Ligand source activities (1 row/activity)
Ligands (move mouse cursor over ligand name to see structure) | Receptor | Assay information | Chemical information | ||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sel. page | Common name |
GPCRdb ID |
#Vendors |
Reference ligand |
Fold selectivity |
# Tested GPCRs |
Species |
p-value (-log) |
Activity Type |
Activity Relation |
Activity Value |
AssayType |
Assay Description |
Source |
Mol weight |
Rot Bonds |
H don |
H acc |
LogP |
Smiles |
DOI |
44263999 | 205091 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 558 | 15 | 5 | 6 | 3.3 | COc1ccc(NC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)NC(Cc2ccccc2)C(=O)O)cc1 | 10.1021/jm950908d | ||
CHEMBL7753 | 205091 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 558 | 15 | 5 | 6 | 3.3 | COc1ccc(NC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)NC(Cc2ccccc2)C(=O)O)cc1 | 10.1021/jm950908d | ||
CHEMBL267388 | 210718 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)Nc1ccc(Cl)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1021/jm950908d | ||||
1022 | 1669 | 55 | None | 4897 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm900592h | ||||
443295 | 1669 | 55 | None | 4897 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm900592h | ||||
CHEMBL267179 | 1669 | 55 | None | 4897 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm900592h | ||||
145952664 | 162433 | 0 | None | -1 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 500 | 9 | 3 | 4 | 4.6 | COc1ccc(NC(=O)N[C@@H](Cc2ccc(C#N)cc2)C(=O)NCC2(c3ccc(C)c(F)c3)CC2)cc1 | 10.1016/j.ejmech.2017.09.023 | ||
CHEMBL4166385 | 162433 | 0 | None | -1 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 500 | 9 | 3 | 4 | 4.6 | COc1ccc(NC(=O)N[C@@H](Cc2ccc(C#N)cc2)C(=O)NCC2(c3ccc(C)c(F)c3)CC2)cc1 | 10.1016/j.ejmech.2017.09.023 | ||
71698968 | 90677 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 445 | 5 | 1 | 4 | 4.2 | Cc1cc(Cc2cccc(Cl)c2)c(=O)n(CC(=O)Nc2ccc(Br)cc2)n1 | 10.1016/j.ejmech.2013.03.066 | ||
CHEMBL2391281 | 90677 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 445 | 5 | 1 | 4 | 4.2 | Cc1cc(Cc2cccc(Cl)c2)c(=O)n(CC(=O)Nc2ccc(Br)cc2)n1 | 10.1016/j.ejmech.2013.03.066 | ||
44232677 | 196346 | 0 | None | 1 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 408 | 7 | 1 | 7 | 2.7 | COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc([N+](=O)[O-])cc3)c2=O)c1 | 10.1021/jm900592h | ||
CHEMBL562456 | 196346 | 0 | None | 1 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 408 | 7 | 1 | 7 | 2.7 | COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc([N+](=O)[O-])cc3)c2=O)c1 | 10.1021/jm900592h | ||
71698530 | 90672 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 509 | 7 | 1 | 5 | 5.3 | COc1cccc(Cc2cc(C3CCCCC3)nn(CC(=O)Nc3ccc(Br)cc3)c2=O)c1 | 10.1016/j.ejmech.2013.03.066 | ||
CHEMBL2391257 | 90672 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 509 | 7 | 1 | 5 | 5.3 | COc1cccc(Cc2cc(C3CCCCC3)nn(CC(=O)Nc3ccc(Br)cc3)c2=O)c1 | 10.1016/j.ejmech.2013.03.066 | ||
44233646 | 196423 | 0 | None | 1 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 393 | 7 | 1 | 6 | 2.8 | COc1ccc(NC(=O)Cn2nc(C)cc(Cc3cccc(OC)c3)c2=O)cc1 | 10.1021/jm900592h | ||
CHEMBL562910 | 196423 | 0 | None | 1 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 393 | 7 | 1 | 6 | 2.8 | COc1ccc(NC(=O)Cn2nc(C)cc(Cc3cccc(OC)c3)c2=O)cc1 | 10.1021/jm900592h | ||
44233646 | 196423 | 0 | None | 1 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 393 | 7 | 1 | 6 | 2.8 | COc1ccc(NC(=O)Cn2nc(C)cc(Cc3cccc(OC)c3)c2=O)cc1 | 10.1021/jm900592h | ||
CHEMBL562910 | 196423 | 0 | None | 1 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 393 | 7 | 1 | 6 | 2.8 | COc1ccc(NC(=O)Cn2nc(C)cc(Cc3cccc(OC)c3)c2=O)cc1 | 10.1021/jm900592h | ||
164916035 | 192350 | 3 | None | -16 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 446 | 5 | 2 | 3 | 4.2 | N#Cc1ccc(C[C@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2CCc3ccc(F)cc32)cc1 | 10.1021/acs.jmedchem.1c02203 | ||
CHEMBL5207056 | 192350 | 3 | None | -16 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 446 | 5 | 2 | 3 | 4.2 | N#Cc1ccc(C[C@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2CCc3ccc(F)cc32)cc1 | 10.1021/acs.jmedchem.1c02203 | ||
71698446 | 90709 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 427 | 5 | 1 | 5 | 3.6 | COc1ccc(-c2cc(C)nn(CC(=O)Nc3ccc(Br)cc3)c2=O)cc1 | 10.1016/j.ejmech.2013.03.066 | ||
CHEMBL2391452 | 90709 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 427 | 5 | 1 | 5 | 3.6 | COc1ccc(-c2cc(C)nn(CC(=O)Nc3ccc(Br)cc3)c2=O)cc1 | 10.1016/j.ejmech.2013.03.066 | ||
44232924 | 195323 | 0 | None | -1 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 455 | 7 | 1 | 5 | 3.9 | COc1cccc(Cc2cc(C)nn(CCC(=O)Nc3ccc(Br)cc3)c2=O)c1 | 10.1021/jm900592h | ||
CHEMBL551590 | 195323 | 0 | None | -1 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 455 | 7 | 1 | 5 | 3.9 | COc1cccc(Cc2cc(C)nn(CCC(=O)Nc3ccc(Br)cc3)c2=O)c1 | 10.1021/jm900592h | ||
44232924 | 195323 | 0 | None | -1 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 455 | 7 | 1 | 5 | 3.9 | COc1cccc(Cc2cc(C)nn(CCC(=O)Nc3ccc(Br)cc3)c2=O)c1 | 10.1021/jm900592h | ||
CHEMBL551590 | 195323 | 0 | None | -1 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 455 | 7 | 1 | 5 | 3.9 | COc1cccc(Cc2cc(C)nn(CCC(=O)Nc3ccc(Br)cc3)c2=O)c1 | 10.1021/jm900592h | ||
122487974 | 170414 | 0 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 497 | 9 | 1 | 5 | 5.3 | CCCCC(C(=O)Nc1ccc(Br)cc1)n1nc(C)cc(Cc2cccc(OC)c2)c1=O | 10.1021/acs.jmedchem.8b01912 | ||
CHEMBL4448213 | 170414 | 0 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 497 | 9 | 1 | 5 | 5.3 | CCCCC(C(=O)Nc1ccc(Br)cc1)n1nc(C)cc(Cc2cccc(OC)c2)c1=O | 10.1021/acs.jmedchem.8b01912 | ||
168279295 | 191046 | 0 | None | -91 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 442 | 5 | 2 | 3 | 4.4 | N#Cc1ccc(C[C@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2CCCc3ccccc32)cc1 | 10.1021/acs.jmedchem.1c02203 | ||
CHEMBL5187135 | 191046 | 0 | None | -91 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 442 | 5 | 2 | 3 | 4.4 | N#Cc1ccc(C[C@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2CCCc3ccccc32)cc1 | 10.1021/acs.jmedchem.1c02203 | ||
71699142 | 90706 | 0 | None | -1 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 442 | 6 | 2 | 6 | 3.7 | COc1ccc(Nc2cc(C)nn(CC(=O)Nc3ccc(Br)cc3)c2=O)cc1 | 10.1016/j.ejmech.2013.03.066 | ||
CHEMBL2391449 | 90706 | 0 | None | -1 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 442 | 6 | 2 | 6 | 3.7 | COc1ccc(Nc2cc(C)nn(CC(=O)Nc3ccc(Br)cc3)c2=O)cc1 | 10.1016/j.ejmech.2013.03.066 | ||
71698365 | 90704 | 0 | None | -7 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 484 | 7 | 2 | 7 | 3.9 | COc1ccc(Nc2c(C(C)=O)c(C)nn(CC(=O)Nc3ccc(Br)cc3)c2=O)cc1 | 10.1016/j.ejmech.2013.03.066 | ||
CHEMBL2391447 | 90704 | 0 | None | -7 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 484 | 7 | 2 | 7 | 3.9 | COc1ccc(Nc2c(C(C)=O)c(C)nn(CC(=O)Nc3ccc(Br)cc3)c2=O)cc1 | 10.1016/j.ejmech.2013.03.066 | ||
71699061 | 90697 | 0 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 461 | 5 | 1 | 4 | 4.7 | Cc1cc(Cc2cccc3ccccc23)c(=O)n(CC(=O)Nc2ccc(Br)cc2)n1 | 10.1016/j.ejmech.2013.03.066 | ||
CHEMBL2391438 | 90697 | 0 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 461 | 5 | 1 | 4 | 4.7 | Cc1cc(Cc2cccc3ccccc23)c(=O)n(CC(=O)Nc2ccc(Br)cc2)n1 | 10.1016/j.ejmech.2013.03.066 | ||
146597625 | 191262 | 1 | None | -47 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 420 | 5 | 2 | 6 | 3.4 | COc1cc(F)c([C@@H]2CNC(=O)[C@H]2Nc2nnc(-c3ccc(Cl)cc3)o2)c(F)c1 | 10.1021/acsmedchemlett.2c00079 | ||
CHEMBL5190385 | 191262 | 1 | None | -47 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 420 | 5 | 2 | 6 | 3.4 | COc1cc(F)c([C@@H]2CNC(=O)[C@H]2Nc2nnc(-c3ccc(Cl)cc3)o2)c(F)c1 | 10.1021/acsmedchemlett.2c00079 | ||
168286767 | 191682 | 0 | None | -53 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 442 | 5 | 2 | 3 | 4.0 | N#Cc1ccc(C[C@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2CCc3ccccc3C2)cc1 | 10.1021/acs.jmedchem.1c02203 | ||
CHEMBL5196551 | 191682 | 0 | None | -53 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 442 | 5 | 2 | 3 | 4.0 | N#Cc1ccc(C[C@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2CCc3ccccc3C2)cc1 | 10.1021/acs.jmedchem.1c02203 | ||
145949892 | 162820 | 0 | None | -2 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 459 | 9 | 3 | 5 | 3.6 | O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H](Cc1cccnc1)C(=O)NCC1(c2ccccc2)CC1 | 10.1016/j.ejmech.2017.09.023 | ||
CHEMBL4172556 | 162820 | 0 | None | -2 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 459 | 9 | 3 | 5 | 3.6 | O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H](Cc1cccnc1)C(=O)NCC1(c2ccccc2)CC1 | 10.1016/j.ejmech.2017.09.023 | ||
168279956 | 191083 | 0 | None | -4 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 460 | 5 | 2 | 3 | 4.2 | N#Cc1ccc(C[C@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2CCc3ccc(F)cc3C2)cc1 | 10.1021/acs.jmedchem.1c02203 | ||
CHEMBL5187563 | 191083 | 0 | None | -4 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 460 | 5 | 2 | 3 | 4.2 | N#Cc1ccc(C[C@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2CCc3ccc(F)cc3C2)cc1 | 10.1021/acs.jmedchem.1c02203 | ||
168283359 | 190812 | 0 | None | -5 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 380 | 5 | 2 | 3 | 3.1 | N#Cc1ccc(C[C@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2CCCC2)cc1 | 10.1021/acs.jmedchem.1c02203 | ||
CHEMBL5183856 | 190812 | 0 | None | -5 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 380 | 5 | 2 | 3 | 3.1 | N#Cc1ccc(C[C@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2CCCC2)cc1 | 10.1021/acs.jmedchem.1c02203 | ||
155519369 | 170378 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 441 | 7 | 1 | 6 | 4.0 | COc1cccc(Cc2cc(C)nn(C(C)C(=O)Nc3ccc(Cl)cc3)c2=O)c1OC | 10.1021/acs.jmedchem.8b01912 | ||
CHEMBL4447830 | 170378 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 441 | 7 | 1 | 6 | 4.0 | COc1cccc(Cc2cc(C)nn(C(C)C(=O)Nc3ccc(Cl)cc3)c2=O)c1OC | 10.1021/acs.jmedchem.8b01912 | ||
44233647 | 195535 | 0 | None | -1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 423 | 8 | 1 | 7 | 2.8 | COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(OC)c(OC)c3)c2=O)c1 | 10.1021/jm900592h | ||
CHEMBL554291 | 195535 | 0 | None | -1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 423 | 8 | 1 | 7 | 2.8 | COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(OC)c(OC)c3)c2=O)c1 | 10.1021/jm900592h | ||
54580795 | 61476 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 424 | 8 | 2 | 6 | 4.6 | CCOc1ccc2oc(C(=O)NC(CCSC)c3nc4cnccc4[nH]3)c(C)c2c1 | 10.1016/j.bmcl.2011.03.049 | ||
CHEMBL1770476 | 61476 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 424 | 8 | 2 | 6 | 4.6 | CCOc1ccc2oc(C(=O)NC(CCSC)c3nc4cnccc4[nH]3)c(C)c2c1 | 10.1016/j.bmcl.2011.03.049 | ||
44236330 | 194830 | 0 | None | -1 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 377 | 6 | 1 | 5 | 3.1 | COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(C)cc3)c2=O)c1 | 10.1021/jm900592h | ||
CHEMBL539401 | 194830 | 0 | None | -1 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 377 | 6 | 1 | 5 | 3.1 | COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(C)cc3)c2=O)c1 | 10.1021/jm900592h | ||
44236330 | 194830 | 0 | None | -1 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 377 | 6 | 1 | 5 | 3.1 | COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(C)cc3)c2=O)c1 | 10.1021/jm900592h | ||
CHEMBL539401 | 194830 | 0 | None | -1 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 377 | 6 | 1 | 5 | 3.1 | COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(C)cc3)c2=O)c1 | 10.1021/jm900592h | ||
168292800 | 192062 | 0 | None | -3 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 428 | 5 | 2 | 3 | 4.0 | N#Cc1ccc(C[C@@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2CCc3ccccc32)cc1 | 10.1021/acs.jmedchem.1c02203 | ||
CHEMBL5202577 | 192062 | 0 | None | -3 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 428 | 5 | 2 | 3 | 4.0 | N#Cc1ccc(C[C@@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2CCc3ccccc32)cc1 | 10.1021/acs.jmedchem.1c02203 | ||
155516247 | 170029 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 411 | 6 | 1 | 5 | 4.0 | COc1ccccc1Cc1cc(C)nn(C(C)C(=O)Nc2ccc(Cl)cc2)c1=O | 10.1021/acs.jmedchem.8b01912 | ||
CHEMBL4442702 | 170029 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 411 | 6 | 1 | 5 | 4.0 | COc1ccccc1Cc1cc(C)nn(C(C)C(=O)Nc2ccc(Cl)cc2)c1=O | 10.1021/acs.jmedchem.8b01912 | ||
CHEMBL5076914 | 214469 | 4 | None | -1 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | None | None | None | O=C(Nc1ccc(Br)cc1)NC1CCN(c2ccccc2)C1=O | 10.1016/j.ejmech.2021.113805 | ||||
168282160 | 190850 | 0 | None | -1 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 446 | 5 | 2 | 3 | 4.2 | N#Cc1ccc(C[C@@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2CCc3cc(F)ccc32)cc1 | 10.1021/acs.jmedchem.1c02203 | ||
CHEMBL5184490 | 190850 | 0 | None | -1 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 446 | 5 | 2 | 3 | 4.2 | N#Cc1ccc(C[C@@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2CCc3cc(F)ccc32)cc1 | 10.1021/acs.jmedchem.1c02203 | ||
168278342 | 191151 | 0 | None | 1 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 394 | 5 | 2 | 3 | 3.4 | N#Cc1ccc(C[C@@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2CCCCC2)cc1 | 10.1021/acs.jmedchem.1c02203 | ||
