 | 3 | 4.0 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
CHEMBL4443909 | 170102 | 12 | None | 2 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 333 | 3 | 1 | 3 | 4.0 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
183790 | 3715 | 11 | None | -6 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
783 | 3715 | 11 | None | -6 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
CHEMBL1178786 | 3715 | 11 | None | -6 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
44353447 | 3746 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | ||
785 | 3746 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | ||
CHEMBL337246 | 3746 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | ||
9902204 | 170102 | 12 | None | 2 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 333 | 3 | 1 | 3 | 4.0 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
CHEMBL4443909 | 170102 | 12 | None | 2 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 333 | 3 | 1 | 3 | 4.0 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
162671727 | 182947 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 601 | 10 | 3 | 5 | 5.6 | C=CC(=O)NCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
CHEMBL4793148 | 182947 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 601 | 10 | 3 | 5 | 5.6 | C=CC(=O)NCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
118734693 | 118692 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 562 | 4 | 1 | 2 | 7.4 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N[C@@H]2C[C@@H](C)c3cc(Br)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
CHEMBL3417239 | 118692 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 562 | 4 | 1 | 2 | 7.4 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N[C@@H]2C[C@@H](C)c3cc(Br)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
89823498 | 126287 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 521 | 5 | 1 | 5 | 4.1 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccc2C)C1 | nan | ||
CHEMBL3650361 | 126287 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 521 | 5 | 1 | 5 | 4.1 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccc2C)C1 | nan | ||
781 | 3371 | 80 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/acs.jmedchem.6b01309 | ||
9953769 | 3371 | 80 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/acs.jmedchem.6b01309 | ||
CHEMBL134074 | 3371 | 80 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/acs.jmedchem.6b01309 | ||
3794409 | 170732 | 7 | None | -3 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 341 | 3 | 1 | 3 | 4.1 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1ccc(Cl)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
CHEMBL4452558 | 170732 | 7 | None | -3 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 341 | 3 | 1 | 3 | 4.1 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1ccc(Cl)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
76167595 | 161440 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 493 | 6 | 2 | 7 | 3.8 | COC1COCCC1NC1CCN(C(=O)c2ncnc(Nc3ccc(Cl)c(Cl)c3)c2C)CC1 | 10.1016/j.bmc.2018.05.027 | ||
CHEMBL4127538 | 161440 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 493 | 6 | 2 | 7 | 3.8 | COC1COCCC1NC1CCN(C(=O)c2ncnc(Nc3ccc(Cl)c(Cl)c3)c2C)CC1 | 10.1016/j.bmc.2018.05.027 | ||
118734686 | 118684 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 562 | 4 | 1 | 2 | 7.4 | CC1CC(N[C@@H]2CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C2)c2ccc(Br)cc21 | 10.1016/j.ejmech.2015.01.063 | ||
CHEMBL3417231 | 118684 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 562 | 4 | 1 | 2 | 7.4 | CC1CC(N[C@@H]2CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C2)c2ccc(Br)cc21 | 10.1016/j.ejmech.2015.01.063 | ||
118734691 | 118690 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 562 | 4 | 1 | 2 | 7.4 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N[C@H]2C[C@@H](C)c3cc(Br)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
CHEMBL3417237 | 118690 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 562 | 4 | 1 | 2 | 7.4 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N[C@H]2C[C@@H](C)c3cc(Br)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
183790 | 3715 | 11 | None | -6 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.bmc.2015.02.019 | ||
783 | 3715 | 11 | None | -6 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.bmc.2015.02.019 | ||
CHEMBL1178786 | 3715 | 11 | None | -6 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.bmc.2015.02.019 | ||
71718930 | 87798 | 0 | None | 75 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 601 | 5 | 1 | 7 | 4.4 | CO[C@@H]1COCC[C@@H]1NC1CCN(C(=O)c2nc(C(F)(F)F)nc(N3CCc4cc(C(F)(F)F)ccc4C3)c2C)CC1 | 10.1021/ml400055e | ||
CHEMBL2338390 | 87798 | 0 | None | 75 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 601 | 5 | 1 | 7 | 4.4 | CO[C@@H]1COCC[C@@H]1NC1CCN(C(=O)c2nc(C(F)(F)F)nc(N3CCc4cc(C(F)(F)F)ccc4C3)c2C)CC1 | 10.1021/ml400055e | ||
155551912 | 175112 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 439 | 3 | 2 | 5 | 3.2 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cc(Br)cc(Br)c1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4569807 | 175112 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 439 | 3 | 2 | 5 | 3.2 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cc(Br)cc(Br)c1 | 10.1021/acs.jmedchem.9b00742 | ||
155551912 | 175112 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 439 | 3 | 2 | 5 | 3.2 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cc(Br)cc(Br)c1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4569807 | 175112 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 439 | 3 | 2 | 5 | 3.2 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cc(Br)cc(Br)c1 | 10.1021/acs.jmedchem.9b00742 | ||
155540798 | 172911 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cc(Cl)cc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4516788 | 172911 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cc(Cl)cc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
118734572 | 118657 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 470 | 4 | 1 | 2 | 6.1 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3ccccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
CHEMBL3417111 | 118657 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 470 | 4 | 1 | 2 | 6.1 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3ccccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
155540798 | 172911 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cc(Cl)cc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4516788 | 172911 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cc(Cl)cc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
53389710 | 172257 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 331 | 5 | 2 | 5 | 2.6 | CCCCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4474757 | 172257 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 331 | 5 | 2 | 5 | 2.6 | CCCCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
71576618 | 118664 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 548 | 4 | 1 | 2 | 6.8 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3cc(Br)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
CHEMBL3417118 | 118664 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 548 | 4 | 1 | 2 | 6.8 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3cc(Br)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
53389710 | 172257 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 331 | 5 | 2 | 5 | 2.6 | CCCCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4474757 | 172257 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 331 | 5 | 2 | 5 | 2.6 | CCCCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
73334813 | 118688 | 17 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 548 | 4 | 1 | 2 | 6.8 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N[C@@H]2CCc3cc(Br)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
CHEMBL3417235 | 118688 | 17 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 548 | 4 | 1 | 2 | 6.8 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N[C@@H]2CCc3cc(Br)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
162666730 | 182250 | 1 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
CHEMBL4783861 | 182250 | 1 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
155560784 | 175027 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 295 | 3 | 2 | 5 | 1.8 | Cc1cccc(Cc2c(C3CC3)[nH]c3nc(N)nn3c2=O)c1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4567816 | 175027 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 295 | 3 | 2 | 5 | 1.8 | Cc1cccc(Cc2c(C3CC3)[nH]c3nc(N)nn3c2=O)c1 | 10.1021/acs.jmedchem.9b00742 | ||
155560784 | 175027 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 295 | 3 | 2 | 5 | 1.8 | Cc1cccc(Cc2c(C3CC3)[nH]c3nc(N)nn3c2=O)c1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4567816 | 175027 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 295 | 3 | 2 | 5 | 1.8 | Cc1cccc(Cc2c(C3CC3)[nH]c3nc(N)nn3c2=O)c1 | 10.1021/acs.jmedchem.9b00742 | ||
183790 | 3715 | 11 | None | -6 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
783 | 3715 | 11 | None | -6 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
CHEMBL1178786 | 3715 | 11 | None | -6 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
155541801 | 173032 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 299 | 3 | 2 | 5 | 1.6 | Nc1nc2[nH]c(C3CC3)c(Cc3cccc(F)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4519409 | 173032 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 299 | 3 | 2 | 5 | 1.6 | Nc1nc2[nH]c(C3CC3)c(Cc3cccc(F)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
155527193 | 171145 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 311 | 4 | 2 | 6 | 1.5 | COc1ccc(Cc2c(C3CC3)[nH]c3nc(N)nn3c2=O)cc1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4458846 | 171145 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 311 | 4 | 2 | 6 | 1.5 | COc1ccc(Cc2c(C3CC3)[nH]c3nc(N)nn3c2=O)cc1 | 10.1021/acs.jmedchem.9b00742 | ||
155527193 | 171145 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 311 | 4 | 2 | 6 | 1.5 | COc1ccc(Cc2c(C3CC3)[nH]c3nc(N)nn3c2=O)cc1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4458846 | 171145 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 311 | 4 | 2 | 6 | 1.5 | COc1ccc(Cc2c(C3CC3)[nH]c3nc(N)nn3c2=O)cc1 | 10.1021/acs.jmedchem.9b00742 | ||
3013430 | 21099 | 1 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 480 | 6 | 1 | 3 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCC3)cc1 | 10.1021/jm030862l | ||
CHEMBL131243 | 21099 | 1 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 480 | 6 | 1 | 3 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCC3)cc1 | 10.1021/jm030862l | ||
3794409 | 170732 | 7 | None | -3 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 341 | 3 | 1 | 3 | 4.1 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1ccc(Cl)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
CHEMBL4452558 | 170732 | 7 | None | -3 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 341 | 3 | 1 | 3 | 4.1 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1ccc(Cl)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
89823496 | 126289 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 507 | 5 | 1 | 5 | 3.8 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(C(F)(F)F)c2)C1 | nan | ||
CHEMBL3650363 | 126289 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 507 | 5 | 1 | 5 | 3.8 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(C(F)(F)F)c2)C1 | nan | ||
781 | 3371 | 80 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | ||
9953769 | 3371 | 80 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | ||
CHEMBL134074 | 3371 | 80 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | ||
10436045 | 3490 | 4 | None | -85 | 13 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
782 | 3490 | 4 | None | -85 | 13 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
CHEMBL432713 | 3490 | 4 | None | -85 | 13 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
118734576 | 118661 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 486 | 4 | 2 | 3 | 5.8 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3c(O)cccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
CHEMBL3417115 | 118661 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 486 | 4 | 2 | 3 | 5.8 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3c(O)cccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
89823628 | 126323 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 555 | 5 | 0 | 5 | 4.8 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(Cl)c(C(F)(F)F)c2)C1 | nan | ||
CHEMBL3650396 | 126323 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 555 | 5 | 0 | 5 | 4.8 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(Cl)c(C(F)(F)F)c2)C1 | nan | ||
183790 | 3715 | 11 | None | -6 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
783 | 3715 | 11 | None | -6 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
CHEMBL1178786 | 3715 | 11 | None | -6 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
155550777 | 174263 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 359 | 7 | 2 | 5 | 3.4 | CCCCCCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4549837 | 174263 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 359 | 7 | 2 | 5 | 3.4 | CCCCCCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
3796276 | 170826 | 7 | None | -2 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 385 | 3 | 1 | 3 | 4.2 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1ccc(Br)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
CHEMBL4453953 | 170826 | 7 | None | -2 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 385 | 3 | 1 | 3 | 4.2 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1ccc(Br)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
155526680 | 171105 | 0 | None | -3 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 467 | 3 | 1 | 3 | 4.8 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1c1cccc(Br)c1 | 10.1021/acs.jmedchem.8b00605 | ||
CHEMBL4458295 | 171105 | 0 | None | -3 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 467 | 3 | 1 | 3 | 4.8 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1c1cccc(Br)c1 | 10.1021/acs.jmedchem.8b00605 | ||
12093162 | 173302 | 0 | None | 1 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 329 | 4 | 1 | 4 | 3.4 | COc1ccc(N2C(=O)C(O)=C(C(C)=O)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
CHEMBL4526524 | 173302 | 0 | None | 1 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 329 | 4 | 1 | 4 | 3.4 | COc1ccc(N2C(=O)C(O)=C(C(C)=O)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
3796276 | 170826 | 7 | None | -2 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 385 | 3 | 1 | 3 | 4.2 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1ccc(Br)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
CHEMBL4453953 | 170826 | 7 | None | -2 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 385 | 3 | 1 | 3 | 4.2 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1ccc(Br)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
155526680 | 171105 | 0 | None | -3 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 467 | 3 | 1 | 3 | 4.8 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1c1cccc(Br)c1 | 10.1021/acs.jmedchem.8b00605 | ||
CHEMBL4458295 | 171105 | 0 | None | -3 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 467 | 3 | 1 | 3 | 4.8 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1c1cccc(Br)c1 | 10.1021/acs.jmedchem.8b00605 | ||
12093162 | 173302 | 0 | None | 1 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 329 | 4 | 1 | 4 | 3.4 | COc1ccc(N2C(=O)C(O)=C(C(C)=O)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
CHEMBL4526524 | 173302 | 0 | None | 1 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 329 | 4 | 1 | 4 | 3.4 | COc1ccc(N2C(=O)C(O)=C(C(C)=O)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
781 | 3371 | 80 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | ||
9953769 | 3371 | 80 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | ||
CHEMBL134074 | 3371 | 80 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | ||
162671727 | 182947 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 601 | 10 | 3 | 5 | 5.6 | C=CC(=O)NCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
CHEMBL4793148 | 182947 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 601 | 10 | 3 | 5 | 5.6 | C=CC(=O)NCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
155550777 | 174263 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 359 | 7 | 2 | 5 | 3.4 | CCCCCCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4549837 | 174263 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 359 | 7 | 2 | 5 | 3.4 | CCCCCCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
155513605 | 169756 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cc(Cl)ccc1Cl | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4439033 | 169756 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cc(Cl)ccc1Cl | 10.1021/acs.jmedchem.9b00742 | ||
155513605 | 169756 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cc(Cl)ccc1Cl | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4439033 | 169756 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cc(Cl)ccc1Cl | 10.1021/acs.jmedchem.9b00742 | ||
155553131 | 174087 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 2.9 | Nc1nc2[nH]c(-c3ccccc3)c(Cc3cccc(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4545333 | 174087 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 2.9 | Nc1nc2[nH]c(-c3ccccc3)c(Cc3cccc(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
10436045 | 3490 | 4 | None | -85 | 13 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
782 | 3490 | 4 | None | -85 | 13 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
CHEMBL432713 | 3490 | 4 | None | -85 | 13 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
3013430 | 21099 | 1 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 480 | 6 | 1 | 3 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCC3)cc1 | 10.1021/jm030862l | ||
CHEMBL131243 | 21099 | 1 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 480 | 6 | 1 | 3 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCC3)cc1 | 10.1021/jm030862l | ||
118734581 | 118667 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 484 | 4 | 1 | 2 | 6.4 | Cc1ccc2c(c1)C(N[C@@H]1CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C1)CC2 | 10.1016/j.ejmech.2015.01.063 | ||
CHEMBL3417121 | 118667 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 484 | 4 | 1 | 2 | 6.4 | Cc1ccc2c(c1)C(N[C@@H]1CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C1)CC2 | 10.1016/j.ejmech.2015.01.063 | ||
118734683 | 118681 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 577 | 6 | 1 | 4 | 7.1 | COc1cc(-c2ccc3c(c2)CCC3N[C@@H]2CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C2)ccn1 | 10.1016/j.ejmech.2015.01.063 | ||
CHEMBL3417228 | 118681 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 577 | 6 | 1 | 4 | 7.1 | COc1cc(-c2ccc3c(c2)CCC3N[C@@H]2CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C2)ccn1 | 10.1016/j.ejmech.2015.01.063 | ||
3013430 | 21099 | 1 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 480 | 6 | 1 | 3 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCC3)cc1 | 10.1021/jm030862l | ||
CHEMBL131243 | 21099 | 1 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 480 | 6 | 1 | 3 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCC3)cc1 | 10.1021/jm030862l | ||
9967465 | 172063 | 11 | None | 2 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 333 | 3 | 1 | 3 | 4.0 | CC(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
CHEMBL4472384 | 172063 | 11 | None | 2 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 333 | 3 | 1 | 3 | 4.0 | CC(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
9967465 | 172063 | 11 | None | 2 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 333 | 3 | 1 | 3 | 4.0 | CC(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
CHEMBL4472384 | 172063 | 11 | None | 2 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 333 | 3 | 1 | 3 | 4.0 | CC(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
68070944 | 161436 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 582 | 8 | 1 | 7 | 4.1 | CCS(=O)(=O)N(C)C1CCN(C2CCN(C(=O)c3ncnc(NCc4ccc(Cl)c(Cl)c4)c3C)CC2)CC1 | 10.1016/j.bmc.2018.05.027 | ||
CHEMBL4127496 | 161436 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 582 | 8 | 1 | 7 | 4.1 | CCS(=O)(=O)N(C)C1CCN(C2CCN(C(=O)c3ncnc(NCc4ccc(Cl)c(Cl)c4)c3C)CC2)CC1 | 10.1016/j.bmc.2018.05.027 | ||
118734690 | 118689 | 3 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 548 | 4 | 1 | 2 | 6.8 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N[C@H]2CCc3cc(Br)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
CHEMBL3417236 | 118689 | 3 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 548 | 4 | 1 | 2 | 6.8 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N[C@H]2CCc3cc(Br)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
10436045 | 3490 | 4 | None | -85 | 13 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
782 | 3490 | 4 | None | -85 | 13 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