CHEMBL5188537 | 191151 | 0 | None | 1 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 394 | 5 | 2 | 3 | 3.4 | N#Cc1ccc(C[C@@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2CCCCC2)cc1 | 10.1021/acs.jmedchem.1c02203 | ||
145953127 | 162439 | 0 | None | -9 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 470 | 8 | 4 | 2 | 4.9 | O=C(Nc1ccc(F)cc1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC1(c2ccccc2)CC1 | 10.1016/j.ejmech.2017.09.023 | ||
CHEMBL4166447 | 162439 | 0 | None | -9 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 470 | 8 | 4 | 2 | 4.9 | O=C(Nc1ccc(F)cc1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC1(c2ccccc2)CC1 | 10.1016/j.ejmech.2017.09.023 | ||
CHEMBL266802 | 210700 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)Nc1ccc(C)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1021/jm950908d | ||||
1022 | 1669 | 55 | None | 4897 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm950908d | ||||
443295 | 1669 | 55 | None | 4897 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm950908d | ||||
CHEMBL267179 | 1669 | 55 | None | 4897 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm950908d | ||||
44233648 | 195067 | 0 | None | -2 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 431 | 6 | 1 | 5 | 3.8 | COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(C(F)(F)F)cc3)c2=O)c1 | 10.1021/jm900592h | ||
CHEMBL549570 | 195067 | 0 | None | -2 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 431 | 6 | 1 | 5 | 3.8 | COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(C(F)(F)F)cc3)c2=O)c1 | 10.1021/jm900592h | ||
44233648 | 195067 | 0 | None | -2 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 431 | 6 | 1 | 5 | 3.8 | COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(C(F)(F)F)cc3)c2=O)c1 | 10.1021/jm900592h | ||
CHEMBL549570 | 195067 | 0 | None | -2 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 431 | 6 | 1 | 5 | 3.8 | COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(C(F)(F)F)cc3)c2=O)c1 | 10.1021/jm900592h | ||
168280238 | 190954 | 0 | None | -6 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 428 | 5 | 2 | 3 | 4.0 | N#Cc1ccc(C[C@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2Cc3ccccc3C2)cc1 | 10.1021/acs.jmedchem.1c02203 | ||
CHEMBL5185921 | 190954 | 0 | None | -6 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 428 | 5 | 2 | 3 | 4.0 | N#Cc1ccc(C[C@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2Cc3ccccc3C2)cc1 | 10.1021/acs.jmedchem.1c02203 | ||
155519289 | 170365 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 427 | 7 | 1 | 6 | 3.5 | COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(Cl)cc3)c2=O)c1OC | 10.1021/acs.jmedchem.8b01912 | ||
CHEMBL4447632 | 170365 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 427 | 7 | 1 | 6 | 3.5 | COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(Cl)cc3)c2=O)c1OC | 10.1021/acs.jmedchem.8b01912 | ||
44232675 | 195663 | 0 | None | 1 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 407 | 6 | 1 | 7 | 2.5 | COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc4c(c3)OCO4)c2=O)c1 | 10.1021/jm900592h | ||
CHEMBL556485 | 195663 | 0 | None | 1 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 407 | 6 | 1 | 7 | 2.5 | COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc4c(c3)OCO4)c2=O)c1 | 10.1021/jm900592h | ||
145978177 | 163061 | 0 | None | 1 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 452 | 8 | 4 | 2 | 4.7 | O=C(Nc1ccccc1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC1(c2ccccc2)CC1 | 10.1016/j.ejmech.2017.09.023 | ||
CHEMBL4176353 | 163061 | 0 | None | 1 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 452 | 8 | 4 | 2 | 4.7 | O=C(Nc1ccccc1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC1(c2ccccc2)CC1 | 10.1016/j.ejmech.2017.09.023 | ||
168283038 | 190927 | 0 | None | -16 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 429 | 5 | 2 | 4 | 3.4 | N#Cc1ccc(C[C@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2CCc3cccnc32)cc1 | 10.1021/acs.jmedchem.1c02203 | ||
CHEMBL5185462 | 190927 | 0 | None | -16 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 429 | 5 | 2 | 4 | 3.4 | N#Cc1ccc(C[C@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2CCc3cccnc32)cc1 | 10.1021/acs.jmedchem.1c02203 | ||
122487986 | 175974 | 0 | None | -1 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 411 | 6 | 1 | 5 | 4.0 | COc1cccc(Cc2cc(C)nn(C(C)C(=O)Nc3ccc(Cl)cc3)c2=O)c1 | 10.1021/acs.jmedchem.8b01912 | ||
CHEMBL4588649 | 175974 | 0 | None | -1 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 411 | 6 | 1 | 5 | 4.0 | COc1cccc(Cc2cc(C)nn(C(C)C(=O)Nc3ccc(Cl)cc3)c2=O)c1 | 10.1021/acs.jmedchem.8b01912 | ||
122181231 | 121707 | 0 | None | -3 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 555 | 10 | 4 | 5 | 5.3 | COc1ccc(NC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCC2(c3ccc(OC)cn3)CCCCC2)cc1 | 10.1016/j.ejmech.2017.09.023 | ||
CHEMBL3588871 | 121707 | 0 | None | -3 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 555 | 10 | 4 | 5 | 5.3 | COc1ccc(NC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCC2(c3ccc(OC)cn3)CCCCC2)cc1 | 10.1016/j.ejmech.2017.09.023 | ||
44236328 | 195676 | 0 | None | -1 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 397 | 6 | 1 | 5 | 3.4 | COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(Cl)cc3)c2=O)c1 | 10.1021/jm900592h | ||
CHEMBL556625 | 195676 | 0 | None | -1 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 397 | 6 | 1 | 5 | 3.4 | COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(Cl)cc3)c2=O)c1 | 10.1021/jm900592h | ||
44236326 | 195322 | 0 | None | -1 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 441 | 6 | 1 | 5 | 3.6 | COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(Br)cc3)c2=O)c1 | 10.1021/jm900592h | ||
CHEMBL551589 | 195322 | 0 | None | -1 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 441 | 6 | 1 | 5 | 3.6 | COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(Br)cc3)c2=O)c1 | 10.1021/jm900592h | ||
44236326 | 195322 | 0 | None | -1 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 441 | 6 | 1 | 5 | 3.6 | COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(Br)cc3)c2=O)c1 | 10.1021/jm900592h | ||
CHEMBL551589 | 195322 | 0 | None | -1 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 441 | 6 | 1 | 5 | 3.6 | COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(Br)cc3)c2=O)c1 | 10.1021/jm900592h | ||
168281748 | 190885 | 0 | None | -6 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 460 | 5 | 2 | 3 | 4.2 | N#Cc1ccc(C[C@@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2CCc3ccc(F)cc3C2)cc1 | 10.1021/acs.jmedchem.1c02203 | ||
CHEMBL5184913 | 190885 | 0 | None | -6 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 460 | 5 | 2 | 3 | 4.2 | N#Cc1ccc(C[C@@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2CCc3ccc(F)cc3C2)cc1 | 10.1021/acs.jmedchem.1c02203 | ||
168283383 | 190844 | 0 | None | -3 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 380 | 5 | 2 | 3 | 3.1 | N#Cc1ccc(C[C@@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2CCCC2)cc1 | 10.1021/acs.jmedchem.1c02203 | ||
CHEMBL5184396 | 190844 | 0 | None | -3 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 380 | 5 | 2 | 3 | 3.1 | N#Cc1ccc(C[C@@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2CCCC2)cc1 | 10.1021/acs.jmedchem.1c02203 | ||
44233644 | 196090 | 0 | None | 1 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 489 | 6 | 1 | 5 | 3.4 | COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(I)cc3)c2=O)c1 | 10.1021/jm900592h | ||
CHEMBL560780 | 196090 | 0 | None | 1 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 489 | 6 | 1 | 5 | 3.4 | COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(I)cc3)c2=O)c1 | 10.1021/jm900592h | ||
145952485 | 162853 | 0 | None | -2 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 483 | 9 | 3 | 5 | 4.0 | N#Cc1ccc(C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C(=O)NCC2(c3ccccc3)CC2)cc1 | 10.1016/j.ejmech.2017.09.023 | ||
CHEMBL4172968 | 162853 | 0 | None | -2 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 483 | 9 | 3 | 5 | 4.0 | N#Cc1ccc(C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C(=O)NCC2(c3ccccc3)CC2)cc1 | 10.1016/j.ejmech.2017.09.023 | ||
155538591 | 172405 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 427 | 7 | 1 | 6 | 3.5 | COc1cccc(OC)c1Cc1cc(C)nn(CC(=O)Nc2ccc(Cl)cc2)c1=O | 10.1021/acs.jmedchem.8b01912 | ||
CHEMBL4476616 | 172405 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 427 | 7 | 1 | 6 | 3.5 | COc1cccc(OC)c1Cc1cc(C)nn(CC(=O)Nc2ccc(Cl)cc2)c1=O | 10.1021/acs.jmedchem.8b01912 | ||
168282231 | 190962 | 0 | None | -16 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 446 | 5 | 2 | 3 | 4.2 | N#Cc1ccc(C[C@@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2CCc3ccc(F)cc32)cc1 | 10.1021/acs.jmedchem.1c02203 | ||
CHEMBL5185982 | 190962 | 0 | None | -16 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 446 | 5 | 2 | 3 | 4.2 | N#Cc1ccc(C[C@@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2CCc3ccc(F)cc32)cc1 | 10.1021/acs.jmedchem.1c02203 | ||
168291793 | 191931 | 0 | None | -2 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 429 | 5 | 2 | 4 | 3.4 | N#Cc1ccc(C[C@@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2CCc3cccnc32)cc1 | 10.1021/acs.jmedchem.1c02203 | ||
CHEMBL5200365 | 191931 | 0 | None | -2 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 429 | 5 | 2 | 4 | 3.4 | N#Cc1ccc(C[C@@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2CCc3cccnc32)cc1 | 10.1021/acs.jmedchem.1c02203 | ||
71699063 | 90700 | 0 | None | -1 | 2 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 454 | 6 | 2 | 5 | 2.6 | Cc1cc(Cc2ccc(C(N)=O)cc2)c(=O)n(CC(=O)Nc2ccc(Br)cc2)n1 | 10.1016/j.ejmech.2013.03.066 | ||
CHEMBL2391440 | 90700 | 0 | None | -1 | 2 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 454 | 6 | 2 | 5 | 2.6 | Cc1cc(Cc2ccc(C(N)=O)cc2)c(=O)n(CC(=O)Nc2ccc(Br)cc2)n1 | 10.1016/j.ejmech.2013.03.066 | ||
CHEMBL265408 | 210647 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | CCCCNC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1021/jm950908d | ||||
71698362 | 90703 | 0 | None | -3 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 455 | 6 | 1 | 6 | 3.2 | COc1cccc(C(=O)c2cc(C)nn(CC(=O)Nc3ccc(Br)cc3)c2=O)c1 | 10.1016/j.ejmech.2013.03.066 | ||
CHEMBL2391446 | 90703 | 0 | None | -3 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 455 | 6 | 1 | 6 | 3.2 | COc1cccc(C(=O)c2cc(C)nn(CC(=O)Nc3ccc(Br)cc3)c2=O)c1 | 10.1016/j.ejmech.2013.03.066 | ||
CHEMBL7306 | 215872 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1021/jm950908d | ||||
24776341 | 3239 | 39 | None | -20 | 4 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 384 | 4 | 2 | 4 | 4.6 | O=C(Nc1c(C(C)C)n(n(c1=O)c1ccccc1)C)Nc1ccc(cc1)Cl | 10.1021/acs.jmedchem.8b01912 | ||
5831 | 3239 | 39 | None | -20 | 4 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 384 | 4 | 2 | 4 | 4.6 | O=C(Nc1c(C(C)C)n(n(c1=O)c1ccccc1)C)Nc1ccc(cc1)Cl | 10.1021/acs.jmedchem.8b01912 | ||
CHEMBL379761 | 3239 | 39 | None | -20 | 4 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 384 | 4 | 2 | 4 | 4.6 | O=C(Nc1c(C(C)C)n(n(c1=O)c1ccccc1)C)Nc1ccc(cc1)Cl | 10.1021/acs.jmedchem.8b01912 | ||
164916036 | 191587 | 0 | None | -147 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 428 | 5 | 2 | 3 | 4.0 | N#Cc1ccc(C[C@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2CCc3ccccc32)cc1 | 10.1021/acs.jmedchem.1c02203 | ||
CHEMBL5195186 | 191587 | 0 | None | -147 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 428 | 5 | 2 | 3 | 4.0 | N#Cc1ccc(C[C@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2CCc3ccccc32)cc1 | 10.1021/acs.jmedchem.1c02203 | ||
44232925 | 196649 | 2 | None | -2 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 455 | 6 | 1 | 5 | 4.1 | COc1cccc(Cc2cc(C)nn(C(C)C(=O)Nc3ccc(Br)cc3)c2=O)c1 | 10.1021/jm900592h | ||
CHEMBL564392 | 196649 | 2 | None | -2 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 455 | 6 | 1 | 5 | 4.1 | COc1cccc(Cc2cc(C)nn(C(C)C(=O)Nc3ccc(Br)cc3)c2=O)c1 | 10.1021/jm900592h | ||
44233644 | 196090 | 0 | None | 1 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 489 | 6 | 1 | 5 | 3.4 | COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(I)cc3)c2=O)c1 | 10.1021/jm900592h | ||
CHEMBL560780 | 196090 | 0 | None | 1 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 489 | 6 | 1 | 5 | 3.4 | COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(I)cc3)c2=O)c1 | 10.1021/jm900592h | ||
44233645 | 196185 | 0 | None | -5 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 363 | 6 | 1 | 5 | 2.8 | COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccccc3)c2=O)c1 | 10.1021/jm900592h | ||
CHEMBL561375 | 196185 | 0 | None | -5 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 363 | 6 | 1 | 5 | 2.8 | COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccccc3)c2=O)c1 | 10.1021/jm900592h | ||
44233644 | 196090 | 0 | None | 1 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 489 | 6 | 1 | 5 | 3.4 | COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(I)cc3)c2=O)c1 | 10.1021/jm900592h | ||
CHEMBL560780 | 196090 | 0 | None | 1 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 489 | 6 | 1 | 5 | 3.4 | COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(I)cc3)c2=O)c1 | 10.1021/jm900592h | ||
44233645 | 196185 | 0 | None | -5 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 363 | 6 | 1 | 5 | 2.8 | COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccccc3)c2=O)c1 | 10.1021/jm900592h | ||