CHEMBL432713 | 3490 | 4 | None | -85 | 13 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
71450657 | 83959 | 0 | None | 15 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 422 | 5 | 1 | 6 | 4.1 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1cc(Cl)c(Cl)s1 | 10.1016/j.bmcl.2012.09.020 | ||
CHEMBL2207094 | 83959 | 0 | None | 15 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 422 | 5 | 1 | 6 | 4.1 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1cc(Cl)c(Cl)s1 | 10.1016/j.bmcl.2012.09.020 | ||
15604497 | 83964 | 0 | None | 39 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 432 | 5 | 1 | 7 | 3.0 | Cn1nnnc1Cc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
CHEMBL2207099 | 83964 | 0 | None | 39 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 432 | 5 | 1 | 7 | 3.0 | Cn1nnnc1Cc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
44309012 | 102796 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 525 | 9 | 3 | 3 | 6.9 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1[C@H]2CC[C@@H]1CC(c1c[nH]c3ccc(O)cc13)C2 | 10.1016/s0960-894x(01)00397-3 | ||
CHEMBL305470 | 102796 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 525 | 9 | 3 | 3 | 6.9 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1[C@H]2CC[C@@H]1CC(c1c[nH]c3ccc(O)cc13)C2 | 10.1016/s0960-894x(01)00397-3 | ||
71463166 | 83961 | 0 | None | 7 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 390 | 5 | 1 | 8 | 2.3 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1cccc2nonc12 | 10.1016/j.bmcl.2012.09.020 | ||
CHEMBL2207096 | 83961 | 0 | None | 7 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 390 | 5 | 1 | 8 | 2.3 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1cccc2nonc12 | 10.1016/j.bmcl.2012.09.020 | ||
44309012 | 102796 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 525 | 9 | 3 | 3 | 6.9 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1[C@H]2CC[C@@H]1CC(c1c[nH]c3ccc(O)cc13)C2 | 10.1016/s0960-894x(01)00397-3 | ||
CHEMBL305470 | 102796 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 525 | 9 | 3 | 3 | 6.9 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1[C@H]2CC[C@@H]1CC(c1c[nH]c3ccc(O)cc13)C2 | 10.1016/s0960-894x(01)00397-3 | ||
781 | 3371 | 80 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | ||
9953769 | 3371 | 80 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | ||
CHEMBL134074 | 3371 | 80 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | ||
10436045 | 3490 | 4 | None | -85 | 13 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
782 | 3490 | 4 | None | -85 | 13 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
CHEMBL432713 | 3490 | 4 | None | -85 | 13 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
44353447 | 3746 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | ||
785 | 3746 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | ||
CHEMBL337246 | 3746 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | ||
3013430 | 21099 | 1 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 480 | 6 | 1 | 3 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCC3)cc1 | 10.1021/jm030862l | ||
CHEMBL131243 | 21099 | 1 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 480 | 6 | 1 | 3 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCC3)cc1 | 10.1021/jm030862l | ||
11080 | 29054 | 79 | None | -1 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 185 | 1 | 0 | 2 | 3.6 | S=C=Nc1cccc2ccccc12 | nan | ||
CHEMBL1381098 | 29054 | 79 | None | -1 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 185 | 1 | 0 | 2 | 3.6 | S=C=Nc1cccc2ccccc12 | nan | ||
155553131 | 174087 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 2.9 | Nc1nc2[nH]c(-c3ccccc3)c(Cc3cccc(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4545333 | 174087 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 2.9 | Nc1nc2[nH]c(-c3ccccc3)c(Cc3cccc(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
89823470 | 126283 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 509 | 5 | 1 | 7 | 2.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccc(C(F)(F)F)n2)C1 | nan | ||
CHEMBL3650357 | 126283 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 509 | 5 | 1 | 7 | 2.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccc(C(F)(F)F)n2)C1 | nan | ||
12093163 | 174378 | 0 | None | 1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 313 | 3 | 1 | 3 | 3.7 | CC(=O)C1=C(O)C(=O)N(c2cccc(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
CHEMBL4552420 | 174378 | 0 | None | 1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 313 | 3 | 1 | 3 | 3.7 | CC(=O)C1=C(O)C(=O)N(c2cccc(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
12093163 | 174378 | 0 | None | 1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 313 | 3 | 1 | 3 | 3.7 | CC(=O)C1=C(O)C(=O)N(c2cccc(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
CHEMBL4552420 | 174378 | 0 | None | 1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 313 | 3 | 1 | 3 | 3.7 | CC(=O)C1=C(O)C(=O)N(c2cccc(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
183790 | 3715 | 11 | None | -6 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
783 | 3715 | 11 | None | -6 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
CHEMBL1178786 | 3715 | 11 | None | -6 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
118723406 | 116296 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 501 | 6 | 2 | 3 | 5.1 | Cc1cccc(C2CCC(N3CCC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)CC3)CC2)c1 | 10.1016/j.bmcl.2014.10.060 | ||
CHEMBL3359295 | 116296 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 501 | 6 | 2 | 3 | 5.1 | Cc1cccc(C2CCC(N3CCC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)CC3)CC2)c1 | 10.1016/j.bmcl.2014.10.060 | ||
89823507 | 126296 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 525 | 5 | 1 | 5 | 4.0 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(F)cc(C(F)(F)F)c2)C1 | nan | ||
CHEMBL3650370 | 126296 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 525 | 5 | 1 | 5 | 4.0 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(F)cc(C(F)(F)F)c2)C1 | nan | ||
89823552 | 126277 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 509 | 5 | 1 | 7 | 2.6 | CO[C@@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)cnn2)C1 | nan | ||
CHEMBL3650351 | 126277 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 509 | 5 | 1 | 7 | 2.6 | CO[C@@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)cnn2)C1 | nan | ||
183790 | 3715 | 11 | None | -6 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
783 | 3715 | 11 | None | -6 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
CHEMBL1178786 | 3715 | 11 | None | -6 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
3013430 | 21099 | 1 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 480 | 6 | 1 | 3 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCC3)cc1 | 10.1021/jm030862l | ||
CHEMBL131243 | 21099 | 1 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 480 | 6 | 1 | 3 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCC3)cc1 | 10.1021/jm030862l | ||
44353447 | 3746 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | ||
785 | 3746 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | ||
CHEMBL337246 | 3746 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | ||
155540563 | 172513 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 367 | 3 | 1 | 3 | 4.4 | CC(=O)C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
CHEMBL4483756 | 172513 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 367 | 3 | 1 | 3 | 4.4 | CC(=O)C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
9949615 | 138179 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 335 | 3 | 2 | 3 | 4.4 | O=C(O)c1cc2cc(O)ccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2006.04.045 | ||
CHEMBL376981 | 138179 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 335 | 3 | 2 | 3 | 4.4 | O=C(O)c1cc2cc(O)ccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2006.04.045 | ||
89823551 | 126286 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 525 | 5 | 1 | 5 | 4.0 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(F)c(C(F)(F)F)c2)C1 | nan | ||
CHEMBL3650360 | 126286 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 525 | 5 | 1 | 5 | 4.0 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(F)c(C(F)(F)F)c2)C1 | nan | ||
118734685 | 118683 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 484 | 4 | 1 | 2 | 6.6 | CC1CC(N[C@@H]2CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C2)c2ccccc21 | 10.1016/j.ejmech.2015.01.063 | ||
CHEMBL3417230 | 118683 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 484 | 4 | 1 | 2 | 6.6 | CC1CC(N[C@@H]2CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C2)c2ccccc21 | 10.1016/j.ejmech.2015.01.063 | ||
155541801 | 173032 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 299 | 3 | 2 | 5 | 1.6 | Nc1nc2[nH]c(C3CC3)c(Cc3cccc(F)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4519409 | 173032 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 299 | 3 | 2 | 5 | 1.6 | Nc1nc2[nH]c(C3CC3)c(Cc3cccc(F)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
155535293 | 172021 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 295 | 3 | 2 | 5 | 1.8 | Cc1ccc(Cc2c(C3CC3)[nH]c3nc(N)nn3c2=O)cc1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4471792 | 172021 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 295 | 3 | 2 | 5 | 1.8 | Cc1ccc(Cc2c(C3CC3)[nH]c3nc(N)nn3c2=O)cc1 | 10.1021/acs.jmedchem.9b00742 | ||
53389636 | 172376 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 317 | 4 | 2 | 5 | 2.2 | CCCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4476551 | 172376 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 317 | 4 | 2 | 5 | 2.2 | CCCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
155543260 | 173265 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 314 | 3 | 1 | 4 | 2.8 | Cc1nc2[nH]c(C3CC3)c(Cc3cccc(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4525646 | 173265 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 314 | 3 | 1 | 4 | 2.8 | Cc1nc2[nH]c(C3CC3)c(Cc3cccc(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
155535293 | 172021 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 295 | 3 | 2 | 5 | 1.8 | Cc1ccc(Cc2c(C3CC3)[nH]c3nc(N)nn3c2=O)cc1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4471792 | 172021 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 295 | 3 | 2 | 5 | 1.8 | Cc1ccc(Cc2c(C3CC3)[nH]c3nc(N)nn3c2=O)cc1 | 10.1021/acs.jmedchem.9b00742 | ||
155543260 | 173265 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 314 | 3 | 1 | 4 | 2.8 | Cc1nc2[nH]c(C3CC3)c(Cc3cccc(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4525646 | 173265 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 314 | 3 | 1 | 4 | 2.8 | Cc1nc2[nH]c(C3CC3)c(Cc3cccc(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
53389636 | 172376 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 317 | 4 | 2 | 5 | 2.2 | CCCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4476551 | 172376 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 317 | 4 | 2 | 5 | 2.2 | CCCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
162666730 | 182250 | 1 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
CHEMBL4783861 | 182250 | 1 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
162658125 | 181072 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
CHEMBL4760108 | 181072 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
53389641 | 175929 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 303 | 3 | 2 | 5 | 1.8 | CCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4588111 | 175929 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 303 | 3 | 2 | 5 | 1.8 | CCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
86698129 | 126278 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 522 | 5 | 0 | 6 | 3.6 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | ||
CHEMBL3650352 | 126278 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 522 | 5 | 0 | 6 | 3.6 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | ||
3013430 | 21099 | 1 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 480 | 6 | 1 | 3 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCC3)cc1 | 10.1021/jm030862l | ||
CHEMBL131243 | 21099 | 1 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 480 | 6 | 1 | 3 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCC3)cc1 | 10.1021/jm030862l | ||
155540563 | 172513 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 367 | 3 | 1 | 3 | 4.4 | CC(=O)C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
CHEMBL4483756 | 172513 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 367 | 3 | 1 | 3 | 4.4 | CC(=O)C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
89823349 | 126290 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 521 | 5 | 1 | 5 | 4.1 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(C)c(C(F)(F)F)c2)C1 | nan | ||
CHEMBL3650364 | 126290 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 521 | 5 | 1 | 5 | 4.1 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(C)c(C(F)(F)F)c2)C1 | nan | ||
118734573 | 118658 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 484 | 4 | 1 | 2 | 6.4 | Cc1cccc2c1CCC2N[C@@H]1CC[C@@](C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)(C(C)C)C1 | 10.1016/j.ejmech.2015.01.063 | ||
CHEMBL3417112 | 118658 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 484 | 4 | 1 | 2 | 6.4 | Cc1cccc2c1CCC2N[C@@H]1CC[C@@](C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)(C(C)C)C1 | 10.1016/j.ejmech.2015.01.063 | ||
162671079 | 182828 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.4 | O=C(NCCN=C=S)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
CHEMBL4791522 | 182828 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.4 | O=C(NCCN=C=S)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
89823575 | 126285 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 525 | 5 | 1 | 5 | 4.0 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccc2F)C1 | nan | ||
CHEMBL3650359 | 126285 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 525 | 5 | 1 | 5 | 4.0 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccc2F)C1 | nan | ||
15985914 | 83945 | 0 | None | 8 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 457 | 6 | 1 | 6 | 4.4 | O=S(=O)(Nc1cc(Cl)ccc1Cn1nnnc1C1CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
CHEMBL2207080 | 83945 | 0 | None | 8 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 457 | 6 | 1 | 6 | 4.4 | O=S(=O)(Nc1cc(Cl)ccc1Cn1nnnc1C1CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
71461440 | 83962 | 0 | None | 31 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 400 | 5 | 1 | 5 | 3.6 | O=S(=O)(Nc1cc(F)ccc1Cn1ccnn1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
CHEMBL2207097 | 83962 | 0 | None | 31 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 400 | 5 | 1 | 5 | 3.6 | O=S(=O)(Nc1cc(F)ccc1Cn1ccnn1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
162671079 | 182828 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.4 | O=C(NCCN=C=S)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
CHEMBL4791522 | 182828 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.4 | O=C(NCCN=C=S)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
155513751 | 169777 | 0 | None | -7 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 341 | 4 | 1 | 3 | 4.3 | Cc1ccc(N2C(=O)C(O)=C(C(=O)C(C)C)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
CHEMBL4439354 | 169777 | 0 | None | -7 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 341 | 4 | 1 | 3 | 4.3 | Cc1ccc(N2C(=O)C(O)=C(C(=O)C(C)C)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
44353447 | 3746 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | ||
785 | 3746 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | ||
CHEMBL337246 | 3746 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | ||
44353447 | 3746 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | ||
785 | 3746 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | ||
CHEMBL337246 | 3746 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | ||
44353447 | 3746 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/acs.jmedchem.6b01309 | ||
785 | 3746 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/acs.jmedchem.6b01309 | ||
CHEMBL337246 | 3746 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/acs.jmedchem.6b01309 | ||
155513751 | 169777 | 0 | None | -7 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 341 | 4 | 1 | 3 | 4.3 | Cc1ccc(N2C(=O)C(O)=C(C(=O)C(C)C)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
CHEMBL4439354 | 169777 | 0 | None | -7 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 341 | 4 | 1 | 3 | 4.3 | Cc1ccc(N2C(=O)C(O)=C(C(=O)C(C)C)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
89823537 | 126272 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 3.2 | CO[C@@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | ||
CHEMBL3650346 | 126272 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 3.2 | CO[C@@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | ||
89823606 | 126299 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 532 | 5 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccc2C#N)C1 | nan | ||
CHEMBL3650373 | 126299 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 532 | 5 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccc2C#N)C1 | nan | ||
89823656 | 126329 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 546 | 5 | 0 | 6 | 4.1 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(C#N)c(C(F)(F)F)c2)C1 | nan | ||
CHEMBL3650401 | 126329 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 546 | 5 | 0 | 6 | 4.1 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(C#N)c(C(F)(F)F)c2)C1 | nan | ||
44353447 | 3746 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | ||
785 | 3746 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | ||
CHEMBL337246 | 3746 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | ||
9967349 | 173041 | 0 | None | -1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 331 | 3 | 1 | 3 | 3.8 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
CHEMBL4519533 | 173041 | 0 | None | -1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 331 | 3 | 1 | 3 | 3.8 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
9967349 | 173041 | 0 | None | -1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 331 | 3 | 1 | 3 | 3.8 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
CHEMBL4519533 | 173041 | 0 | None | -1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 331 | 3 | 1 | 3 | 3.8 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
89823580 | 126311 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 507 | 5 | 1 | 5 | 4.1 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(Cl)c(Cl)c2)C1 | nan | ||
CHEMBL3650385 | 126311 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 507 | 5 | 1 | 5 | 4.1 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(Cl)c(Cl)c2)C1 | nan | ||
118734678 | 118676 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 576 | 6 | 1 | 3 | 7.7 | COc1cccc(-c2ccc3c(c2)CCC3N[C@@H]2CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C2)c1 | 10.1016/j.ejmech.2015.01.063 | ||
CHEMBL3417223 | 118676 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 576 | 6 | 1 | 3 | 7.7 | COc1cccc(-c2ccc3c(c2)CCC3N[C@@H]2CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C2)c1 | 10.1016/j.ejmech.2015.01.063 | ||
71214725 | 83948 | 0 | None | 15 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 416 | 5 | 1 | 5 | 4.1 | O=S(=O)(Nc1cc(Cl)ccc1Cn1cncn1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
CHEMBL2207083 | 83948 | 0 | None | 15 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 416 | 5 | 1 | 5 | 4.1 | O=S(=O)(Nc1cc(Cl)ccc1Cn1cncn1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
10257042 | 204338 | 0 | None | 12 | 7 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 551 | 6 | 3 | 3 | 7.3 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](CN2[C@H]3CC[C@@H]2C[C@@H](c2c[nH]c4ccc(O)cc24)C3)CC1 | 10.1016/s0960-894x(01)00397-3 | ||
CHEMBL71707 | 204338 | 0 | None | 12 | 7 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 551 | 6 | 3 | 3 | 7.3 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](CN2[C@H]3CC[C@@H]2C[C@@H](c2c[nH]c4ccc(O)cc24)C3)CC1 | 10.1016/s0960-894x(01)00397-3 | ||
162666730 | 182250 | 1 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
CHEMBL4783861 | 182250 | 1 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
53389641 | 175929 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 303 | 3 | 2 | 5 | 1.8 | CCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4588111 | 175929 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 303 | 3 | 2 | 5 | 1.8 | CCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
155520385 | 170426 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 299 | 3 | 2 | 5 | 1.6 | Nc1nc2[nH]c(C3CC3)c(Cc3ccc(F)cc3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4448714 | 170426 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 299 | 3 | 2 | 5 | 1.6 | Nc1nc2[nH]c(C3CC3)c(Cc3ccc(F)cc3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