CHEMBL561375 | 196185 | 0 | None | -5 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 363 | 6 | 1 | 5 | 2.8 | COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccccc3)c2=O)c1 | 10.1021/jm900592h | ||
168283929 | 191100 | 0 | None | -1 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 446 | 5 | 2 | 3 | 4.1 | N#Cc1ccc(C[C@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2Cc3ccc(F)cc3C2)cc1 | 10.1021/acs.jmedchem.1c02203 | ||
CHEMBL5187763 | 191100 | 0 | None | -1 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 446 | 5 | 2 | 3 | 4.1 | N#Cc1ccc(C[C@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2Cc3ccc(F)cc3C2)cc1 | 10.1021/acs.jmedchem.1c02203 | ||
44236326 | 195322 | 0 | None | -1 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 441 | 6 | 1 | 5 | 3.6 | COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(Br)cc3)c2=O)c1 | 10.1021/jm900592h | ||
CHEMBL551589 | 195322 | 0 | None | -1 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 441 | 6 | 1 | 5 | 3.6 | COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(Br)cc3)c2=O)c1 | 10.1021/jm900592h | ||
44233647 | 195535 | 0 | None | -1 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 423 | 8 | 1 | 7 | 2.8 | COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(OC)c(OC)c3)c2=O)c1 | 10.1021/jm900592h | ||
CHEMBL554291 | 195535 | 0 | None | -1 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 423 | 8 | 1 | 7 | 2.8 | COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(OC)c(OC)c3)c2=O)c1 | 10.1021/jm900592h | ||
44232675 | 195663 | 0 | None | 1 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 407 | 6 | 1 | 7 | 2.5 | COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc4c(c3)OCO4)c2=O)c1 | 10.1021/jm900592h | ||
CHEMBL556485 | 195663 | 0 | None | 1 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 407 | 6 | 1 | 7 | 2.5 | COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc4c(c3)OCO4)c2=O)c1 | 10.1021/jm900592h | ||
44233647 | 195535 | 0 | None | -1 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 423 | 8 | 1 | 7 | 2.8 | COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(OC)c(OC)c3)c2=O)c1 | 10.1021/jm900592h | ||
CHEMBL554291 | 195535 | 0 | None | -1 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 423 | 8 | 1 | 7 | 2.8 | COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(OC)c(OC)c3)c2=O)c1 | 10.1021/jm900592h | ||
44232675 | 195663 | 0 | None | 1 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 407 | 6 | 1 | 7 | 2.5 | COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc4c(c3)OCO4)c2=O)c1 | 10.1021/jm900592h | ||
CHEMBL556485 | 195663 | 0 | None | 1 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 407 | 6 | 1 | 7 | 2.5 | COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc4c(c3)OCO4)c2=O)c1 | 10.1021/jm900592h | ||
44236329 | 195447 | 0 | None | 1 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 381 | 6 | 1 | 5 | 2.9 | COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(F)cc3)c2=O)c1 | 10.1021/jm900592h | ||
CHEMBL552396 | 195447 | 0 | None | 1 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 381 | 6 | 1 | 5 | 2.9 | COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(F)cc3)c2=O)c1 | 10.1021/jm900592h | ||
44236329 | 195447 | 0 | None | 1 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 381 | 6 | 1 | 5 | 2.9 | COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(F)cc3)c2=O)c1 | 10.1021/jm900592h | ||
CHEMBL552396 | 195447 | 0 | None | 1 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 381 | 6 | 1 | 5 | 2.9 | COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(F)cc3)c2=O)c1 | 10.1021/jm900592h | ||
CHEMBL7520 | 215875 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1021/jm950908d | ||||
11024 | 688 | 19 | None | -177 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 361 | 4 | 3 | 3 | 2.4 | COc1cc(F)c(c(c1)F)[C@@H]1CNC(=O)[C@H]1NC(=O)Nc1ccccc1 | 10.1021/acs.jmedchem.9b02101 | ||
122583088 | 688 | 19 | None | -177 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 361 | 4 | 3 | 3 | 2.4 | COc1cc(F)c(c(c1)F)[C@@H]1CNC(=O)[C@H]1NC(=O)Nc1ccccc1 | 10.1021/acs.jmedchem.9b02101 | ||
CHEMBL4784510 | 688 | 19 | None | -177 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 361 | 4 | 3 | 3 | 2.4 | COc1cc(F)c(c(c1)F)[C@@H]1CNC(=O)[C@H]1NC(=O)Nc1ccccc1 | 10.1021/acs.jmedchem.9b02101 | ||
11024 | 688 | 19 | None | -177 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 361 | 4 | 3 | 3 | 2.4 | COc1cc(F)c(c(c1)F)[C@@H]1CNC(=O)[C@H]1NC(=O)Nc1ccccc1 | 10.1021/acsmedchemlett.2c00079 | ||
122583088 | 688 | 19 | None | -177 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 361 | 4 | 3 | 3 | 2.4 | COc1cc(F)c(c(c1)F)[C@@H]1CNC(=O)[C@H]1NC(=O)Nc1ccccc1 | 10.1021/acsmedchemlett.2c00079 | ||
CHEMBL4784510 | 688 | 19 | None | -177 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 361 | 4 | 3 | 3 | 2.4 | COc1cc(F)c(c(c1)F)[C@@H]1CNC(=O)[C@H]1NC(=O)Nc1ccccc1 | 10.1021/acsmedchemlett.2c00079 | ||
168296342 | 192447 | 0 | None | -2 | 2 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 428 | 5 | 2 | 3 | 4.0 | N#Cc1ccc(C[C@@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2Cc3ccccc3C2)cc1 | 10.1021/acs.jmedchem.1c02203 | ||
CHEMBL5208434 | 192447 | 0 | None | -2 | 2 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 428 | 5 | 2 | 3 | 4.0 | N#Cc1ccc(C[C@@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2Cc3ccccc3C2)cc1 | 10.1021/acs.jmedchem.1c02203 | ||
71698528 | 90670 | 0 | None | 1 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 503 | 7 | 1 | 5 | 3.6 | CCc1cc(Cc2cccc(OC)c2)c(=O)n(CC(=O)Nc2ccc(I)cc2)n1 | 10.1016/j.ejmech.2013.03.066 | ||
CHEMBL2391255 | 90670 | 0 | None | 1 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 503 | 7 | 1 | 5 | 3.6 | CCc1cc(Cc2cccc(OC)c2)c(=O)n(CC(=O)Nc2ccc(I)cc2)n1 | 10.1016/j.ejmech.2013.03.066 | ||
168274924 | 190269 | 0 | None | -1 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 456 | 5 | 2 | 3 | 4.8 | CC1(C)CN(C(=O)[C@H](Cc2ccc(C#N)cc2)NC(=O)Nc2ccc(F)cc2)c2ccccc21 | 10.1021/acs.jmedchem.1c02203 | ||
CHEMBL5175543 | 190269 | 0 | None | -1 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 456 | 5 | 2 | 3 | 4.8 | CC1(C)CN(C(=O)[C@H](Cc2ccc(C#N)cc2)NC(=O)Nc2ccc(F)cc2)c2ccccc21 | 10.1021/acs.jmedchem.1c02203 | ||
168273654 | 190326 | 0 | None | -6 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 437 | 6 | 4 | 4 | 2.2 | N#Cc1ccc(C[C@@H](NC(=O)Nc2ccc(F)cc2)C(=O)NC2CCCCNC2=O)cc1 | 10.1021/acs.jmedchem.1c02203 | ||
CHEMBL5176452 | 190326 | 0 | None | -6 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 437 | 6 | 4 | 4 | 2.2 | N#Cc1ccc(C[C@@H](NC(=O)Nc2ccc(F)cc2)C(=O)NC2CCCCNC2=O)cc1 | 10.1021/acs.jmedchem.1c02203 | ||
122181231 | 121707 | 0 | None | -3 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 555 | 10 | 4 | 5 | 5.3 | COc1ccc(NC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCC2(c3ccc(OC)cn3)CCCCC2)cc1 | 10.1016/j.bmc.2014.12.007 | ||
CHEMBL3588871 | 121707 | 0 | None | -3 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 555 | 10 | 4 | 5 | 5.3 | COc1ccc(NC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCC2(c3ccc(OC)cn3)CCCCC2)cc1 | 10.1016/j.bmc.2014.12.007 | ||
44233905 | 196333 | 0 | None | 1 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 441 | 6 | 1 | 5 | 3.6 | COc1ccc(Cc2cc(C)nn(CC(=O)Nc3ccc(Br)cc3)c2=O)cc1 | 10.1021/jm900592h | ||
CHEMBL562380 | 196333 | 0 | None | 1 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 441 | 6 | 1 | 5 | 3.6 | COc1ccc(Cc2cc(C)nn(CC(=O)Nc3ccc(Br)cc3)c2=O)cc1 | 10.1021/jm900592h | ||
44233905 | 196333 | 0 | None | 1 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 441 | 6 | 1 | 5 | 3.6 | COc1ccc(Cc2cc(C)nn(CC(=O)Nc3ccc(Br)cc3)c2=O)cc1 | 10.1021/jm900592h | ||
CHEMBL562380 | 196333 | 0 | None | 1 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 441 | 6 | 1 | 5 | 3.6 | COc1ccc(Cc2cc(C)nn(CC(=O)Nc3ccc(Br)cc3)c2=O)cc1 | 10.1021/jm900592h | ||
168281597 | 191270 | 0 | None | -50 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 442 | 5 | 2 | 3 | 4.4 | N#Cc1ccc(C[C@@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2CCCc3ccccc32)cc1 | 10.1021/acs.jmedchem.1c02203 | ||
CHEMBL5190571 | 191270 | 0 | None | -50 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 442 | 5 | 2 | 3 | 4.4 | N#Cc1ccc(C[C@@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2CCCc3ccccc32)cc1 | 10.1021/acs.jmedchem.1c02203 | ||
145956361 | 162011 | 0 | None | 2 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 520 | 9 | 3 | 4 | 4.9 | COc1ccc(NC(=O)N[C@@H](Cc2ccc(C#N)cc2)C(=O)NCC2(c3ccc(F)c(Cl)c3)CC2)cc1 | 10.1016/j.ejmech.2017.09.023 | ||
CHEMBL4159569 | 162011 | 0 | None | 2 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 520 | 9 | 3 | 4 | 4.9 | COc1ccc(NC(=O)N[C@@H](Cc2ccc(C#N)cc2)C(=O)NCC2(c3ccc(F)c(Cl)c3)CC2)cc1 | 10.1016/j.ejmech.2017.09.023 | ||
71698529 | 90671 | 0 | None | 1 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 469 | 7 | 1 | 5 | 4.4 | COc1cccc(Cc2cc(C(C)C)nn(CC(=O)Nc3ccc(Br)cc3)c2=O)c1 | 10.1016/j.ejmech.2013.03.066 | ||
CHEMBL2391256 | 90671 | 0 | None | 1 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 469 | 7 | 1 | 5 | 4.4 | COc1cccc(Cc2cc(C(C)C)nn(CC(=O)Nc3ccc(Br)cc3)c2=O)c1 | 10.1016/j.ejmech.2013.03.066 | ||
71699059 | 90679 | 0 | None | 3 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 417 | 5 | 1 | 5 | 3.6 | Cc1cc(Cc2ccsc2)c(=O)n(CC(=O)Nc2ccc(Br)cc2)n1 | 10.1016/j.ejmech.2013.03.066 | ||
CHEMBL2391286 | 90679 | 0 | None | 3 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 417 | 5 | 1 | 5 | 3.6 | Cc1cc(Cc2ccsc2)c(=O)n(CC(=O)Nc2ccc(Br)cc2)n1 | 10.1016/j.ejmech.2013.03.066 | ||
146597621 | 191337 | 0 | None | -33 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 419 | 5 | 2 | 5 | 4.0 | COc1cc(F)c([C@@H]2CNC(=O)[C@H]2Nc2cc(-c3ccc(Cl)cc3)on2)c(F)c1 | 10.1021/acsmedchemlett.2c00079 | ||
CHEMBL5191583 | 191337 | 0 | None | -33 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 419 | 5 | 2 | 5 | 4.0 | COc1cc(F)c([C@@H]2CNC(=O)[C@H]2Nc2cc(-c3ccc(Cl)cc3)on2)c(F)c1 | 10.1021/acsmedchemlett.2c00079 | ||
145956762 | 162168 | 0 | None | -1 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 483 | 9 | 3 | 5 | 4.0 | N#Cc1ccc(C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C(=O)NCC2(c3ccccc3)CC2)cc1 | 10.1016/j.ejmech.2017.09.023 | ||
CHEMBL4162303 | 162168 | 0 | None | -1 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 483 | 9 | 3 | 5 | 4.0 | N#Cc1ccc(C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C(=O)NCC2(c3ccccc3)CC2)cc1 | 10.1016/j.ejmech.2017.09.023 | ||
163322252 | 191880 | 5 | None | -26 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 446 | 5 | 2 | 3 | 4.2 | N#Cc1ccc(C[C@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2CCc3cc(F)ccc32)cc1 | 10.1021/acs.jmedchem.1c02203 | ||
CHEMBL5199629 | 191880 | 5 | None | -26 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 446 | 5 | 2 | 3 | 4.2 | N#Cc1ccc(C[C@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2CCc3cc(F)ccc32)cc1 | 10.1021/acs.jmedchem.1c02203 | ||
457933 | 215723 | 28 | None | -501 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](CCSC)C(N)=O)C(C)C | 10.1021/jm900592h | ||||
CHEMBL552527 | 215723 | 28 | None | -501 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](CCSC)C(N)=O)C(C)C | 10.1021/jm900592h | ||||
11024 | 688 | 19 | None | -12 | 4 | Mouse | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 361 | 4 | 3 | 3 | 2.4 | COc1cc(F)c(c(c1)F)[C@@H]1CNC(=O)[C@H]1NC(=O)Nc1ccccc1 | 10.1021/acs.jmedchem.9b02101 | ||
122583088 | 688 | 19 | None | -12 | 4 | Mouse | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 361 | 4 | 3 | 3 | 2.4 | COc1cc(F)c(c(c1)F)[C@@H]1CNC(=O)[C@H]1NC(=O)Nc1ccccc1 | 10.1021/acs.jmedchem.9b02101 | ||
CHEMBL4784510 | 688 | 19 | None | -12 | 4 | Mouse | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 361 | 4 | 3 | 3 | 2.4 | COc1cc(F)c(c(c1)F)[C@@H]1CNC(=O)[C@H]1NC(=O)Nc1ccccc1 | 10.1021/acs.jmedchem.9b02101 | ||
145958736 | 162216 | 0 | None | -6 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 508 | 8 | 3 | 3 | 5.1 | N#Cc1ccc(C[C@H](NC(=O)Nc2ccc(F)cc2)C(=O)NCC2(c3ccc(F)c(Cl)c3)CC2)cc1 | 10.1016/j.ejmech.2017.09.023 | ||
CHEMBL4162930 | 162216 | 0 | None | -6 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 508 | 8 | 3 | 3 | 5.1 | N#Cc1ccc(C[C@H](NC(=O)Nc2ccc(F)cc2)C(=O)NCC2(c3ccc(F)c(Cl)c3)CC2)cc1 | 10.1016/j.ejmech.2017.09.023 | ||
155555898 | 174367 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 453 | 9 | 1 | 5 | 5.2 | CCCCC(C(=O)Nc1ccc(Cl)cc1)n1nc(C)cc(Cc2cccc(OC)c2)c1=O | 10.1021/acs.jmedchem.8b01912 | ||
CHEMBL4551649 | 174367 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 453 | 9 | 1 | 5 | 5.2 | CCCCC(C(=O)Nc1ccc(Cl)cc1)n1nc(C)cc(Cc2cccc(OC)c2)c1=O | 10.1021/acs.jmedchem.8b01912 | ||
146035589 | 173729 | 0 | None | -1 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 483 | 10 | 1 | 6 | 5.2 | CCCCC(C(=O)Nc1ccc(Cl)cc1)n1nc(C)cc(Cc2cccc(OC)c2OC)c1=O | 10.1021/acs.jmedchem.8b01912 | ||
CHEMBL4536334 | 173729 | 0 | None | -1 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 483 | 10 | 1 | 6 | 5.2 | CCCCC(C(=O)Nc1ccc(Cl)cc1)n1nc(C)cc(Cc2cccc(OC)c2OC)c1=O | 10.1021/acs.jmedchem.8b01912 | ||
145951856 | 162891 | 0 | None | -8 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 508 | 8 | 3 | 3 | 5.1 | N#Cc1ccc(C[C@@H](NC(=O)Nc2ccc(F)cc2)C(=O)NCC2(c3ccc(F)c(Cl)c3)CC2)cc1 | 10.1016/j.ejmech.2017.09.023 | ||
CHEMBL4173645 | 162891 | 0 | None | -8 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 508 | 8 | 3 | 3 | 5.1 | N#Cc1ccc(C[C@@H](NC(=O)Nc2ccc(F)cc2)C(=O)NCC2(c3ccc(F)c(Cl)c3)CC2)cc1 | 10.1016/j.ejmech.2017.09.023 | ||