155520385 | 170426 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 299 | 3 | 2 | 5 | 1.6 | Nc1nc2[nH]c(C3CC3)c(Cc3ccc(F)cc3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4448714 | 170426 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 299 | 3 | 2 | 5 | 1.6 | Nc1nc2[nH]c(C3CC3)c(Cc3ccc(F)cc3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
183790 | 3715 | 11 | None | -6 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
783 | 3715 | 11 | None | -6 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
CHEMBL1178786 | 3715 | 11 | None | -6 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
118734579 | 118665 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 596 | 4 | 1 | 2 | 6.7 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3cc(I)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
CHEMBL3417119 | 118665 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 596 | 4 | 1 | 2 | 6.7 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3cc(I)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
162658125 | 181072 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
CHEMBL4760108 | 181072 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
118734687 | 118685 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 578 | 5 | 1 | 3 | 6.8 | COc1cc2c(cc1Br)CCC2N[C@@H]1CC[C@@](C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)(C(C)C)C1 | 10.1016/j.ejmech.2015.01.063 | ||
CHEMBL3417232 | 118685 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 578 | 5 | 1 | 3 | 6.8 | COc1cc2c(cc1Br)CCC2N[C@@H]1CC[C@@](C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)(C(C)C)C1 | 10.1016/j.ejmech.2015.01.063 | ||
118734574 | 118659 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 485 | 4 | 2 | 3 | 5.6 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3c(N)cccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
CHEMBL3417113 | 118659 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 485 | 4 | 2 | 3 | 5.6 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3c(N)cccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
118734692 | 118691 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 562 | 4 | 1 | 2 | 7.4 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N[C@H]2C[C@H](C)c3cc(Br)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
CHEMBL3417238 | 118691 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 562 | 4 | 1 | 2 | 7.4 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N[C@H]2C[C@H](C)c3cc(Br)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
118734577 | 118662 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 488 | 4 | 1 | 2 | 6.2 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3cc(F)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
CHEMBL3417116 | 118662 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 488 | 4 | 1 | 2 | 6.2 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3cc(F)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
10257042 | 204338 | 0 | None | 12 | 7 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 551 | 6 | 3 | 3 | 7.3 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](CN2[C@H]3CC[C@@H]2C[C@@H](c2c[nH]c4ccc(O)cc24)C3)CC1 | 10.1016/s0960-894x(01)00397-3 | ||
CHEMBL71707 | 204338 | 0 | None | 12 | 7 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 551 | 6 | 3 | 3 | 7.3 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](CN2[C@H]3CC[C@@H]2C[C@@H](c2c[nH]c4ccc(O)cc24)C3)CC1 | 10.1016/s0960-894x(01)00397-3 | ||
11632418 | 75168 | 1 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 384 | 3 | 1 | 3 | 3.5 | CN1CCCC(CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
CHEMBL2036748 | 75168 | 1 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 384 | 3 | 1 | 3 | 3.5 | CN1CCCC(CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
118734681 | 118679 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 577 | 6 | 1 | 4 | 7.1 | COc1cncc(-c2ccc3c(c2)CCC3N[C@@H]2CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C2)c1 | 10.1016/j.ejmech.2015.01.063 | ||
CHEMBL3417226 | 118679 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 577 | 6 | 1 | 4 | 7.1 | COc1cncc(-c2ccc3c(c2)CCC3N[C@@H]2CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C2)c1 | 10.1016/j.ejmech.2015.01.063 | ||
176 | 397 | 66 | None | -3 | 31 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
2157 | 397 | 66 | None | -3 | 31 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
2566 | 397 | 66 | None | -3 | 31 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
CHEMBL633 | 397 | 66 | None | -3 | 31 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
DB01118 | 397 | 66 | None | -3 | 31 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
89823586 | 126298 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 509 | 5 | 1 | 7 | 2.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(C(F)(F)F)n2)C1 | nan | ||
CHEMBL3650372 | 126298 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 509 | 5 | 1 | 7 | 2.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(C(F)(F)F)n2)C1 | nan | ||
781 | 3371 | 80 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | ||
9953769 | 3371 | 80 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | ||
CHEMBL134074 | 3371 | 80 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | ||
89823444 | 126300 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 523 | 6 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(OC(F)(F)F)c2)C1 | nan | ||
CHEMBL3650374 | 126300 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 523 | 6 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(OC(F)(F)F)c2)C1 | nan | ||
3013430 | 21099 | 1 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 480 | 6 | 1 | 3 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCC3)cc1 | 10.1021/jm030862l | ||
CHEMBL131243 | 21099 | 1 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 480 | 6 | 1 | 3 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCC3)cc1 | 10.1021/jm030862l | ||
118734671 | 118673 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 530 | 6 | 1 | 4 | 6.1 | COc1ccc(OC)c2c1CCC2N[C@@H]1CC[C@@](C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)(C(C)C)C1 | 10.1016/j.ejmech.2015.01.063 | ||
CHEMBL3417216 | 118673 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 530 | 6 | 1 | 4 | 6.1 | COc1ccc(OC)c2c1CCC2N[C@@H]1CC[C@@](C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)(C(C)C)C1 | 10.1016/j.ejmech.2015.01.063 | ||
89823344 | 126324 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 589 | 5 | 0 | 5 | 5.2 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccc2C(F)(F)F)C1 | nan | ||
CHEMBL3650397 | 126324 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 589 | 5 | 0 | 5 | 5.2 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccc2C(F)(F)F)C1 | nan | ||
155534565 | 171947 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 281 | 3 | 2 | 5 | 1.5 | Nc1nc2[nH]c(C3CC3)c(Cc3ccccc3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4470785 | 171947 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 281 | 3 | 2 | 5 | 1.5 | Nc1nc2[nH]c(C3CC3)c(Cc3ccccc3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
155529754 | 171437 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 349 | 3 | 2 | 5 | 2.5 | Nc1nc2[nH]c(C3CC3)c(Cc3cccc(C(F)(F)F)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4463383 | 171437 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 349 | 3 | 2 | 5 | 2.5 | Nc1nc2[nH]c(C3CC3)c(Cc3cccc(C(F)(F)F)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
10111333 | 175443 | 0 | None | 1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 395 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
CHEMBL4577133 | 175443 | 0 | None | 1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 395 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
155529754 | 171437 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 349 | 3 | 2 | 5 | 2.5 | Nc1nc2[nH]c(C3CC3)c(Cc3cccc(C(F)(F)F)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4463383 | 171437 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 349 | 3 | 2 | 5 | 2.5 | Nc1nc2[nH]c(C3CC3)c(Cc3cccc(C(F)(F)F)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
155534565 | 171947 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 281 | 3 | 2 | 5 | 1.5 | Nc1nc2[nH]c(C3CC3)c(Cc3ccccc3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4470785 | 171947 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 281 | 3 | 2 | 5 | 1.5 | Nc1nc2[nH]c(C3CC3)c(Cc3ccccc3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
10436045 | 3490 | 4 | None | -85 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
782 | 3490 | 4 | None | -85 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
CHEMBL432713 | 3490 | 4 | None | -85 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
44573568 | 187446 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 512 | 6 | 2 | 2 | 6.8 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCc3ccccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
CHEMBL494019 | 187446 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 512 | 6 | 2 | 2 | 6.8 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCc3ccccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
10436045 | 3490 | 4 | None | -85 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2006.04.045 | ||
782 | 3490 | 4 | None | -85 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2006.04.045 | ||
CHEMBL432713 | 3490 | 4 | None | -85 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2006.04.045 | ||
10436045 | 3490 | 4 | None | -85 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1016/s0960-894x(01)00397-3 | ||
782 | 3490 | 4 | None | -85 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1016/s0960-894x(01)00397-3 | ||
CHEMBL432713 | 3490 | 4 | None | -85 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1016/s0960-894x(01)00397-3 | ||
71457815 | 83956 | 0 | None | 19 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 416 | 5 | 1 | 5 | 3.8 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.09.020 | ||
CHEMBL2207091 | 83956 | 0 | None | 19 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 416 | 5 | 1 | 5 | 3.8 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.09.020 | ||
71452488 | 83958 | 0 | None | 19 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 388 | 5 | 1 | 6 | 3.5 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccc(Cl)s1 | 10.1016/j.bmcl.2012.09.020 | ||
CHEMBL2207093 | 83958 | 0 | None | 19 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 388 | 5 | 1 | 6 | 3.5 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccc(Cl)s1 | 10.1016/j.bmcl.2012.09.020 | ||
10436045 | 3490 | 4 | None | -85 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
782 | 3490 | 4 | None | -85 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
CHEMBL432713 | 3490 | 4 | None | -85 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
10436045 | 3490 | 4 | None | -85 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1016/s0960-894x(01)00397-3 | ||
782 | 3490 | 4 | None | -85 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1016/s0960-894x(01)00397-3 | ||
CHEMBL432713 | 3490 | 4 | None | -85 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1016/s0960-894x(01)00397-3 | ||
15985981 | 83944 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 443 | 5 | 1 | 4 | 5.0 | Cc1cc(C)n(Cc2ccc(C(F)(F)F)cc2NS(=O)(=O)c2ccc(Cl)cc2)n1 | 10.1016/j.bmcl.2012.09.020 | ||
CHEMBL2207079 | 83944 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 443 | 5 | 1 | 4 | 5.0 | Cc1cc(C)n(Cc2ccc(C(F)(F)F)cc2NS(=O)(=O)c2ccc(Cl)cc2)n1 | 10.1016/j.bmcl.2012.09.020 | ||
71454246 | 83954 | 0 | None | 1 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 376 | 5 | 1 | 5 | 3.4 | Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cn2ccnn2)cc1C | 10.1016/j.bmcl.2012.09.020 | ||
CHEMBL2207089 | 83954 | 0 | None | 1 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 376 | 5 | 1 | 5 | 3.4 | Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cn2ccnn2)cc1C | 10.1016/j.bmcl.2012.09.020 | ||
155522058 | 170620 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 379 | 5 | 2 | 5 | 3.0 | Nc1nc2[nH]c(CCc3ccccc3)c(Cc3cccc(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4451290 | 170620 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 379 | 5 | 2 | 5 | 3.0 | Nc1nc2[nH]c(CCc3ccccc3)c(Cc3cccc(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
155522058 | 170620 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 379 | 5 | 2 | 5 | 3.0 | Nc1nc2[nH]c(CCc3ccccc3)c(Cc3cccc(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4451290 | 170620 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 379 | 5 | 2 | 5 | 3.0 | Nc1nc2[nH]c(CCc3ccccc3)c(Cc3cccc(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
781 | 3371 | 80 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | ||
9953769 | 3371 | 80 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | ||
CHEMBL134074 | 3371 | 80 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | ||
118734675 | 118674 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 571 | 5 | 1 | 3 | 7.6 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3cc(-c4cccc(C#N)c4)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
CHEMBL3417220 | 118674 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 571 | 5 | 1 | 3 | 7.6 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3cc(-c4cccc(C#N)c4)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
89823462 | 126332 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 463 | 4 | 1 | 6 | 2.5 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)C1 | nan | ||
CHEMBL3650404 | 126332 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 463 | 4 | 1 | 6 | 2.5 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)C1 | nan | ||
10436045 | 3490 | 4 | None | -85 | 13 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
782 | 3490 | 4 | None | -85 | 13 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
CHEMBL432713 | 3490 | 4 | None | -85 | 13 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
22335665 | 173443 | 0 | None | -1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 331 | 3 | 1 | 3 | 3.8 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)c(F)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
CHEMBL4529804 | 173443 | 0 | None | -1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 331 | 3 | 1 | 3 | 3.8 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)c(F)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
22335665 | 173443 | 0 | None | -1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 331 | 3 | 1 | 3 | 3.8 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)c(F)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
CHEMBL4529804 | 173443 | 0 | None | -1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 331 | 3 | 1 | 3 | 3.8 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)c(F)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
781 | 3371 | 80 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | ||
9953769 | 3371 | 80 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | ||
CHEMBL134074 | 3371 | 80 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | ||
3013430 | 21099 | 1 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 480 | 6 | 1 | 3 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCC3)cc1 | 10.1021/jm030862l | ||
CHEMBL131243 | 21099 | 1 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 480 | 6 | 1 | 3 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCC3)cc1 | 10.1021/jm030862l | ||
89823427 | 126284 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 509 | 5 | 1 | 7 | 2.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ncn2)C1 | nan | ||
CHEMBL3650358 | 126284 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 509 | 5 | 1 | 7 | 2.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ncn2)C1 | nan | ||
162658125 | 181072 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
CHEMBL4760108 | 181072 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
10111333 | 175443 | 0 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 395 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
CHEMBL4577133 | 175443 | 0 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 395 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
89823620 | 126337 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 506 | 5 | 1 | 5 | 4.2 | CC[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | ||
CHEMBL3650409 | 126337 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 506 | 5 | 1 | 5 | 4.2 | CC[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | ||
162658125 | 181072 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
CHEMBL4760108 | 181072 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
162658125 | 181072 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
CHEMBL4760108 | 181072 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
162658125 | 181072 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
CHEMBL4760108 | 181072 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
155531561 | 171626 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 359 | 6 | 2 | 5 | 3.2 | CCC(CC)Cc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4466027 | 171626 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 359 | 6 | 2 | 5 | 3.2 | CCC(CC)Cc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
155531561 | 171626 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 359 | 6 | 2 | 5 | 3.2 | CCC(CC)Cc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4466027 | 171626 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 359 | 6 | 2 | 5 | 3.2 | CCC(CC)Cc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
183790 | 3715 | 11 | None | -6 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
783 | 3715 | 11 | None | -6 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
CHEMBL1178786 | 3715 | 11 | None | -6 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
89823439 | 126273 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 3.2 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | ||
CHEMBL3650347 | 126273 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 3.2 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | ||
183790 | 3715 | 11 | None | -6 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/acs.jmedchem.6b01309 | ||
783 | 3715 | 11 | None | -6 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/acs.jmedchem.6b01309 | ||
CHEMBL1178786 | 3715 | 11 | None | -6 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/acs.jmedchem.6b01309 | ||
71456008 | 83960 | 0 | None | 25 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 404 | 5 | 1 | 6 | 4.0 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1csc2ccccc12 | 10.1016/j.bmcl.2012.09.020 | ||
CHEMBL2207095 | 83960 | 0 | None | 25 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 404 | 5 | 1 | 6 | 4.0 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1csc2ccccc12 | 10.1016/j.bmcl.2012.09.020 | ||
162672927 | 183159 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 733 | 11 | 3 | 7 | 6.4 | O=C(NCCNC(=O)c1ccc(S(=O)(=O)F)cc1)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
CHEMBL4795646 | 183159 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 733 | 11 | 3 | 7 | 6.4 | O=C(NCCNC(=O)c1ccc(S(=O)(=O)F)cc1)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
44309012 | 102796 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 525 | 9 | 3 | 3 | 6.9 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1[C@H]2CC[C@@H]1CC(c1c[nH]c3ccc(O)cc13)C2 | 10.1016/s0960-894x(01)00397-3 | ||
CHEMBL305470 | 102796 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 525 | 9 | 3 | 3 | 6.9 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1[C@H]2CC[C@@H]1CC(c1c[nH]c3ccc(O)cc13)C2 | 10.1016/s0960-894x(01)00397-3 | ||
44309012 | 102796 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 525 | 9 | 3 | 3 | 6.9 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1[C@H]2CC[C@@H]1CC(c1c[nH]c3ccc(O)cc13)C2 | 10.1016/s0960-894x(01)00397-3 | ||
CHEMBL305470 | 102796 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 525 | 9 | 3 | 3 | 6.9 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1[C@H]2CC[C@@H]1CC(c1c[nH]c3ccc(O)cc13)C2 | 10.1016/s0960-894x(01)00397-3 | ||
781 | 3371 | 80 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | ||
9953769 | 3371 | 80 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | ||
CHEMBL134074 | 3371 | 80 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | ||
9967166 | 169949 | 11 | None | 2 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 327 | 4 | 1 | 3 | 3.9 | CCc1ccc(N2C(=O)C(O)=C(C(C)=O)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
CHEMBL4441958 | 169949 | 11 | None | 2 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 327 | 4 | 1 | 3 | 3.9 | CCc1ccc(N2C(=O)C(O)=C(C(C)=O)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
118723408 | 116297 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 517 | 7 | 2 | 4 | 4.8 | COc1cccc(C2CCC(N3CCC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)CC3)CC2)c1 | 10.1016/j.bmcl.2014.10.060 | ||
CHEMBL3359297 | 116297 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 517 | 7 | 2 | 4 | 4.8 | COc1cccc(C2CCC(N3CCC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)CC3)CC2)c1 | 10.1016/j.bmcl.2014.10.060 | ||