71698880 | 90674 | 0 | None | 2 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 411 | 5 | 1 | 4 | 3.5 | Cc1cc(Cc2ccccc2)c(=O)n(CC(=O)Nc2ccc(Br)cc2)n1 | 10.1016/j.ejmech.2013.03.066 | ||
CHEMBL2391277 | 90674 | 0 | None | 2 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 411 | 5 | 1 | 4 | 3.5 | Cc1cc(Cc2ccccc2)c(=O)n(CC(=O)Nc2ccc(Br)cc2)n1 | 10.1016/j.ejmech.2013.03.066 | ||
162425412 | 191068 | 0 | None | -21 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 386 | 5 | 2 | 6 | 2.7 | COc1cc(F)c([C@@H]2CNC(=O)[C@H]2Nc2nnc(-c3ccccc3)o2)c(F)c1 | 10.1021/acsmedchemlett.2c00079 | ||
CHEMBL5187399 | 191068 | 0 | None | -21 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 386 | 5 | 2 | 6 | 2.7 | COc1cc(F)c([C@@H]2CNC(=O)[C@H]2Nc2nnc(-c3ccccc3)o2)c(F)c1 | 10.1021/acsmedchemlett.2c00079 | ||
168278240 | 191101 | 0 | None | 1 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 446 | 5 | 2 | 3 | 4.1 | N#Cc1ccc(C[C@@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2Cc3ccc(F)cc3C2)cc1 | 10.1021/acs.jmedchem.1c02203 | ||
CHEMBL5187767 | 191101 | 0 | None | 1 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 446 | 5 | 2 | 3 | 4.1 | N#Cc1ccc(C[C@@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2Cc3ccc(F)cc3C2)cc1 | 10.1021/acs.jmedchem.1c02203 | ||
44233648 | 195067 | 0 | None | -2 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 431 | 6 | 1 | 5 | 3.8 | COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(C(F)(F)F)cc3)c2=O)c1 | 10.1021/jm900592h | ||
CHEMBL549570 | 195067 | 0 | None | -2 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 431 | 6 | 1 | 5 | 3.8 | COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(C(F)(F)F)cc3)c2=O)c1 | 10.1021/jm900592h | ||
71698972 | 90678 | 0 | None | 1 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 401 | 5 | 1 | 5 | 3.1 | Cc1cc(Cc2ccoc2)c(=O)n(CC(=O)Nc2ccc(Br)cc2)n1 | 10.1016/j.ejmech.2013.03.066 | ||
CHEMBL2391285 | 90678 | 0 | None | 1 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 401 | 5 | 1 | 5 | 3.1 | Cc1cc(Cc2ccoc2)c(=O)n(CC(=O)Nc2ccc(Br)cc2)n1 | 10.1016/j.ejmech.2013.03.066 | ||
145955803 | 162646 | 0 | None | -2 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 488 | 8 | 3 | 3 | 4.7 | Cc1ccc(C2(CNC(=O)[C@H](Cc3ccc(C#N)cc3)NC(=O)Nc3ccc(F)cc3)CC2)cc1F | 10.1016/j.ejmech.2017.09.023 | ||
CHEMBL4169807 | 162646 | 0 | None | -2 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 488 | 8 | 3 | 3 | 4.7 | Cc1ccc(C2(CNC(=O)[C@H](Cc3ccc(C#N)cc3)NC(=O)Nc3ccc(F)cc3)CC2)cc1F | 10.1016/j.ejmech.2017.09.023 | ||
154706263 | 173569 | 2 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 527 | 10 | 1 | 6 | 5.3 | CCCCC(C(=O)Nc1ccc(Br)cc1)n1nc(C)cc(Cc2cccc(OC)c2OC)c1=O | 10.1021/acs.jmedchem.8b01912 | ||
CHEMBL4532583 | 173569 | 2 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 527 | 10 | 1 | 6 | 5.3 | CCCCC(C(=O)Nc1ccc(Br)cc1)n1nc(C)cc(Cc2cccc(OC)c2OC)c1=O | 10.1021/acs.jmedchem.8b01912 | ||
146035588 | 170896 | 2 | None | -5 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 453 | 9 | 1 | 5 | 5.2 | CCCCC(C(=O)Nc1ccc(Cl)cc1)n1nc(C)cc(Cc2ccccc2OC)c1=O | 10.1021/acs.jmedchem.8b01912 | ||
CHEMBL4454594 | 170896 | 2 | None | -5 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 453 | 9 | 1 | 5 | 5.2 | CCCCC(C(=O)Nc1ccc(Cl)cc1)n1nc(C)cc(Cc2ccccc2OC)c1=O | 10.1021/acs.jmedchem.8b01912 | ||
71698527 | 90669 | 0 | None | 1 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 427 | 6 | 1 | 5 | 3.2 | COc1cccc(Cc2ccnn(CC(=O)Nc3ccc(Br)cc3)c2=O)c1 | 10.1016/j.ejmech.2013.03.066 | ||
CHEMBL2391254 | 90669 | 0 | None | 1 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 427 | 6 | 1 | 5 | 3.2 | COc1cccc(Cc2ccnn(CC(=O)Nc3ccc(Br)cc3)c2=O)c1 | 10.1016/j.ejmech.2013.03.066 | ||
145956276 | 162676 | 0 | None | 1 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 520 | 9 | 3 | 4 | 4.9 | COc1ccc(NC(=O)N[C@H](Cc2ccc(C#N)cc2)C(=O)NCC2(c3ccc(F)c(Cl)c3)CC2)cc1 | 10.1016/j.ejmech.2017.09.023 | ||
CHEMBL4170201 | 162676 | 0 | None | 1 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 520 | 9 | 3 | 4 | 4.9 | COc1ccc(NC(=O)N[C@H](Cc2ccc(C#N)cc2)C(=O)NCC2(c3ccc(F)c(Cl)c3)CC2)cc1 | 10.1016/j.ejmech.2017.09.023 | ||
122488043 | 174266 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 427 | 7 | 1 | 6 | 3.5 | COc1ccc(OC)c(Cc2cc(C)nn(CC(=O)Nc3ccc(Cl)cc3)c2=O)c1 | 10.1021/acs.jmedchem.8b01912 | ||
CHEMBL4549250 | 174266 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 427 | 7 | 1 | 6 | 3.5 | COc1ccc(OC)c(Cc2cc(C)nn(CC(=O)Nc3ccc(Cl)cc3)c2=O)c1 | 10.1021/acs.jmedchem.8b01912 | ||
71698967 | 90676 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 429 | 5 | 1 | 4 | 3.7 | Cc1cc(Cc2cccc(F)c2)c(=O)n(CC(=O)Nc2ccc(Br)cc2)n1 | 10.1016/j.ejmech.2013.03.066 | ||
CHEMBL2391280 | 90676 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 429 | 5 | 1 | 4 | 3.7 | Cc1cc(Cc2cccc(F)c2)c(=O)n(CC(=O)Nc2ccc(Br)cc2)n1 | 10.1016/j.ejmech.2013.03.066 | ||
44236328 | 195676 | 0 | None | -1 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 397 | 6 | 1 | 5 | 3.4 | COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(Cl)cc3)c2=O)c1 | 10.1021/jm900592h | ||
CHEMBL556625 | 195676 | 0 | None | -1 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 397 | 6 | 1 | 5 | 3.4 | COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(Cl)cc3)c2=O)c1 | 10.1021/jm900592h | ||
44236328 | 195676 | 0 | None | -1 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 397 | 6 | 1 | 5 | 3.4 | COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(Cl)cc3)c2=O)c1 | 10.1021/jm900592h | ||
CHEMBL556625 | 195676 | 0 | None | -1 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 397 | 6 | 1 | 5 | 3.4 | COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(Cl)cc3)c2=O)c1 | 10.1021/jm900592h | ||
168269851 | 189966 | 0 | None | -3 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 442 | 5 | 2 | 3 | 4.0 | N#Cc1ccc(C[C@@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2CCc3ccccc3C2)cc1 | 10.1021/acs.jmedchem.1c02203 | ||
CHEMBL5170711 | 189966 | 0 | None | -3 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 442 | 5 | 2 | 3 | 4.0 | N#Cc1ccc(C[C@@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2CCc3ccccc3C2)cc1 | 10.1021/acs.jmedchem.1c02203 | ||
168278228 | 191080 | 0 | None | -3 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 394 | 5 | 2 | 3 | 3.4 | N#Cc1ccc(C[C@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2CCCCC2)cc1 | 10.1021/acs.jmedchem.1c02203 | ||
CHEMBL5187530 | 191080 | 0 | None | -3 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 394 | 5 | 2 | 3 | 3.4 | N#Cc1ccc(C[C@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2CCCCC2)cc1 | 10.1021/acs.jmedchem.1c02203 | ||
71698966 | 90675 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 377 | 5 | 1 | 6 | 2.5 | Cc1cc(Cc2ccccc2)c(=O)n(CC(=O)Nc2ccc3c(c2)OCO3)n1 | 10.1016/j.ejmech.2013.03.066 | ||
CHEMBL2391279 | 90675 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 377 | 5 | 1 | 6 | 2.5 | Cc1cc(Cc2ccccc2)c(=O)n(CC(=O)Nc2ccc3c(c2)OCO3)n1 | 10.1016/j.ejmech.2013.03.066 | ||
168284664 | 191513 | 0 | None | -7 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 488 | 5 | 2 | 3 | 4.9 | CC1(C)CN(C(=O)[C@H](Cc2ccc(C#N)cc2)NC(=O)Nc2ccc(F)cc2)Cc2cc(F)ccc21 | 10.1021/acs.jmedchem.1c02203 | ||
CHEMBL5193947 | 191513 | 0 | None | -7 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 488 | 5 | 2 | 3 | 4.9 | CC1(C)CN(C(=O)[C@H](Cc2ccc(C#N)cc2)NC(=O)Nc2ccc(F)cc2)Cc2cc(F)ccc21 | 10.1021/acs.jmedchem.1c02203 | ||
44236330 | 194830 | 0 | None | -1 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 377 | 6 | 1 | 5 | 3.1 | COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(C)cc3)c2=O)c1 | 10.1021/jm900592h | ||
CHEMBL539401 | 194830 | 0 | None | -1 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 377 | 6 | 1 | 5 | 3.1 | COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(C)cc3)c2=O)c1 | 10.1021/jm900592h | ||
71699065 | 90701 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 519 | 7 | 1 | 6 | 3.4 | COc1cc(Cc2cc(C)nn(CC(=O)Nc3ccc(I)cc3)c2=O)cc(OC)c1 | 10.1016/j.ejmech.2013.03.066 | ||
CHEMBL2391442 | 90701 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 519 | 7 | 1 | 6 | 3.4 | COc1cc(Cc2cc(C)nn(CC(=O)Nc3ccc(I)cc3)c2=O)cc(OC)c1 | 10.1016/j.ejmech.2013.03.066 | ||
44236329 | 195447 | 0 | None | 1 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 381 | 6 | 1 | 5 | 2.9 | COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(F)cc3)c2=O)c1 | 10.1021/jm900592h | ||
CHEMBL552396 | 195447 | 0 | None | 1 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 381 | 6 | 1 | 5 | 2.9 | COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(F)cc3)c2=O)c1 | 10.1021/jm900592h | ||
44233646 | 196423 | 0 | None | 1 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 393 | 7 | 1 | 6 | 2.8 | COc1ccc(NC(=O)Cn2nc(C)cc(Cc3cccc(OC)c3)c2=O)cc1 | 10.1021/jm900592h | ||
CHEMBL562910 | 196423 | 0 | None | 1 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 393 | 7 | 1 | 6 | 2.8 | COc1ccc(NC(=O)Cn2nc(C)cc(Cc3cccc(OC)c3)c2=O)cc1 | 10.1021/jm900592h | ||
164916034 | 191690 | 0 | None | -6 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 437 | 6 | 4 | 4 | 2.2 | N#Cc1ccc(C[C@H](NC(=O)Nc2ccc(F)cc2)C(=O)NC2CCCCNC2=O)cc1 | 10.1021/acs.jmedchem.1c02203 | ||
CHEMBL5196771 | 191690 | 0 | None | -6 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 437 | 6 | 4 | 4 | 2.2 | N#Cc1ccc(C[C@H](NC(=O)Nc2ccc(F)cc2)C(=O)NC2CCCCNC2=O)cc1 | 10.1021/acs.jmedchem.1c02203 | ||
44232925 | 196649 | 2 | None | -2 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 455 | 6 | 1 | 5 | 4.1 | COc1cccc(Cc2cc(C)nn(C(C)C(=O)Nc3ccc(Br)cc3)c2=O)c1 | 10.1021/jm900592h | ||
CHEMBL564392 | 196649 | 2 | None | -2 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 455 | 6 | 1 | 5 | 4.1 | COc1cccc(Cc2cc(C)nn(C(C)C(=O)Nc3ccc(Br)cc3)c2=O)c1 | 10.1021/jm900592h | ||
44232925 | 196649 | 2 | None | -2 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 455 | 6 | 1 | 5 | 4.1 | COc1cccc(Cc2cc(C)nn(C(C)C(=O)Nc3ccc(Br)cc3)c2=O)c1 | 10.1021/jm900592h | ||
CHEMBL564392 | 196649 | 2 | None | -2 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 455 | 6 | 1 | 5 | 4.1 | COc1cccc(Cc2cc(C)nn(C(C)C(=O)Nc3ccc(Br)cc3)c2=O)c1 | 10.1021/jm900592h | ||
71699060 | 90696 | 0 | None | 1 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 417 | 5 | 1 | 5 | 3.6 | Cc1cc(Cc2cccs2)c(=O)n(CC(=O)Nc2ccc(Br)cc2)n1 | 10.1016/j.ejmech.2013.03.066 | ||
CHEMBL2391437 | 90696 | 0 | None | 1 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 417 | 5 | 1 | 5 | 3.6 | Cc1cc(Cc2cccs2)c(=O)n(CC(=O)Nc2ccc(Br)cc2)n1 | 10.1016/j.ejmech.2013.03.066 | ||
71698442 | 90705 | 0 | None | 3 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 336 | 3 | 2 | 5 | 1.5 | Cc1cc(N)c(=O)n(CC(=O)Nc2ccc(Br)cc2)n1 | 10.1016/j.ejmech.2013.03.066 | ||
CHEMBL2391448 | 90705 | 0 | None | 3 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 336 | 3 | 2 | 5 | 1.5 | Cc1cc(N)c(=O)n(CC(=O)Nc2ccc(Br)cc2)n1 | 10.1016/j.ejmech.2013.03.066 | ||
145963525 | 162323 | 0 | None | 2 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 459 | 9 | 3 | 5 | 3.6 | O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H](Cc1cccnc1)C(=O)NCC1(c2ccccc2)CC1 | 10.1016/j.ejmech.2017.09.023 | ||
CHEMBL4164673 | 162323 | 0 | None | 2 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 459 | 9 | 3 | 5 | 3.6 | O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H](Cc1cccnc1)C(=O)NCC1(c2ccccc2)CC1 | 10.1016/j.ejmech.2017.09.023 | ||
146035588 | 170896 | 2 | None | -5 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 453 | 9 | 1 | 5 | 5.2 | CCCCC(C(=O)Nc1ccc(Cl)cc1)n1nc(C)cc(Cc2ccccc2OC)c1=O | 10.1021/acs.jmedchem.8b01912 | ||
CHEMBL4454594 | 170896 | 2 | None | -5 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 453 | 9 | 1 | 5 | 5.2 | CCCCC(C(=O)Nc1ccc(Cl)cc1)n1nc(C)cc(Cc2ccccc2OC)c1=O | 10.1021/acs.jmedchem.8b01912 | ||
CHEMBL6997 | 215866 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)Nc1cccc(C)c1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1021/jm950908d | ||||
71698531 | 90673 | 0 | None | -2 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 503 | 7 | 1 | 5 | 4.9 | COc1cccc(Cc2cc(-c3ccccc3)nn(CC(=O)Nc3ccc(Br)cc3)c2=O)c1 | 10.1016/j.ejmech.2013.03.066 | ||
CHEMBL2391258 | 90673 | 0 | None | -2 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 503 | 7 | 1 | 5 | 4.9 | COc1cccc(Cc2cc(-c3ccccc3)nn(CC(=O)Nc3ccc(Br)cc3)c2=O)c1 | 10.1016/j.ejmech.2013.03.066 | ||
168272319 | 190575 | 0 | None | 1 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 456 | 5 | 2 | 3 | 4.8 | CC1(C)CN(C(=O)[C@@H](Cc2ccc(C#N)cc2)NC(=O)Nc2ccc(F)cc2)c2ccccc21 | 10.1021/acs.jmedchem.1c02203 | ||
CHEMBL5180261 | 190575 | 0 | None | 1 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 456 | 5 | 2 | 3 | 4.8 | CC1(C)CN(C(=O)[C@@H](Cc2ccc(C#N)cc2)NC(=O)Nc2ccc(F)cc2)c2ccccc21 | 10.1021/acs.jmedchem.1c02203 | ||
71699062 | 90698 | 0 | None | -3 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 412 | 5 | 1 | 5 | 2.9 | Cc1cc(Cc2cccnc2)c(=O)n(CC(=O)Nc2ccc(Br)cc2)n1 | 10.1016/j.ejmech.2013.03.066 | ||
CHEMBL2391439 | 90698 | 0 | None | -3 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 412 | 5 | 1 | 5 | 2.9 | Cc1cc(Cc2cccnc2)c(=O)n(CC(=O)Nc2ccc(Br)cc2)n1 | 10.1016/j.ejmech.2013.03.066 | ||
71699143 | 90708 | 0 | None | -3 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 470 | 6 | 2 | 6 | 3.2 | COc1cccc(C(=O)Nc2cc(C)nn(CC(=O)Nc3ccc(Br)cc3)c2=O)c1 | 10.1016/j.ejmech.2013.03.066 | ||