9967166 | 169949 | 11 | None | 2 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 327 | 4 | 1 | 3 | 3.9 | CCc1ccc(N2C(=O)C(O)=C(C(C)=O)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
CHEMBL4441958 | 169949 | 11 | None | 2 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 327 | 4 | 1 | 3 | 3.9 | CCc1ccc(N2C(=O)C(O)=C(C(C)=O)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
155559153 | 174757 | 0 | None | -2 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 457 | 4 | 1 | 3 | 5.6 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1)c1ccccc1 | 10.1021/acs.jmedchem.8b00605 | ||
CHEMBL4561618 | 174757 | 0 | None | -2 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 457 | 4 | 1 | 3 | 5.6 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1)c1ccccc1 | 10.1021/acs.jmedchem.8b00605 | ||
89823506 | 126310 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 532 | 5 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(C#N)c(C(F)(F)F)c2)C1 | nan | ||
CHEMBL3650384 | 126310 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 532 | 5 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(C#N)c(C(F)(F)F)c2)C1 | nan | ||
155559153 | 174757 | 0 | None | -2 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 457 | 4 | 1 | 3 | 5.6 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1)c1ccccc1 | 10.1021/acs.jmedchem.8b00605 | ||
CHEMBL4561618 | 174757 | 0 | None | -2 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 457 | 4 | 1 | 3 | 5.6 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1)c1ccccc1 | 10.1021/acs.jmedchem.8b00605 | ||
44353447 | 3746 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | ||
785 | 3746 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | ||
CHEMBL337246 | 3746 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | ||
89823342 | 126333 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 492 | 4 | 1 | 5 | 3.9 | C[C@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | ||
CHEMBL3650405 | 126333 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 492 | 4 | 1 | 5 | 3.9 | C[C@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | ||
3013430 | 21099 | 1 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 480 | 6 | 1 | 3 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCC3)cc1 | 10.1021/jm030862l | ||
CHEMBL131243 | 21099 | 1 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 480 | 6 | 1 | 3 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCC3)cc1 | 10.1021/jm030862l | ||
155553573 | 174153 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 345 | 6 | 2 | 5 | 3.0 | CCCCCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4547381 | 174153 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 345 | 6 | 2 | 5 | 3.0 | CCCCCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
155553573 | 174153 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 345 | 6 | 2 | 5 | 3.0 | CCCCCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
CHEMBL4547381 | 174153 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 345 | 6 | 2 | 5 | 3.0 | CCCCCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
118734583 | 118669 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 504 | 4 | 1 | 2 | 6.7 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3ccc(Cl)cc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
CHEMBL3417123 | 118669 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 504 | 4 | 1 | 2 | 6.7 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3ccc(Cl)cc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
CHEMBL11359 | 9748 | 0 | None | -2 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | None | None | None | None | nan | ||||
44353447 | 3746 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | ||
785 | 3746 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | ||
CHEMBL337246 | 3746 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | ||
10436045 | 3490 | 4 | None | -85 | 13 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
782 | 3490 | 4 | None | -85 | 13 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
CHEMBL432713 | 3490 | 4 | None | -85 | 13 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
118723021 | 116241 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 487 | 6 | 2 | 3 | 4.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CCN(C2CCC(c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2014.10.060 | ||
CHEMBL3358698 | 116241 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 487 | 6 | 2 | 3 | 4.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CCN(C2CCC(c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2014.10.060 | ||
118734679 | 118677 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 576 | 6 | 1 | 3 | 7.7 | COc1ccc(-c2ccc3c(c2)CCC3N[C@@H]2CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C2)cc1 | 10.1016/j.ejmech.2015.01.063 | ||
CHEMBL3417224 | 118677 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 576 | 6 | 1 | 3 | 7.7 | COc1ccc(-c2ccc3c(c2)CCC3N[C@@H]2CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C2)cc1 | 10.1016/j.ejmech.2015.01.063 | ||
3013430 | 21099 | 1 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 480 | 6 | 1 | 3 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCC3)cc1 | 10.1021/jm030862l | ||
CHEMBL131243 | 21099 | 1 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 480 | 6 | 1 | 3 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCC3)cc1 | 10.1021/jm030862l | ||
89823417 | 126319 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 498 | 5 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(Cl)c(C#N)c2)C1 | nan | ||
CHEMBL3650392 | 126319 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 498 | 5 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(Cl)c(C#N)c2)C1 | nan | ||
44353447 | 3746 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | ||
785 | 3746 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | ||
CHEMBL337246 | 3746 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | ||
89823348 | 126322 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 575 | 5 | 1 | 5 | 4.9 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccc2C(F)(F)F)C1 | nan | ||
CHEMBL3650395 | 126322 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 575 | 5 | 1 | 5 | 4.9 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccc2C(F)(F)F)C1 | nan | ||
25110660 | 154848 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 525 | 6 | 3 | 3 | 6.7 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](CN2CCC(c3c[nH]c4ccc(O)cc34)CC2)CC1 | 10.1016/s0960-894x(01)00397-3 | ||
CHEMBL400698 | 154848 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 525 | 6 | 3 | 3 | 6.7 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](CN2CCC(c3c[nH]c4ccc(O)cc34)CC2)CC1 | 10.1016/s0960-894x(01)00397-3 | ||
9857981 | 170763 | 11 | None | -1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 313 | 3 | 1 | 3 | 3.7 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
CHEMBL4453024 | 170763 | 11 | None | -1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 313 | 3 | 1 | 3 | 3.7 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
25110660 | 154848 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 525 | 6 | 3 | 3 | 6.7 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](CN2CCC(c3c[nH]c4ccc(O)cc34)CC2)CC1 | 10.1016/s0960-894x(01)00397-3 | ||
CHEMBL400698 | 154848 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 525 | 6 | 3 | 3 | 6.7 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](CN2CCC(c3c[nH]c4ccc(O)cc34)CC2)CC1 | 10.1016/s0960-894x(01)00397-3 | ||
89823541 | 126297 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 3.2 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(C(F)(F)F)c2)C1 | nan | ||
CHEMBL3650371 | 126297 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 3.2 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(C(F)(F)F)c2)C1 | nan | ||
89823450 | 126320 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 562 | 4 | 0 | 4 | 6.2 | N#Cc1ccc(C(F)(F)F)cc1N1C[C@@H]2C[C@H]1CN2C(=O)[C@@]12CCC[C@@H]1C[C@@H](N1CCC(c3ccccc3)CC1)C2 | nan | ||
CHEMBL3650393 | 126320 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 562 | 4 | 0 | 4 | 6.2 | N#Cc1ccc(C(F)(F)F)cc1N1C[C@@H]2C[C@H]1CN2C(=O)[C@@]12CCC[C@@H]1C[C@@H](N1CCC(c3ccccc3)CC1)C2 | nan | ||
22725647 | 173675 | 0 | None | 3 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 347 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)c(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
CHEMBL4535696 | 173675 | 0 | None | 3 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 347 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)c(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
9857981 | 170763 | 11 | None | -1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 313 | 3 | 1 | 3 | 3.7 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
CHEMBL4453024 | 170763 | 11 | None | -1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 313 | 3 | 1 | 3 | 3.7 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
118734689 | 118687 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 606 | 6 | 1 | 3 | 7.8 | CCC1CC(N[C@@H]2CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C2)c2cc(OC)c(Br)cc21 | 10.1016/j.ejmech.2015.01.063 | ||
CHEMBL3417234 | 118687 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 606 | 6 | 1 | 3 | 7.8 | CCC1CC(N[C@@H]2CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C2)c2cc(OC)c(Br)cc21 | 10.1016/j.ejmech.2015.01.063 | ||
89823428 | 126301 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 514 | 5 | 1 | 7 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2nc(C(F)(F)F)cs2)C1 | nan | ||
CHEMBL3650375 | 126301 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 514 | 5 | 1 | 7 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2nc(C(F)(F)F)cs2)C1 | nan | ||
4485 | 69350 | 118 | None | -1 | 8 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 346 | 4 | 1 | 7 | 2.2 | COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-] | nan | ||
CHEMBL193 | 69350 | 118 | None | -1 | 8 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 346 | 4 | 1 | 7 | 2.2 | COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-] | nan | ||
781 | 3371 | 80 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | ||
9953769 | 3371 | 80 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | ||
CHEMBL134074 | 3371 | 80 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | ||
162672927 | 183159 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 733 | 11 | 3 | 7 | 6.4 | O=C(NCCNC(=O)c1ccc(S(=O)(=O)F)cc1)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
CHEMBL4795646 | 183159 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 733 | 11 | 3 | 7 | 6.4 | O=C(NCCNC(=O)c1ccc(S(=O)(=O)F)cc1)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
22725647 | 173675 | 0 | None | 3 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 347 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)c(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
CHEMBL4535696 | 173675 | 0 | None | 3 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 347 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)c(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
183790 | 3715 | 11 | None | -6 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
783 | 3715 | 11 | None | -6 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
CHEMBL1178786 | 3715 | 11 | None | -6 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
118723412 | 116299 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 531 | 6 | 2 | 5 | 4.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CCN(C2CCC(c3ccc4c(c3)OCO4)CC2)CC1 | 10.1016/j.bmcl.2014.10.060 | ||
CHEMBL3359301 | 116299 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 531 | 6 | 2 | 5 | 4.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CCN(C2CCC(c3ccc4c(c3)OCO4)CC2)CC1 | 10.1016/j.bmcl.2014.10.060 | ||
10133557 | 172515 | 0 | None | 1 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 367 | 3 | 1 | 3 | 4.4 | CC(=O)C1=C(O)C(=O)N(c2ccc(C(F)(F)F)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
CHEMBL4483771 | 172515 | 0 | None | 1 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 367 | 3 | 1 | 3 | 4.4 | CC(=O)C1=C(O)C(=O)N(c2ccc(C(F)(F)F)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
10133557 | 172515 | 0 | None | 1 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 367 | 3 | 1 | 3 | 4.4 | CC(=O)C1=C(O)C(=O)N(c2ccc(C(F)(F)F)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
CHEMBL4483771 | 172515 | 0 | None | 1 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 367 | 3 | 1 | 3 | 4.4 | CC(=O)C1=C(O)C(=O)N(c2ccc(C(F)(F)F)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
8447 | 188925 | 84 | None | -12 | 13 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 332 | 3 | 0 | 6 | 5.7 | c1ccc2sc(SSc3nc4ccccc4s3)nc2c1 | nan | ||
CHEMBL508112 | 188925 | 84 | None | -12 | 13 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 332 | 3 | 0 | 6 | 5.7 | c1ccc2sc(SSc3nc4ccccc4s3)nc2c1 | nan | ||
9945265 | 171159 | 0 | None | -1 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 327 | 3 | 1 | 3 | 4.1 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
CHEMBL4459033 | 171159 | 0 | None | -1 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 327 | 3 | 1 | 3 | 4.1 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
3117 | 207818 | 103 | None | -2 | 16 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 296 | 4 | 0 | 4 | 3.6 | CCN(CC)C(=S)SSC(=S)N(CC)CC | nan | ||
CHEMBL964 | 207818 | 103 | None | -2 | 16 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 296 | 4 | 0 | 4 | 3.6 | CCN(CC)C(=S)SSC(=S)N(CC)CC | nan | ||
9945265 | 171159 | 0 | None | -1 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 327 | 3 | 1 | 3 | 4.1 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
CHEMBL4459033 | 171159 | 0 | None | -1 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 327 | 3 | 1 | 3 | 4.1 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
46208367 | 83552 | 13 | None | - | 1 | Mouse | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 482 | 6 | 3 | 6 | 2.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3cncs3)CC2)C1 | 10.1021/ml300260s | ||
CHEMBL2204263 | 83552 | 13 | None | - | 1 | Mouse | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 482 | 6 | 3 | 6 | 2.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3cncs3)CC2)C1 | 10.1021/ml300260s | ||
12093170 | 869 | 31 | None | - | 1 | Human | 5.3 | pIC50 | < | 5.3 | Binding | Guide to Pharmacology | 351 | 3 | 1 | 3 | 4.2 | Clc1ccc(c(c1)F)N1[C@H](C2CCCCC2)C(=C(C1=O)O)C(=O)C | None | ||
9431 | 869 | 31 | None | - | 1 | Human | 5.3 | pIC50 | < | 5.3 | Binding | Guide to Pharmacology | 351 | 3 | 1 | 3 | 4.2 | Clc1ccc(c(c1)F)N1[C@H](C2CCCCC2)C(=C(C1=O)O)C(=O)C | None | ||
CHEMBL4519152 | 869 | 31 | None | - | 1 | Human | 5.3 | pIC50 | < | 5.3 | Binding | Guide to Pharmacology | 351 | 3 | 1 | 3 | 4.2 | Clc1ccc(c(c1)F)N1[C@H](C2CCCCC2)C(=C(C1=O)O)C(=O)C | None | ||
4410 | 3115 | 106 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Binding | Drug Central | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | None | ||
65015 | 3115 | 106 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Binding | Drug Central | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | None | ||
844 | 3115 | 106 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Binding | Drug Central | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | None | ||
CHEMBL18442 | 3115 | 106 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Binding | Drug Central | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | None | ||
DB06809 | 3115 | 106 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Binding | Drug Central | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | None | ||
11598 | 670 | 9 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Binding | Guide to Pharmacology | 506 | 6 | 2 | 6 | 3.4 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 30891130 | ||
23725177 | 670 | 9 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Binding | Guide to Pharmacology | 506 | 6 | 2 | 6 | 3.4 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 30891130 | ||
CHEMBL4442783 | 670 | 9 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Binding | Guide to Pharmacology | 506 | 6 | 2 | 6 | 3.4 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 30891130 | ||
10586 | 2126 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | Guide to Pharmacology | 379 | 5 | 1 | 6 | 4.3 | CC[C@@H](n1c(=S)[nH]c(c1C(=O)OC)c1ccno1)c1ccc(c(c1)F)F | 18599682 | ||
11617815 | 2126 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | Guide to Pharmacology | 379 | 5 | 1 | 6 | 4.3 | CC[C@@H](n1c(=S)[nH]c(c1C(=O)OC)c1ccno1)c1ccc(c(c1)F)F | 18599682 | ||
CHEMBL5290248 | 2126 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | Guide to Pharmacology | 379 | 5 | 1 | 6 | 4.3 | CC[C@@H](n1c(=S)[nH]c(c1C(=O)OC)c1ccno1)c1ccc(c(c1)F)F | 18599682 | ||
46198579 | 3040 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | Guide to Pharmacology | 511 | 6 | 1 | 7 | 2.9 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1C[C@@H]2C[C@H]1CN2c1ncnc(c1)C(F)(F)F | None | ||
9979 | 3040 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | Guide to Pharmacology | 511 | 6 | 1 | 7 | 2.9 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1C[C@@H]2C[C@H]1CN2c1ncnc(c1)C(F)(F)F | None | ||
DB14955 | 3040 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | Guide to Pharmacology | 511 | 6 | 1 | 7 | 2.9 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1C[C@@H]2C[C@H]1CN2c1ncnc(c1)C(F)(F)F | None | ||
176 | 397 | 66 | None | -3 | 31 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | ||
2157 | 397 | 66 | None | -3 | 31 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | ||
2566 | 397 | 66 | None | -3 | 31 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | ||
CHEMBL633 | 397 | 66 | None | -3 | 31 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | ||
DB01118 | 397 | 66 | None | -3 | 31 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | ||
3117 | 207818 | 103 | None | -2 | 16 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 296 | 4 | 0 | 4 | 3.6 | CCN(CC)C(=S)SSC(=S)N(CC)CC | None | ||
CHEMBL964 | 207818 | 103 | None | -2 | 16 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 296 | 4 | 0 | 4 | 3.6 | CCN(CC)C(=S)SSC(=S)N(CC)CC | None | ||
4485 | 69350 | 118 | None | -1 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 346 | 4 | 1 | 7 | 2.2 | COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-] | None | ||
CHEMBL193 | 69350 | 118 | None | -1 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 346 | 4 | 1 | 7 | 2.2 | COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-] | None | ||
10585 | 1074 | 1 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 31742400 | ||
145996522 | 1074 | 1 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 31742400 | ||
CHEMBL4531005 | 1074 | 1 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 31742400 | ||
11560568 | 1873 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 409 | 6 | 4 | 6 | 1.7 | OCC(CNc1cccc(c1)C1=C(C(=O)NC1=O)c1cn(c2c1cc(F)cc2)C)O | None | ||
3502 | 1873 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 409 | 6 | 4 | 6 | 1.7 | OCC(CNc1cccc(c1)C1=C(C(=O)NC1=O)c1cn(c2c1cc(F)cc2)C)O | None | ||
CHEMBL1082152 | 1873 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 409 | 6 | 4 | 6 | 1.7 | OCC(CNc1cccc(c1)C1=C(C(=O)NC1=O)c1cn(c2c1cc(F)cc2)C)O | None | ||
44353447 | 3746 | 0 | None | - | 1 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 12954060 | ||
785 | 3746 | 0 | None | - | 1 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 12954060 | ||
CHEMBL337246 | 3746 | 0 | None | - | 1 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 12954060 | ||
781 | 3371 | 80 | None | - | 1 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 12954060 | ||
9953769 | 3371 | 80 | None | - | 1 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 12954060 | ||
CHEMBL134074 | 3371 | 80 | None | - | 1 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 12954060 | ||
10436045 | 3490 | 4 | None | -85 | 13 | Human | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 12954060 | ||
782 | 3490 | 4 | None | -85 | 13 | Human | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 12954060 | ||
CHEMBL432713 | 3490 | 4 | None | -85 | 13 | Human | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 12954060 | ||
183790 | 3715 | 11 | None | -6 | 2 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 12954060 | ||
783 | 3715 | 11 | None | -6 | 2 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 12954060 | ||
CHEMBL1178786 | 3715 | 11 | None | -6 | 2 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 12954060 | ||
183790 | 3715 | 11 | None | -6 | 2 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10318947 | ||
183790 | 3715 | 11 | None | -6 | 2 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 12954060 | ||
783 | 3715 | 11 | None | -6 | 2 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10318947 | ||
783 | 3715 | 11 | None | -6 | 2 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 12954060 | ||
CHEMBL1178786 | 3715 | 11 | None | -6 | 2 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10318947 | ||
CHEMBL1178786 | 3715 | 11 | None | -6 | 2 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 12954060 |