CHEMBL2391450 | 90708 | 0 | None | -3 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 470 | 6 | 2 | 6 | 3.2 | COc1cccc(C(=O)Nc2cc(C)nn(CC(=O)Nc3ccc(Br)cc3)c2=O)c1 | 10.1016/j.ejmech.2013.03.066 | ||
145954612 | 162570 | 0 | None | -2 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 482 | 9 | 4 | 3 | 4.8 | COc1ccc(NC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCC2(c3ccccc3)CC2)cc1 | 10.1016/j.ejmech.2017.09.023 | ||
CHEMBL4168567 | 162570 | 0 | None | -2 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 482 | 9 | 4 | 3 | 4.8 | COc1ccc(NC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCC2(c3ccccc3)CC2)cc1 | 10.1016/j.ejmech.2017.09.023 | ||
122181322 | 121863 | 0 | None | -1 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 525 | 9 | 4 | 4 | 5.3 | COc1ccc(NC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCC2(c3ccccn3)CCCCC2)cc1 | 10.1016/j.bmc.2014.12.007 | ||
CHEMBL3590073 | 121863 | 0 | None | -1 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 525 | 9 | 4 | 4 | 5.3 | COc1ccc(NC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCC2(c3ccccn3)CCCCC2)cc1 | 10.1016/j.bmc.2014.12.007 | ||
71699139 | 90702 | 0 | None | 1 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 493 | 5 | 1 | 4 | 4.0 | Cc1cc(Cc2cccc(Cl)c2)c(=O)n(CC(=O)Nc2ccc(I)cc2)n1 | 10.1016/j.ejmech.2013.03.066 | ||
CHEMBL2391443 | 90702 | 0 | None | 1 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 493 | 5 | 1 | 4 | 4.0 | Cc1cc(Cc2cccc(Cl)c2)c(=O)n(CC(=O)Nc2ccc(I)cc2)n1 | 10.1016/j.ejmech.2013.03.066 | ||
44232924 | 195323 | 0 | None | -1 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 455 | 7 | 1 | 5 | 3.9 | COc1cccc(Cc2cc(C)nn(CCC(=O)Nc3ccc(Br)cc3)c2=O)c1 | 10.1021/jm900592h | ||
CHEMBL551590 | 195323 | 0 | None | -1 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 455 | 7 | 1 | 5 | 3.9 | COc1cccc(Cc2cc(C)nn(CCC(=O)Nc3ccc(Br)cc3)c2=O)c1 | 10.1021/jm900592h | ||
155555363 | 174374 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 439 | 8 | 1 | 5 | 4.8 | CCCC(C(=O)Nc1ccc(Cl)cc1)n1nc(C)cc(Cc2ccccc2OC)c1=O | 10.1021/acs.jmedchem.8b01912 | ||
CHEMBL4551842 | 174374 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 439 | 8 | 1 | 5 | 4.8 | CCCC(C(=O)Nc1ccc(Cl)cc1)n1nc(C)cc(Cc2ccccc2OC)c1=O | 10.1021/acs.jmedchem.8b01912 | ||
CHEMBL1628710 | 56274 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2011.03.049 | ||||
CHEMBL6450 | 215854 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | None | None | None | CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1021/jm950908d | ||||
57399909 | 68286 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 452 | 6 | 2 | 5 | 4.3 | Cc1ccc(S(=O)(=O)Nc2c(C(=O)NC3CCCCC3C)cnn2-c2ccccc2)cc1 | 10.1016/j.bmcl.2011.08.085 | ||
CHEMBL1916276 | 68286 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 452 | 6 | 2 | 5 | 4.3 | Cc1ccc(S(=O)(=O)Nc2c(C(=O)NC3CCCCC3C)cnn2-c2ccccc2)cc1 | 10.1016/j.bmcl.2011.08.085 | ||
57398259 | 68295 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 446 | 6 | 2 | 5 | 4.4 | Cc1nn(-c2ccccc2)c(NS(=O)(=O)C2CCCCC2)c1C(=O)N[C@@H](C)C(C)(C)C | 10.1016/j.bmcl.2011.08.085 | ||
CHEMBL1916286 | 68295 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 446 | 6 | 2 | 5 | 4.4 | Cc1nn(-c2ccccc2)c(NS(=O)(=O)C2CCCCC2)c1C(=O)N[C@@H](C)C(C)(C)C | 10.1016/j.bmcl.2011.08.085 | ||
57394708 | 68296 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 459 | 6 | 2 | 6 | 3.7 | Cc1nn(-c2ccc(F)cc2)c(NS(=O)(=O)c2cccnc2)c1C(=O)N[C@@H](C)C(C)(C)C | 10.1016/j.bmcl.2011.08.085 | ||
CHEMBL1916287 | 68296 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 459 | 6 | 2 | 6 | 3.7 | Cc1nn(-c2ccc(F)cc2)c(NS(=O)(=O)c2cccnc2)c1C(=O)N[C@@H](C)C(C)(C)C | 10.1016/j.bmcl.2011.08.085 | ||
57396213 | 69571 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 420 | 6 | 2 | 5 | 4.0 | Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@@H](C)C(C)(C)C)c(C)nn2C(C)C)cc1 | 10.1016/j.bmcl.2011.10.090 | ||
CHEMBL1934267 | 69571 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 420 | 6 | 2 | 5 | 4.0 | Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@@H](C)C(C)(C)C)c(C)nn2C(C)C)cc1 | 10.1016/j.bmcl.2011.10.090 | ||
57390868 | 69595 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 448 | 6 | 2 | 6 | 3.4 | Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@@H](C)C(C)(C)C)c(C)nn2C2CCOC2)cc1 | 10.1016/j.bmcl.2011.10.090 | ||
CHEMBL1934423 | 69595 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 448 | 6 | 2 | 6 | 3.4 | Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@@H](C)C(C)(C)C)c(C)nn2C2CCOC2)cc1 | 10.1016/j.bmcl.2011.10.090 | ||
54580795 | 61476 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 424 | 8 | 2 | 6 | 4.6 | CCOc1ccc2oc(C(=O)NC(CCSC)c3nc4cnccc4[nH]3)c(C)c2c1 | 10.1016/j.bmcl.2011.03.049 | ||
CHEMBL1770476 | 61476 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 424 | 8 | 2 | 6 | 4.6 | CCOc1ccc2oc(C(=O)NC(CCSC)c3nc4cnccc4[nH]3)c(C)c2c1 | 10.1016/j.bmcl.2011.03.049 | ||
54580798 | 61482 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 391 | 7 | 2 | 4 | 5.3 | CCC[C@H](NC(=O)c1oc2ccc(OCC)cc2c1C)c1nc2ccccc2[nH]1 | 10.1016/j.bmcl.2011.03.049 | ||
CHEMBL1770484 | 61482 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 391 | 7 | 2 | 4 | 5.3 | CCC[C@H](NC(=O)c1oc2ccc(OCC)cc2c1C)c1nc2ccccc2[nH]1 | 10.1016/j.bmcl.2011.03.049 | ||
2528 | 3700 | 85 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 404 | 6 | 0 | 3 | 3.8 | O=C1N(c2ccccc2)N(C(=O)C1CCS(=O)c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2011.03.049 | ||
5342 | 3700 | 85 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 404 | 6 | 0 | 3 | 3.8 | O=C1N(c2ccccc2)N(C(=O)C1CCS(=O)c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2011.03.049 | ||
5826 | 3700 | 85 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 404 | 6 | 0 | 3 | 3.8 | O=C1N(c2ccccc2)N(C(=O)C1CCS(=O)c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2011.03.049 | ||
CHEMBL832 | 3700 | 85 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 404 | 6 | 0 | 3 | 3.8 | O=C1N(c2ccccc2)N(C(=O)C1CCS(=O)c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2011.03.049 | ||
DB01138 | 3700 | 85 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 404 | 6 | 0 | 3 | 3.8 | O=C1N(c2ccccc2)N(C(=O)C1CCS(=O)c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2011.03.049 | ||
57394598 | 68250 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 446 | 7 | 2 | 5 | 3.9 | Cc1ccc(S(=O)(=O)Nc2c(C(=O)NCc3ccccc3)cnn2-c2ccccc2)cc1 | 10.1016/j.bmcl.2011.08.085 | ||
CHEMBL1916086 | 68250 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 446 | 7 | 2 | 5 | 3.9 | Cc1ccc(S(=O)(=O)Nc2c(C(=O)NCc3ccccc3)cnn2-c2ccccc2)cc1 | 10.1016/j.bmcl.2011.08.085 | ||
57401587 | 68267 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 440 | 6 | 2 | 6 | 2.9 | Cc1ccc(S(=O)(=O)Nc2c(C(=O)NC3CCOCC3)cnn2-c2ccccc2)cc1 | 10.1016/j.bmcl.2011.08.085 | ||
CHEMBL1916257 | 68267 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 440 | 6 | 2 | 6 | 2.9 | Cc1ccc(S(=O)(=O)Nc2c(C(=O)NC3CCOCC3)cnn2-c2ccccc2)cc1 | 10.1016/j.bmcl.2011.08.085 | ||
57394706 | 68273 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 426 | 8 | 2 | 5 | 3.9 | CCC(CC)NC(=O)c1cn(-c2ccccc2)nc1NS(=O)(=O)c1ccc(C)cc1 | 10.1016/j.bmcl.2011.08.085 | ||
CHEMBL1916263 | 68273 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 426 | 8 | 2 | 5 | 3.9 | CCC(CC)NC(=O)c1cn(-c2ccccc2)nc1NS(=O)(=O)c1ccc(C)cc1 | 10.1016/j.bmcl.2011.08.085 | ||
57401680 | 68274 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 460 | 8 | 2 | 5 | 4.6 | CCC(CC)NC(=O)c1cnn(-c2ccccc2Cl)c1NS(=O)(=O)c1ccc(C)cc1 | 10.1016/j.bmcl.2011.08.085 | ||
CHEMBL1916264 | 68274 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 460 | 8 | 2 | 5 | 4.6 | CCC(CC)NC(=O)c1cnn(-c2ccccc2Cl)c1NS(=O)(=O)c1ccc(C)cc1 | 10.1016/j.bmcl.2011.08.085 | ||
57403415 | 68278 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 392 | 8 | 2 | 5 | 3.5 | CCC(CC)NC(=O)c1cnn(C(C)C)c1NS(=O)(=O)c1ccc(C)cc1 | 10.1016/j.bmcl.2011.08.085 | ||
CHEMBL1916268 | 68278 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 392 | 8 | 2 | 5 | 3.5 | CCC(CC)NC(=O)c1cnn(C(C)C)c1NS(=O)(=O)c1ccc(C)cc1 | 10.1016/j.bmcl.2011.08.085 | ||
57397970 | 69591 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 510 | 6 | 2 | 7 | 3.2 | Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@@H](C)C(C)(C)C)c(C)nn2C2CCS(=O)(=O)CC2)cc1 | 10.1016/j.bmcl.2011.10.090 | ||
CHEMBL1934419 | 69591 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 510 | 6 | 2 | 7 | 3.2 | Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@@H](C)C(C)(C)C)c(C)nn2C2CCS(=O)(=O)CC2)cc1 | 10.1016/j.bmcl.2011.10.090 | ||
54586641 | 61414 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 388 | 5 | 2 | 3 | 4.5 | Cc1cccc(C)c1NC(=O)C(c1ccccc1)N(C)C(=O)c1ccccc1O | 10.1016/j.bmcl.2011.03.049 | ||
CHEMBL1770308 | 61414 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 388 | 5 | 2 | 3 | 4.5 | Cc1cccc(C)c1NC(=O)C(c1ccccc1)N(C)C(=O)c1ccccc1O | 10.1016/j.bmcl.2011.03.049 | ||
24244526 | 61470 | 3 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 327 | 6 | 2 | 5 | 2.6 | CSCCC(NC(=O)c1cnccn1)c1nc2ccccc2[nH]1 | 10.1016/j.bmcl.2011.03.049 | ||
CHEMBL1770469 | 61470 | 3 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 327 | 6 | 2 | 5 | 2.6 | CSCCC(NC(=O)c1cnccn1)c1nc2ccccc2[nH]1 | 10.1016/j.bmcl.2011.03.049 | ||
54583762 | 61471 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 330 | 6 | 2 | 5 | 3.1 | CSCCC(NC(=O)c1ocnc1C)c1nc2ccccc2[nH]1 | 10.1016/j.bmcl.2011.03.049 | ||
CHEMBL1770470 | 61471 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 330 | 6 | 2 | 5 | 3.1 | CSCCC(NC(=O)c1ocnc1C)c1nc2ccccc2[nH]1 | 10.1016/j.bmcl.2011.03.049 | ||
5126271 | 61473 | 1 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 339 | 6 | 2 | 3 | 4.1 | CSCCC(NC(=O)c1ccc(C)cc1)c1nc2ccccc2[nH]1 | 10.1016/j.bmcl.2011.03.049 | ||
CHEMBL1770472 | 61473 | 1 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 339 | 6 | 2 | 3 | 4.1 | CSCCC(NC(=O)c1ccc(C)cc1)c1nc2ccccc2[nH]1 | 10.1016/j.bmcl.2011.03.049 | ||
54582778 | 61481 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 441 | 7 | 2 | 6 | 3.5 | CCOc1ccc2oc(C(=O)NC(CS(C)(=O)=O)c3nc4ccccc4[nH]3)c(C)c2c1 | 10.1016/j.bmcl.2011.03.049 | ||
CHEMBL1770482 | 61481 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 441 | 7 | 2 | 6 | 3.5 | CCOc1ccc2oc(C(=O)NC(CS(C)(=O)=O)c3nc4ccccc4[nH]3)c(C)c2c1 | 10.1016/j.bmcl.2011.03.049 | ||
155517073 | 170162 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 469 | 9 | 3 | 4 | 3.4 | COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1 | 10.1039/C9MD00336C | ||
CHEMBL4444413 | 170162 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 469 | 9 | 3 | 4 | 3.4 | COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1 | 10.1039/C9MD00336C | ||
155529906 | 171472 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 421 | 8 | 3 | 4 | 2.8 | COC(=O)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1)C(C)C | 10.1039/C9MD00336C | ||
CHEMBL4463562 | 171472 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 421 | 8 | 3 | 4 | 2.8 | COC(=O)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1)C(C)C | 10.1039/C9MD00336C | ||
57398260 | 68298 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 526 | 6 | 2 | 5 | 5.3 | Cc1nn(-c2ccc(F)cc2)c(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1C(=O)N[C@@H](C)C(C)(C)C | 10.1016/j.bmcl.2011.08.085 | ||
CHEMBL1916289 | 68298 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 526 | 6 | 2 | 5 | 5.3 | Cc1nn(-c2ccc(F)cc2)c(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1C(=O)N[C@@H](C)C(C)(C)C | 10.1016/j.bmcl.2011.08.085 | ||
71698276 | 173799 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 475 | 9 | 3 | 4 | 4.1 | COC(=O)[C@@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1 | 10.1039/C9MD00336C | ||
CHEMBL4538076 | 173799 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 475 | 9 | 3 | 4 | 4.1 | COC(=O)[C@@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1 | 10.1039/C9MD00336C | ||
57398258 | 68291 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 454 | 6 | 2 | 5 | 4.5 | Cc1ccc(S(=O)(=O)Nc2c(C(=O)NC(C)C(C)(C)C)c(C)nn2-c2ccccc2)cc1 | 10.1016/j.bmcl.2011.08.085 | ||
CHEMBL1916281 | 68291 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 454 | 6 | 2 | 5 | 4.5 | Cc1ccc(S(=O)(=O)Nc2c(C(=O)NC(C)C(C)(C)C)c(C)nn2-c2ccccc2)cc1 | 10.1016/j.bmcl.2011.08.085 | ||
3089940 | 61390 | 2 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 374 | 5 | 3 | 3 | 4.1 | Cc1cccc(C)c1NC(=O)C(NC(=O)c1ccccc1O)c1ccccc1 | 10.1016/j.bmcl.2011.03.049 | ||
CHEMBL1770153 | 61390 | 2 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 374 | 5 | 3 | 3 | 4.1 | Cc1cccc(C)c1NC(=O)C(NC(=O)c1ccccc1O)c1ccccc1 | 10.1016/j.bmcl.2011.03.049 | ||
92263206 | 174173 | 0 | None | -1 | 2 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 465 | 8 | 3 | 5 | 3.5 | COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C | 10.1039/C9MD00336C | ||
CHEMBL4547265 | 174173 | 0 | None | -1 | 2 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 465 | 8 | 3 | 5 | 3.5 | COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C | 10.1039/C9MD00336C | ||
118707168 | 113021 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 893 | 22 | 6 | 8 | 6.6 | CC(C)C[C@@H](NC(=O)[C@H](CC1=CCCCC1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(C(=O)c2ccccc2)cc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1016/j.bmc.2014.06.048 | ||
CHEMBL3311300 | 113021 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 893 | 22 | 6 | 8 | 6.6 | CC(C)C[C@@H](NC(=O)[C@H](CC1=CCCCC1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(C(=O)c2ccccc2)cc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1016/j.bmc.2014.06.048 | ||
155524563 | 170925 | 0 | None | -1 | 2 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 435 | 9 | 3 | 4 | 3.2 | COC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1 | 10.1039/C9MD00336C | ||
CHEMBL4455225 | 170925 | 0 | None | -1 | 2 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 435 | 9 | 3 | 4 | 3.2 | COC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1 | 10.1039/C9MD00336C | ||
168286767 | 191682 | 0 | None | -53 | 2 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 442 | 5 | 2 | 3 | 4.0 | N#Cc1ccc(C[C@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2CCc3ccccc3C2)cc1 | 10.1021/acs.jmedchem.1c02203 | ||
CHEMBL5196551 | 191682 | 0 | None | -53 | 2 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 442 | 5 | 2 | 3 | 4.0 | N#Cc1ccc(C[C@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2CCc3ccccc3C2)cc1 | 10.1021/acs.jmedchem.1c02203 | ||
4329947 | 2501 | 1 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 423 | 8 | 2 | 5 | 5.2 | CSCCC(c1nc2c([nH]1)cccc2)NC(=O)c1oc2c(c1C)cc(cc2)OCC | 10.1016/j.bmcl.2011.03.049 | ||
5829 | 2501 | 1 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 423 | 8 | 2 | 5 | 5.2 | CSCCC(c1nc2c([nH]1)cccc2)NC(=O)c1oc2c(c1C)cc(cc2)OCC | 10.1016/j.bmcl.2011.03.049 | ||
CHEMBL1770297 | 2501 | 1 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 423 | 8 | 2 | 5 | 5.2 | CSCCC(c1nc2c([nH]1)cccc2)NC(=O)c1oc2c(c1C)cc(cc2)OCC | 10.1016/j.bmcl.2011.03.049 | ||
57392963 | 68287 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 466 | 6 | 2 | 5 | 4.6 | Cc1ccc(S(=O)(=O)Nc2c(C(=O)NC3CCCCC3C)c(C)nn2-c2ccccc2)cc1 | 10.1016/j.bmcl.2011.08.085 | ||
CHEMBL1916277 | 68287 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 466 | 6 | 2 | 5 | 4.6 | Cc1ccc(S(=O)(=O)Nc2c(C(=O)NC3CCCCC3C)c(C)nn2-c2ccccc2)cc1 | 10.1016/j.bmcl.2011.08.085 | ||
57399910 | 68290 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 426 | 7 | 2 | 5 | 3.8 | CCC(C)NC(=O)c1c(C)nn(-c2ccccc2)c1NS(=O)(=O)c1ccc(C)cc1 | 10.1016/j.bmcl.2011.08.085 | ||
CHEMBL1916280 | 68290 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 426 | 7 | 2 | 5 | 3.8 | CCC(C)NC(=O)c1c(C)nn(-c2ccccc2)c1NS(=O)(=O)c1ccc(C)cc1 | 10.1016/j.bmcl.2011.08.085 | ||
56949966 | 69597 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 488 | 7 | 2 | 6 | 4.4 | Cc1nn(C2CCOCC2)c(NS(=O)(=O)c2ccc(C3CC3)cc2)c1C(=O)N[C@@H](C)C(C)(C)C | 10.1016/j.bmcl.2011.10.090 | ||
CHEMBL1934426 | 69597 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 488 | 7 | 2 | 6 | 4.4 | Cc1nn(C2CCOCC2)c(NS(=O)(=O)c2ccc(C3CC3)cc2)c1C(=O)N[C@@H](C)C(C)(C)C | 10.1016/j.bmcl.2011.10.090 | ||
53233899 | 1411 | 0 | None | 69 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 394 | 5 | 3 | 4 | 4.5 | Cc1ccc(s1)C(C(=O)Nc1c(C)cccc1C)NC(=O)c1ccccc1O | 10.1016/j.bmcl.2011.03.049 | ||
5830 | 1411 | 0 | None | 69 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 394 | 5 | 3 | 4 | 4.5 | Cc1ccc(s1)C(C(=O)Nc1c(C)cccc1C)NC(=O)c1ccccc1O | 10.1016/j.bmcl.2011.03.049 | ||
CHEMBL1770298 | 1411 | 0 | None | 69 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 394 | 5 | 3 | 4 | 4.5 | Cc1ccc(s1)C(C(=O)Nc1c(C)cccc1C)NC(=O)c1ccccc1O | 10.1016/j.bmcl.2011.03.049 | ||
57392872 | 68249 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 452 | 6 | 1 | 5 | 4.4 | Cc1ccc(S(=O)(=O)Nc2c(C(=O)N(C)C3CCCCC3)cnn2-c2ccccc2)cc1 | 10.1016/j.bmcl.2011.08.085 | ||
CHEMBL1916085 | 68249 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 452 | 6 | 1 | 5 | 4.4 | Cc1ccc(S(=O)(=O)Nc2c(C(=O)N(C)C3CCCCC3)cnn2-c2ccccc2)cc1 | 10.1016/j.bmcl.2011.08.085 | ||
57399908 | 68272 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 426 | 8 | 2 | 5 | 3.9 | CCC(CC)NC(=O)c1ncn(-c2ccccc2)c1NS(=O)(=O)c1ccc(C)cc1 | 10.1016/j.bmcl.2011.08.085 | ||
CHEMBL1916262 | 68272 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 426 | 8 | 2 | 5 | 3.9 | CCC(CC)NC(=O)c1ncn(-c2ccccc2)c1NS(=O)(=O)c1ccc(C)cc1 | 10.1016/j.bmcl.2011.08.085 | ||
57399672 | 69574 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 434 | 5 | 2 | 5 | 4.2 | Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@@H](C)C(C)(C)C)c(C)nn2C(C)(C)C)cc1 | 10.1016/j.bmcl.2011.10.090 | ||
CHEMBL1934270 | 69574 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 434 | 5 | 2 | 5 | 4.2 | Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@@H](C)C(C)(C)C)c(C)nn2C(C)(C)C)cc1 | 10.1016/j.bmcl.2011.10.090 | ||
54581781 | 61409 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 378 | 5 | 3 | 5 | 2.9 | Cc1cccc(C)c1NC(=O)C(NC(=O)c1ccccc1O)c1cn(C)cn1 | 10.1016/j.bmcl.2011.03.049 | ||
CHEMBL1770301 | 61409 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 378 | 5 | 3 | 5 | 2.9 | Cc1cccc(C)c1NC(=O)C(NC(=O)c1ccccc1O)c1cn(C)cn1 | 10.1016/j.bmcl.2011.03.049 | ||
57396467 | 68275 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 451 | 8 | 2 | 6 | 3.8 | CCC(CC)NC(=O)c1cnn(-c2ccc(C#N)cc2)c1NS(=O)(=O)c1ccc(C)cc1 | 10.1016/j.bmcl.2011.08.085 | ||
CHEMBL1916265 | 68275 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 451 | 8 | 2 | 6 | 3.8 | CCC(CC)NC(=O)c1cnn(-c2ccc(C#N)cc2)c1NS(=O)(=O)c1ccc(C)cc1 | 10.1016/j.bmcl.2011.08.085 | ||
CHEMBL6997 | 215866 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)Nc1cccc(C)c1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1021/jm950908d | ||||
117993763 | 171604 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 469 | 9 | 3 | 4 | 3.4 | COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1 | 10.1039/C9MD00336C | ||
CHEMBL4465341 | 171604 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 469 | 9 | 3 | 4 | 3.4 | COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1 | 10.1039/C9MD00336C | ||
92263206 | 174173 | 0 | None | -1 | 2 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 465 | 8 | 3 | 5 | 3.5 | COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C | 10.1039/C9MD00336C | ||
CHEMBL4547265 | 174173 | 0 | None | -1 | 2 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 465 | 8 | 3 | 5 | 3.5 | COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C | 10.1039/C9MD00336C | ||
168281597 | 191270 | 0 | None | -50 | 2 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 442 | 5 | 2 | 3 | 4.4 | N#Cc1ccc(C[C@@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2CCCc3ccccc32)cc1 | 10.1021/acs.jmedchem.1c02203 | ||
CHEMBL5190571 | 191270 | 0 | None | -50 | 2 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 442 | 5 | 2 | 3 | 4.4 | N#Cc1ccc(C[C@@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2CCCc3ccccc32)cc1 | 10.1021/acs.jmedchem.1c02203 | ||
164916036 | 191587 | 0 | None | -147 | 2 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 428 | 5 | 2 | 3 | 4.0 | N#Cc1ccc(C[C@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2CCc3ccccc32)cc1 | 10.1021/acs.jmedchem.1c02203 | ||
CHEMBL5195186 | 191587 | 0 | None | -147 | 2 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 428 | 5 | 2 | 3 | 4.0 | N#Cc1ccc(C[C@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2CCc3ccccc32)cc1 | 10.1021/acs.jmedchem.1c02203 | ||
71697968 | 174571 | 21 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 469 | 9 | 3 | 4 | 3.4 | COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1 | 10.1039/C9MD00336C | ||
CHEMBL4556626 | 174571 | 21 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 469 | 9 | 3 | 4 | 3.4 | COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1 | 10.1039/C9MD00336C | ||
155510570 | 174031 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 449 | 10 | 3 | 4 | 3.1 | COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC(C)C | 10.1039/C9MD00336C | ||
CHEMBL4543372 | 174031 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 449 | 10 | 3 | 4 | 3.1 | COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC(C)C | 10.1039/C9MD00336C | ||
57401368 | 69585 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 432 | 6 | 2 | 5 | 4.2 | Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@@H](C)C(C)(C)C)c(C)nn2C2CCC2)cc1 | 10.1016/j.bmcl.2011.10.090 | ||
CHEMBL1934413 | 69585 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 432 | 6 | 2 | 5 | 4.2 | Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@@H](C)C(C)(C)C)c(C)nn2C2CCC2)cc1 | 10.1016/j.bmcl.2011.10.090 | ||
57399796 | 68247 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 426 | 8 | 2 | 5 | 3.9 | CCC(CC)NC(=O)c1cnn(-c2ccccc2)c1NS(=O)(=O)c1ccc(C)cc1 | 10.1016/j.bmcl.2011.08.085 | ||
CHEMBL1916082 | 68247 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 426 | 8 | 2 | 5 | 3.9 | CCC(CC)NC(=O)c1cnn(-c2ccccc2)c1NS(=O)(=O)c1ccc(C)cc1 | 10.1016/j.bmcl.2011.08.085 | ||
57401684 | 68289 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 440 | 6 | 2 | 5 | 4.1 | Cc1ccc(S(=O)(=O)Nc2c(C(=O)NCC(C)(C)C)c(C)nn2-c2ccccc2)cc1 | 10.1016/j.bmcl.2011.08.085 | ||
CHEMBL1916279 | 68289 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 440 | 6 | 2 | 5 | 4.1 | Cc1ccc(S(=O)(=O)Nc2c(C(=O)NCC(C)(C)C)c(C)nn2-c2ccccc2)cc1 | 10.1016/j.bmcl.2011.08.085 | ||
54581826 | 61472 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 365 | 6 | 2 | 4 | 4.5 | CSCCC(NC(=O)c1sccc1Cl)c1nc2ccccc2[nH]1 | 10.1016/j.bmcl.2011.03.049 | ||
CHEMBL1770471 | 61472 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 365 | 6 | 2 | 4 | 4.5 | CSCCC(NC(=O)c1sccc1Cl)c1nc2ccccc2[nH]1 | 10.1016/j.bmcl.2011.03.049 | ||
57398252 | 68276 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 427 | 8 | 2 | 6 | 3.3 | CCC(CC)NC(=O)c1cnn(-c2ccccn2)c1NS(=O)(=O)c1ccc(C)cc1 | 10.1016/j.bmcl.2011.08.085 | ||
CHEMBL1916266 | 68276 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 427 | 8 | 2 | 6 | 3.3 | CCC(CC)NC(=O)c1cnn(-c2ccccn2)c1NS(=O)(=O)c1ccc(C)cc1 | 10.1016/j.bmcl.2011.08.085 | ||
CHEMBL7486 | 215874 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | None | None | None | Cc1cccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)c1 | 10.1021/jm950908d | ||||
CHEMBL3311030 | 211338 | 26 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | None | None | None | CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1016/j.bmc.2014.06.048 | ||||
10579232 | 203736 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 586 | 14 | 5 | 5 | 3.7 | CSCC[C@H](NC(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1021/jm950908d | ||
CHEMBL6779 | 203736 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 586 | 14 | 5 | 5 | 3.7 | CSCC[C@H](NC(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1021/jm950908d | ||
CHEMBL415299 | 213182 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)NC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1021/jm950908d | ||||
CHEMBL7181 | 215869 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | None | None | None | CNC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1021/jm950908d | ||||
168278228 | 191080 | 0 | None | -3 | 2 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 394 | 5 | 2 | 3 | 3.4 | N#Cc1ccc(C[C@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2CCCCC2)cc1 | 10.1021/acs.jmedchem.1c02203 | ||
CHEMBL5187530 | 191080 | 0 | None | -3 | 2 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 394 | 5 | 2 | 3 | 3.4 | N#Cc1ccc(C[C@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2CCCCC2)cc1 | 10.1021/acs.jmedchem.1c02203 | ||
155517009 | 170155 | 0 | None | 3 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 469 | 9 | 3 | 4 | 3.4 | COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1 | 10.1039/C9MD00336C | ||
CHEMBL4444320 | 170155 | 0 | None | 3 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 469 | 9 | 3 | 4 | 3.4 | COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1 | 10.1039/C9MD00336C | ||
168279295 | 191046 | 0 | None | -91 | 2 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 442 | 5 | 2 | 3 | 4.4 | N#Cc1ccc(C[C@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2CCCc3ccccc32)cc1 | 10.1021/acs.jmedchem.1c02203 | ||
CHEMBL5187135 | 191046 | 0 | None | -91 | 2 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 442 | 5 | 2 | 3 | 4.4 | N#Cc1ccc(C[C@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2CCCc3ccccc32)cc1 | 10.1021/acs.jmedchem.1c02203 | ||
155524563 | 170925 | 0 | None | -1 | 2 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 435 | 9 | 3 | 4 | 3.2 | COC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1 | 10.1039/C9MD00336C | ||
CHEMBL4455225 | 170925 | 0 | None | -1 | 2 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 435 | 9 | 3 | 4 | 3.2 | COC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1 | 10.1039/C9MD00336C | ||
57403416 | 68294 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 508 | 6 | 2 | 5 | 5.2 | Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@@H](C)C(C)(C)C)c(C(F)(F)F)nn2-c2ccccc2)cc1 | 10.1016/j.bmcl.2011.08.085 | ||
CHEMBL1916284 | 68294 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 508 | 6 | 2 | 5 | 5.2 | Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@@H](C)C(C)(C)C)c(C(F)(F)F)nn2-c2ccccc2)cc1 | 10.1016/j.bmcl.2011.08.085 | ||
54752118 | 68297 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 483 | 6 | 2 | 6 | 4.2 | Cc1nn(-c2ccc(F)cc2)c(NS(=O)(=O)c2ccc(C#N)cc2)c1C(=O)N[C@@H](C)C(C)(C)C | 10.1016/j.bmcl.2011.08.085 | ||
CHEMBL1916288 | 68297 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 483 | 6 | 2 | 6 | 4.2 | Cc1nn(-c2ccc(F)cc2)c(NS(=O)(=O)c2ccc(C#N)cc2)c1C(=O)N[C@@H](C)C(C)(C)C | 10.1016/j.bmcl.2011.08.085 | ||
54752118 | 68297 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 483 | 6 | 2 | 6 | 4.2 | Cc1nn(-c2ccc(F)cc2)c(NS(=O)(=O)c2ccc(C#N)cc2)c1C(=O)N[C@@H](C)C(C)(C)C | 10.1016/j.bmcl.2011.10.090 | ||
CHEMBL1916288 | 68297 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 483 | 6 | 2 | 6 | 4.2 | Cc1nn(-c2ccc(F)cc2)c(NS(=O)(=O)c2ccc(C#N)cc2)c1C(=O)N[C@@H](C)C(C)(C)C | 10.1016/j.bmcl.2011.10.090 | ||
CHEMBL1770296 | 208879 | 33 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1016/j.bmcl.2011.03.049 | ||||
57401370 | 69588 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 450 | 8 | 2 | 6 | 3.7 | COCC(C)n1nc(C)c(C(=O)N[C@@H](C)C(C)(C)C)c1NS(=O)(=O)c1ccc(C)cc1 | 10.1016/j.bmcl.2011.10.090 | ||
CHEMBL1934416 | 69588 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 450 | 8 | 2 | 6 | 3.7 | COCC(C)n1nc(C)c(C(=O)N[C@@H](C)C(C)(C)C)c1NS(=O)(=O)c1ccc(C)cc1 | 10.1016/j.bmcl.2011.10.090 | ||
4652862 | 47517 | 12 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 331 | 6 | 2 | 3 | 4.1 | CSCCC(NC(=O)C1CCCCC1)c1nc2ccccc2[nH]1 | 10.1016/j.bmcl.2011.03.049 | ||
CHEMBL1545798 | 47517 | 12 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 331 | 6 | 2 | 3 | 4.1 | CSCCC(NC(=O)C1CCCCC1)c1nc2ccccc2[nH]1 | 10.1016/j.bmcl.2011.03.049 | ||
54587661 | 61412 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 386 | 5 | 3 | 3 | 4.0 | O=C(NC(C(=O)NC1CCCCC1)c1ccc(Cl)cc1)c1ccccc1O | 10.1016/j.bmcl.2011.03.049 | ||
CHEMBL1770304 | 61412 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 386 | 5 | 3 | 3 | 4.0 | O=C(NC(C(=O)NC1CCCCC1)c1ccc(Cl)cc1)c1ccccc1O | 10.1016/j.bmcl.2011.03.049 | ||
54586640 | 61413 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 460 | 5 | 3 | 4 | 4.3 | Cc1cccc(C)c1NC(=O)C(NC(=O)c1nc2ccccc2[nH]c1=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2011.03.049 | ||
CHEMBL1770307 | 61413 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 460 | 5 | 3 | 4 | 4.3 | Cc1cccc(C)c1NC(=O)C(NC(=O)c1nc2ccccc2[nH]c1=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2011.03.049 | ||
3825824 | 61474 | 12 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 415 | 8 | 1 | 4 | 5.3 | CSCCC(NC(=O)c1ccccc1)c1nc2ccccc2n1Cc1ccccc1 | 10.1016/j.bmcl.2011.03.049 | ||
CHEMBL1770474 | 61474 | 12 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 415 | 8 | 1 | 4 | 5.3 | CSCCC(NC(=O)c1ccccc1)c1nc2ccccc2n1Cc1ccccc1 | 10.1016/j.bmcl.2011.03.049 | ||
57403176 | 69570 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 406 | 8 | 2 | 5 | 3.8 | CCC(CC)NC(=O)c1c(C)nn(C(C)C)c1NS(=O)(=O)c1ccc(C)cc1 | 10.1016/j.bmcl.2011.10.090 | ||
CHEMBL1934266 | 69570 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 406 | 8 | 2 | 5 | 3.8 | CCC(CC)NC(=O)c1c(C)nn(C(C)C)c1NS(=O)(=O)c1ccc(C)cc1 | 10.1016/j.bmcl.2011.10.090 | ||
53233899 | 1411 | 0 | None | -69 | 2 | Mouse | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 394 | 5 | 3 | 4 | 4.5 | Cc1ccc(s1)C(C(=O)Nc1c(C)cccc1C)NC(=O)c1ccccc1O | 10.1016/j.bmcl.2011.03.049 | ||
5830 | 1411 | 0 | None | -69 | 2 | Mouse | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 394 | 5 | 3 | 4 | 4.5 | Cc1ccc(s1)C(C(=O)Nc1c(C)cccc1C)NC(=O)c1ccccc1O | 10.1016/j.bmcl.2011.03.049 | ||
CHEMBL1770298 | 1411 | 0 | None | -69 | 2 | Mouse | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 394 | 5 | 3 | 4 | 4.5 | Cc1ccc(s1)C(C(=O)Nc1c(C)cccc1C)NC(=O)c1ccccc1O | 10.1016/j.bmcl.2011.03.049 | ||
155529906 | 171472 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 421 | 8 | 3 | 4 | 2.8 | COC(=O)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1)C(C)C | 10.1039/C9MD00336C | ||
CHEMBL4463562 | 171472 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 421 | 8 | 3 | 4 | 2.8 | COC(=O)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1)C(C)C | 10.1039/C9MD00336C | ||
168280238 | 190954 | 0 | None | -6 | 2 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 428 | 5 | 2 | 3 | 4.0 | N#Cc1ccc(C[C@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2Cc3ccccc3C2)cc1 | 10.1021/acs.jmedchem.1c02203 | ||
CHEMBL5185921 | 190954 | 0 | None | -6 | 2 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 428 | 5 | 2 | 3 | 4.0 | N#Cc1ccc(C[C@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2Cc3ccccc3C2)cc1 | 10.1021/acs.jmedchem.1c02203 | ||
155510570 | 174031 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 449 | 10 | 3 | 4 | 3.1 | COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC(C)C | 10.1039/C9MD00336C | ||
CHEMBL4543372 | 174031 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 449 | 10 | 3 | 4 | 3.1 | COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC(C)C | 10.1039/C9MD00336C | ||
56949822 | 69596 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 490 | 7 | 2 | 6 | 4.6 | CO[C@H]1CC[C@@H](n2nc(C)c(C(=O)N[C@@H](C)C(C)(C)C)c2NS(=O)(=O)c2ccc(C)cc2)CC1 | 10.1016/j.bmcl.2011.10.090 | ||
CHEMBL1934424 | 69596 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 490 | 7 | 2 | 6 | 4.6 | CO[C@H]1CC[C@@H](n2nc(C)c(C(=O)N[C@@H](C)C(C)(C)C)c2NS(=O)(=O)c2ccc(C)cc2)CC1 | 10.1016/j.bmcl.2011.10.090 | ||
9988173 | 161916 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 862 | 21 | 7 | 6 | 5.5 | CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1021/jm950908d | ||
CHEMBL415296 | 161916 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 862 | 21 | 7 | 6 | 5.5 | CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1021/jm950908d | ||
CHEMBL266448 | 210684 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | None | None | None | CCCNC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1021/jm950908d | ||||
CHEMBL7214 | 215870 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | None | None | None | CCNC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1021/jm950908d | ||||
168278342 | 191151 | 0 | None | 1 | 2 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 394 | 5 | 2 | 3 | 3.4 | N#Cc1ccc(C[C@@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2CCCCC2)cc1 | 10.1021/acs.jmedchem.1c02203 | ||
CHEMBL5188537 | 191151 | 0 | None | 1 | 2 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 394 | 5 | 2 | 3 | 3.4 | N#Cc1ccc(C[C@@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2CCCCC2)cc1 | 10.1021/acs.jmedchem.1c02203 | ||
57390867 | 69587 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 460 | 6 | 2 | 5 | 5.0 | Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@@H](C)C(C)(C)C)c(C)nn2C2CCCCC2)cc1 | 10.1016/j.bmcl.2011.10.090 | ||
CHEMBL1934415 | 69587 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 460 | 6 | 2 | 5 | 5.0 | Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@@H](C)C(C)(C)C)c(C)nn2C2CCCCC2)cc1 | 10.1016/j.bmcl.2011.10.090 | ||
117993763 | 171604 | 0 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 469 | 9 | 3 | 4 | 3.4 | COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1 | 10.1039/C9MD00336C | ||
CHEMBL4465341 | 171604 | 0 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 469 | 9 | 3 | 4 | 3.4 | COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1 | 10.1039/C9MD00336C | ||
57392882 | 68266 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 440 | 9 | 2 | 5 | 4.3 | CCCC(CC)NC(=O)c1cnn(-c2ccccc2)c1NS(=O)(=O)c1ccc(C)cc1 | 10.1016/j.bmcl.2011.08.085 | ||
CHEMBL1916255 | 68266 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 440 | 9 | 2 | 5 | 4.3 | CCCC(CC)NC(=O)c1cnn(-c2ccccc2)c1NS(=O)(=O)c1ccc(C)cc1 | 10.1016/j.bmcl.2011.08.085 | ||
57394389 | 69589 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 464 | 9 | 2 | 6 | 4.1 | COCCC(C)n1nc(C)c(C(=O)N[C@@H](C)C(C)(C)C)c1NS(=O)(=O)c1ccc(C)cc1 | 10.1016/j.bmcl.2011.10.090 | ||
CHEMBL1934417 | 69589 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 464 | 9 | 2 | 6 | 4.1 | COCCC(C)n1nc(C)c(C(=O)N[C@@H](C)C(C)(C)C)c1NS(=O)(=O)c1ccc(C)cc1 | 10.1016/j.bmcl.2011.10.090 | ||
57396150 | 69594 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 462 | 6 | 2 | 6 | 3.8 | Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@@H](C)C(C)(C)C)c(C)nn2C2CCOCC2)cc1 | 10.1016/j.bmcl.2011.10.090 | ||
CHEMBL1934422 | 69594 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 462 | 6 | 2 | 6 | 3.8 | Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@@H](C)C(C)(C)C)c(C)nn2C2CCOCC2)cc1 | 10.1016/j.bmcl.2011.10.090 | ||
53233899 | 1411 | 0 | None | 69 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 394 | 5 | 3 | 4 | 4.5 | Cc1ccc(s1)C(C(=O)Nc1c(C)cccc1C)NC(=O)c1ccccc1O | 10.1016/j.bmcl.2011.03.049 | ||
5830 | 1411 | 0 | None | 69 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 394 | 5 | 3 | 4 | 4.5 | Cc1ccc(s1)C(C(=O)Nc1c(C)cccc1C)NC(=O)c1ccccc1O | 10.1016/j.bmcl.2011.03.049 | ||
CHEMBL1770298 | 1411 | 0 | None | 69 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 394 | 5 | 3 | 4 | 4.5 | Cc1ccc(s1)C(C(=O)Nc1c(C)cccc1C)NC(=O)c1ccccc1O | 10.1016/j.bmcl.2011.03.049 | ||
3939767 | 61475 | 3 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 440 | 8 | 1 | 5 | 5.2 | CSCCC(NC(=O)c1ccccc1)c1nc2ccccc2n1Cc1ccc(C#N)cc1 | 10.1016/j.bmcl.2011.03.049 | ||
CHEMBL1770475 | 61475 | 3 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 440 | 8 | 1 | 5 | 5.2 | CSCCC(NC(=O)c1ccccc1)c1nc2ccccc2n1Cc1ccc(C#N)cc1 | 10.1016/j.bmcl.2011.03.049 | ||
4329947 | 2501 | 1 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 423 | 8 | 2 | 5 | 5.2 | CSCCC(c1nc2c([nH]1)cccc2)NC(=O)c1oc2c(c1C)cc(cc2)OCC | 10.1016/j.bmcl.2011.03.049 | ||
5829 | 2501 | 1 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 423 | 8 | 2 | 5 | 5.2 | CSCCC(c1nc2c([nH]1)cccc2)NC(=O)c1oc2c(c1C)cc(cc2)OCC | 10.1016/j.bmcl.2011.03.049 | ||
CHEMBL1770297 | 2501 | 1 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 423 | 8 | 2 | 5 | 5.2 | CSCCC(c1nc2c([nH]1)cccc2)NC(=O)c1oc2c(c1C)cc(cc2)OCC | 10.1016/j.bmcl.2011.03.049 | ||
57398257 | 68285 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 466 | 6 | 1 | 5 | 4.7 | Cc1ccc(S(=O)(=O)Nc2c(C(=O)N(C)C3CCCCC3)c(C)nn2-c2ccccc2)cc1 | 10.1016/j.bmcl.2011.08.085 | ||
CHEMBL1916275 | 68285 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 466 | 6 | 1 | 5 | 4.7 | Cc1ccc(S(=O)(=O)Nc2c(C(=O)N(C)C3CCCCC3)c(C)nn2-c2ccccc2)cc1 | 10.1016/j.bmcl.2011.08.085 | ||
57392729 | 69573 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 460 | 6 | 2 | 5 | 4.0 | Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@@H](C)C(C)(C)C)c(C)nn2CC(F)(F)F)cc1 | 10.1016/j.bmcl.2011.10.090 | ||
CHEMBL1934269 | 69573 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 460 | 6 | 2 | 5 | 4.0 | Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@@H](C)C(C)(C)C)c(C)nn2CC(F)(F)F)cc1 | 10.1016/j.bmcl.2011.10.090 | ||
57399614 | 69593 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 543 | 7 | 2 | 6 | 4.7 | Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@@H](C)C(C)(C)C)c(C)nn2C2CCN(CC(F)(F)F)CC2)cc1 | 10.1016/j.bmcl.2011.10.090 | ||
CHEMBL1934421 | 69593 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 543 | 7 | 2 | 6 | 4.7 | Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@@H](C)C(C)(C)C)c(C)nn2C2CCN(CC(F)(F)F)CC2)cc1 | 10.1016/j.bmcl.2011.10.090 | ||
54584753 | 61477 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 424 | 8 | 2 | 6 | 4.6 | CCOc1ccc2oc(C(=O)NC(CCSC)c3nc4ncccc4[nH]3)c(C)c2c1 | 10.1016/j.bmcl.2011.03.049 | ||
CHEMBL1770477 | 61477 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 424 | 8 | 2 | 6 | 4.6 | CCOc1ccc2oc(C(=O)NC(CCSC)c3nc4ncccc4[nH]3)c(C)c2c1 | 10.1016/j.bmcl.2011.03.049 | ||
155523344 | 170741 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 475 | 9 | 3 | 4 | 3.7 | COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCCCC1 | 10.1039/C9MD00336C | ||
CHEMBL4452346 | 170741 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 475 | 9 | 3 | 4 | 3.7 | COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCCCC1 | 10.1039/C9MD00336C | ||
168283359 | 190812 | 0 | None | -5 | 2 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 380 | 5 | 2 | 3 | 3.1 | N#Cc1ccc(C[C@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2CCCC2)cc1 | 10.1021/acs.jmedchem.1c02203 | ||
CHEMBL5183856 | 190812 | 0 | None | -5 | 2 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 380 | 5 | 2 | 3 | 3.1 | N#Cc1ccc(C[C@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2CCCC2)cc1 | 10.1021/acs.jmedchem.1c02203 | ||
164916034 | 191690 | 0 | None | -6 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 437 | 6 | 4 | 4 | 2.2 | N#Cc1ccc(C[C@H](NC(=O)Nc2ccc(F)cc2)C(=O)NC2CCCCNC2=O)cc1 | 10.1021/acs.jmedchem.1c02203 | ||
CHEMBL5196771 | 191690 | 0 | None | -6 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 437 | 6 | 4 | 4 | 2.2 | N#Cc1ccc(C[C@H](NC(=O)Nc2ccc(F)cc2)C(=O)NC2CCCCNC2=O)cc1 | 10.1021/acs.jmedchem.1c02203 | ||
155517073 | 170162 | 0 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 469 | 9 | 3 | 4 | 3.4 | COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1 | 10.1039/C9MD00336C | ||
CHEMBL4444413 | 170162 | 0 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 469 | 9 | 3 | 4 | 3.4 | COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1 | 10.1039/C9MD00336C | ||
57396149 | 69590 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 478 | 6 | 2 | 6 | 4.5 | Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@@H](C)C(C)(C)C)c(C)nn2C2CCSCC2)cc1 | 10.1016/j.bmcl.2011.10.090 | ||
CHEMBL1934418 | 69590 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 478 | 6 | 2 | 6 | 4.5 | Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@@H](C)C(C)(C)C)c(C)nn2C2CCSCC2)cc1 | 10.1016/j.bmcl.2011.10.090 | ||
53233899 | 1411 | 0 | None | 69 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 394 | 5 | 3 | 4 | 4.5 | Cc1ccc(s1)C(C(=O)Nc1c(C)cccc1C)NC(=O)c1ccccc1O | 10.1016/j.bmcl.2011.03.049 | ||
5830 | 1411 | 0 | None | 69 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 394 | 5 | 3 | 4 | 4.5 | Cc1ccc(s1)C(C(=O)Nc1c(C)cccc1C)NC(=O)c1ccccc1O | 10.1016/j.bmcl.2011.03.049 | ||
CHEMBL1770298 | 1411 | 0 | None | 69 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 394 | 5 | 3 | 4 | 4.5 | Cc1ccc(s1)C(C(=O)Nc1c(C)cccc1C)NC(=O)c1ccccc1O | 10.1016/j.bmcl.2011.03.049 | ||
53233899 | 1411 | 0 | None | 69 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 394 | 5 | 3 | 4 | 4.5 | Cc1ccc(s1)C(C(=O)Nc1c(C)cccc1C)NC(=O)c1ccccc1O | 10.1016/j.bmcl.2011.03.049 | ||
5830 | 1411 | 0 | None | 69 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 394 | 5 | 3 | 4 | 4.5 | Cc1ccc(s1)C(C(=O)Nc1c(C)cccc1C)NC(=O)c1ccccc1O | 10.1016/j.bmcl.2011.03.049 | ||
CHEMBL1770298 | 1411 | 0 | None | 69 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 394 | 5 | 3 | 4 | 4.5 | Cc1ccc(s1)C(C(=O)Nc1c(C)cccc1C)NC(=O)c1ccccc1O | 10.1016/j.bmcl.2011.03.049 | ||
53233899 | 1411 | 0 | None | 69 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 394 | 5 | 3 | 4 | 4.5 | Cc1ccc(s1)C(C(=O)Nc1c(C)cccc1C)NC(=O)c1ccccc1O | 10.1016/j.bmcl.2011.08.085 | ||
5830 | 1411 | 0 | None | 69 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 394 | 5 | 3 | 4 | 4.5 | Cc1ccc(s1)C(C(=O)Nc1c(C)cccc1C)NC(=O)c1ccccc1O | 10.1016/j.bmcl.2011.08.085 | ||
CHEMBL1770298 | 1411 | 0 | None | 69 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 394 | 5 | 3 | 4 | 4.5 | Cc1ccc(s1)C(C(=O)Nc1c(C)cccc1C)NC(=O)c1ccccc1O | 10.1016/j.bmcl.2011.08.085 | ||
57396214 | 69575 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 448 | 8 | 2 | 5 | 4.8 | CCC(CC)n1nc(C)c(C(=O)N[C@@H](C)C(C)(C)C)c1NS(=O)(=O)c1ccc(C)cc1 | 10.1016/j.bmcl.2011.10.090 | ||
CHEMBL1934271 | 69575 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 448 | 8 | 2 | 5 | 4.8 | CCC(CC)n1nc(C)c(C(=O)N[C@@H](C)C(C)(C)C)c1NS(=O)(=O)c1ccc(C)cc1 | 10.1016/j.bmcl.2011.10.090 | ||
57392871 | 68248 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 438 | 6 | 2 | 5 | 4.0 | Cc1ccc(S(=O)(=O)Nc2c(C(=O)NC3CCCCC3)cnn2-c2ccccc2)cc1 | 10.1016/j.bmcl.2011.08.085 | ||
CHEMBL1916084 | 68248 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 438 | 6 | 2 | 5 | 4.0 | Cc1ccc(S(=O)(=O)Nc2c(C(=O)NC3CCCCC3)cnn2-c2ccccc2)cc1 | 10.1016/j.bmcl.2011.08.085 | ||
57394609 | 68271 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 427 | 8 | 2 | 6 | 3.3 | CCC(CC)NC(=O)c1nnn(-c2ccccc2)c1NS(=O)(=O)c1ccc(C)cc1 | 10.1016/j.bmcl.2011.08.085 | ||
CHEMBL1916261 | 68271 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 427 | 8 | 2 | 6 | 3.3 | CCC(CC)NC(=O)c1nnn(-c2ccccc2)c1NS(=O)(=O)c1ccc(C)cc1 | 10.1016/j.bmcl.2011.08.085 | ||
4881668 | 61415 | 6 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 379 | 6 | 2 | 4 | 4.8 | CSCCC(NC(=O)c1oc2ccccc2c1C)c1nc2ccccc2[nH]1 | 10.1016/j.bmcl.2011.03.049 | ||
CHEMBL1770309 | 61415 | 6 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 379 | 6 | 2 | 4 | 4.8 | CSCCC(NC(=O)c1oc2ccccc2c1C)c1nc2ccccc2[nH]1 | 10.1016/j.bmcl.2011.03.049 | ||
47012371 | 61417 | 5 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 329 | 6 | 2 | 4 | 3.7 | CSCCC(NC(=O)c1occc1C)c1nc2ccccc2[nH]1 | 10.1016/j.bmcl.2011.03.049 | ||
CHEMBL1770310 | 61417 | 5 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 329 | 6 | 2 | 4 | 3.7 | CSCCC(NC(=O)c1occc1C)c1nc2ccccc2[nH]1 | 10.1016/j.bmcl.2011.03.049 | ||
54584752 | 61469 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 341 | 6 | 3 | 4 | 3.5 | CSCCC(NC(=O)c1ccccc1O)c1nc2ccccc2[nH]1 | 10.1016/j.bmcl.2011.03.049 | ||
CHEMBL1770468 | 61469 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 341 | 6 | 3 | 4 | 3.5 | CSCCC(NC(=O)c1ccccc1O)c1nc2ccccc2[nH]1 | 10.1016/j.bmcl.2011.03.049 | ||
CHEMBL268823 | 210768 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)NCC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1021/jm950908d | ||||
168273654 | 190326 | 0 | None | -6 | 2 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 437 | 6 | 4 | 4 | 2.2 | N#Cc1ccc(C[C@@H](NC(=O)Nc2ccc(F)cc2)C(=O)NC2CCCCNC2=O)cc1 | 10.1021/acs.jmedchem.1c02203 | ||
CHEMBL5176452 | 190326 | 0 | None | -6 | 2 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 437 | 6 | 4 | 4 | 2.2 | N#Cc1ccc(C[C@@H](NC(=O)Nc2ccc(F)cc2)C(=O)NC2CCCCNC2=O)cc1 | 10.1021/acs.jmedchem.1c02203 | ||
102234371 | 113004 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 889 | 22 | 6 | 8 | 6.0 | CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(C(=O)c2ccccc2)cc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1016/j.bmc.2014.06.048 | ||
CHEMBL3311137 | 113004 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 889 | 22 | 6 | 8 | 6.0 | CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(C(=O)c2ccccc2)cc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1016/j.bmc.2014.06.048 | ||
168283383 | 190844 | 0 | None | -3 | 2 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 380 | 5 | 2 | 3 | 3.1 | N#Cc1ccc(C[C@@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2CCCC2)cc1 | 10.1021/acs.jmedchem.1c02203 | ||
CHEMBL5184396 | 190844 | 0 | None | -3 | 2 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 380 | 5 | 2 | 3 | 3.1 | N#Cc1ccc(C[C@@H](NC(=O)Nc2ccc(F)cc2)C(=O)N2CCCC2)cc1 | 10.1021/acs.jmedchem.1c02203 | ||
71697968 | 174571 | 21 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 469 | 9 | 3 | 4 | 3.4 | COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1 | 10.1039/C9MD00336C | ||
CHEMBL4556626 | 174571 | 21 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 469 | 9 | 3 | 4 | 3.4 | COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1 | 10.1039/C9MD00336C | ||
CHEMBL162488 | 208810 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | None | None | None | CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1021/jm950908d | ||||
CHEMBL7122 | 215868 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | None | None | None | CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)NC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1021/jm950908d | ||||
CHEMBL7034 | 215867 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)NC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1021/jm950908d | ||||
4329947 | 2501 | 1 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 423 | 8 | 2 | 5 | 5.2 | CSCCC(c1nc2c([nH]1)cccc2)NC(=O)c1oc2c(c1C)cc(cc2)OCC | 10.1016/j.bmcl.2011.03.049 | ||
5829 | 2501 | 1 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 423 | 8 | 2 | 5 | 5.2 | CSCCC(c1nc2c([nH]1)cccc2)NC(=O)c1oc2c(c1C)cc(cc2)OCC | 10.1016/j.bmcl.2011.03.049 | ||
CHEMBL1770297 | 2501 | 1 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 423 | 8 | 2 | 5 | 5.2 | CSCCC(c1nc2c([nH]1)cccc2)NC(=O)c1oc2c(c1C)cc(cc2)OCC | 10.1016/j.bmcl.2011.03.049 | ||
4329947 | 2501 | 1 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 423 | 8 | 2 | 5 | 5.2 | CSCCC(c1nc2c([nH]1)cccc2)NC(=O)c1oc2c(c1C)cc(cc2)OCC | 10.1016/j.bmcl.2011.08.085 | ||
5829 | 2501 | 1 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 423 | 8 | 2 | 5 | 5.2 | CSCCC(c1nc2c([nH]1)cccc2)NC(=O)c1oc2c(c1C)cc(cc2)OCC | 10.1016/j.bmcl.2011.08.085 | ||
CHEMBL1770297 | 2501 | 1 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 423 | 8 | 2 | 5 | 5.2 | CSCCC(c1nc2c([nH]1)cccc2)NC(=O)c1oc2c(c1C)cc(cc2)OCC | 10.1016/j.bmcl.2011.08.085 | ||
57401682 | 68282 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 440 | 8 | 2 | 5 | 4.2 | CCC(CC)NC(=O)c1c(C)nn(-c2ccccc2)c1NS(=O)(=O)c1ccc(C)cc1 | 10.1016/j.bmcl.2011.08.085 | ||
CHEMBL1916272 | 68282 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 440 | 8 | 2 | 5 | 4.2 | CCC(CC)NC(=O)c1c(C)nn(-c2ccccc2)c1NS(=O)(=O)c1ccc(C)cc1 | 10.1016/j.bmcl.2011.08.085 | ||
57396468 | 68293 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 454 | 6 | 2 | 5 | 4.5 | Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@H](C)C(C)(C)C)c(C)nn2-c2ccccc2)cc1 | 10.1016/j.bmcl.2011.08.085 | ||
CHEMBL1916283 | 68293 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 454 | 6 | 2 | 5 | 4.5 | Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@H](C)C(C)(C)C)c(C)nn2-c2ccccc2)cc1 | 10.1016/j.bmcl.2011.08.085 | ||
4329947 | 2501 | 1 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 423 | 8 | 2 | 5 | 5.2 | CSCCC(c1nc2c([nH]1)cccc2)NC(=O)c1oc2c(c1C)cc(cc2)OCC | 10.1016/j.bmcl.2011.03.049 | ||
5829 | 2501 | 1 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 423 | 8 | 2 | 5 | 5.2 | CSCCC(c1nc2c([nH]1)cccc2)NC(=O)c1oc2c(c1C)cc(cc2)OCC | 10.1016/j.bmcl.2011.03.049 | ||
CHEMBL1770297 | 2501 | 1 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 423 | 8 | 2 | 5 | 5.2 | CSCCC(c1nc2c([nH]1)cccc2)NC(=O)c1oc2c(c1C)cc(cc2)OCC | 10.1016/j.bmcl.2011.03.049 | ||
5322194 | 1865 | 10 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 376 | 3 | 1 | 5 | 2.3 | CC(C(N1C(=S)S/C(=C\2/c3ccccc3N(C2=O)C)/C1=O)C(=O)O)C | 10.1016/j.bmcl.2011.03.049 | ||
5827 | 1865 | 10 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 376 | 3 | 1 | 5 | 2.3 | CC(C(N1C(=S)S/C(=C\2/c3ccccc3N(C2=O)C)/C1=O)C(=O)O)C | 10.1016/j.bmcl.2011.03.049 | ||
CHEMBL1770295 | 1865 | 10 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 376 | 3 | 1 | 5 | 2.3 | CC(C(N1C(=S)S/C(=C\2/c3ccccc3N(C2=O)C)/C1=O)C(=O)O)C | 10.1016/j.bmcl.2011.03.049 | ||
57398165 | 68269 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 412 | 8 | 2 | 5 | 3.6 | CCC(CC)NC(=O)c1cnn(-c2ccccc2)c1NS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.08.085 | ||
CHEMBL1916259 | 68269 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 412 | 8 | 2 | 5 | 3.6 | CCC(CC)NC(=O)c1cnn(-c2ccccc2)c1NS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.08.085 | ||
57398166 | 68270 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 404 | 8 | 2 | 5 | 3.5 | CCC(CC)NC(=O)c1cnn(-c2ccccc2)c1NS(=O)(=O)C1CCCC1 | 10.1016/j.bmcl.2011.08.085 | ||
CHEMBL1916260 | 68270 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 404 | 8 | 2 | 5 | 3.5 | CCC(CC)NC(=O)c1cnn(-c2ccccc2)c1NS(=O)(=O)C1CCCC1 | 10.1016/j.bmcl.2011.08.085 | ||
57398253 | 68277 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 440 | 9 | 2 | 5 | 4.0 | CCC(CC)NC(=O)c1cnn(Cc2ccccc2)c1NS(=O)(=O)c1ccc(C)cc1 | 10.1016/j.bmcl.2011.08.085 | ||
CHEMBL1916267 | 68277 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 440 | 9 | 2 | 5 | 4.0 | CCC(CC)NC(=O)c1cnn(Cc2ccccc2)c1NS(=O)(=O)c1ccc(C)cc1 | 10.1016/j.bmcl.2011.08.085 | ||
57398255 | 68280 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 479 | 9 | 2 | 7 | 4.2 | CCC(CC)NC(=O)c1cnn(-c2ccccc2)c1NS(=O)(=O)c1ccc(-c2cnco2)cc1 | 10.1016/j.bmcl.2011.08.085 | ||
CHEMBL1916270 | 68280 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 479 | 9 | 2 | 7 | 4.2 | CCC(CC)NC(=O)c1cnn(-c2ccccc2)c1NS(=O)(=O)c1ccc(-c2cnco2)cc1 | 10.1016/j.bmcl.2011.08.085 | ||
57392964 | 68288 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 454 | 6 | 2 | 6 | 3.2 | Cc1ccc(S(=O)(=O)Nc2c(C(=O)NC3CCOCC3)c(C)nn2-c2ccccc2)cc1 | 10.1016/j.bmcl.2011.08.085 | ||
CHEMBL1916278 | 68288 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 454 | 6 | 2 | 6 | 3.2 | Cc1ccc(S(=O)(=O)Nc2c(C(=O)NC3CCOCC3)c(C)nn2-c2ccccc2)cc1 | 10.1016/j.bmcl.2011.08.085 | ||
54581782 | 61411 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 380 | 5 | 3 | 3 | 4.2 | O=C(NC(C(=O)Nc1ccccc1)c1ccc(Cl)cc1)c1ccccc1O | 10.1016/j.bmcl.2011.03.049 | ||
CHEMBL1770303 | 61411 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 380 | 5 | 3 | 3 | 4.2 | O=C(NC(C(=O)Nc1ccccc1)c1ccc(Cl)cc1)c1ccccc1O | 10.1016/j.bmcl.2011.03.049 | ||
5157579 | 61468 | 20 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 325 | 6 | 2 | 3 | 3.8 | CSCCC(NC(=O)c1ccccc1)c1nc2ccccc2[nH]1 | 10.1016/j.bmcl.2011.03.049 | ||
CHEMBL1770466 | 61468 | 20 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 325 | 6 | 2 | 3 | 3.8 | CSCCC(NC(=O)c1ccccc1)c1nc2ccccc2[nH]1 | 10.1016/j.bmcl.2011.03.049 | ||
54581827 | 61478 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 425 | 8 | 2 | 7 | 4.0 | CCOc1ccc2oc(C(=O)NC(CCSC)c3nc4ncncc4[nH]3)c(C)c2c1 | 10.1016/j.bmcl.2011.03.049 | ||
CHEMBL1770478 | 61478 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 425 | 8 | 2 | 7 | 4.0 | CCOc1ccc2oc(C(=O)NC(CCSC)c3nc4ncncc4[nH]3)c(C)c2c1 | 10.1016/j.bmcl.2011.03.049 | ||
155523344 | 170741 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 475 | 9 | 3 | 4 | 3.7 | COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCCCC1 | 10.1039/C9MD00336C | ||
CHEMBL4452346 | 170741 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 475 | 9 | 3 | 4 | 3.7 | COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCCCC1 | 10.1039/C9MD00336C | ||
155517009 | 170155 | 0 | None | 3 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 469 | 9 | 3 | 4 | 3.4 | COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1 | 10.1039/C9MD00336C | ||
CHEMBL4444320 | 170155 | 0 | None | 3 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 469 | 9 | 3 | 4 | 3.4 | COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1 | 10.1039/C9MD00336C | ||
CHEMBL7226 | 215871 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)NCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1021/jm950908d | ||||
CHEMBL7363 | 215873 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | None | None | None | CCCCNC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1021/jm950908d | ||||
54580796 | 61480 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 409 | 7 | 2 | 5 | 4.9 | CCOc1ccc2oc(C(=O)N[C@H](CSC)c3nc4ccccc4[nH]3)c(C)c2c1 | 10.1016/j.bmcl.2011.03.049 | ||
CHEMBL1770481 | 61480 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 409 | 7 | 2 | 5 | 4.9 | CCOc1ccc2oc(C(=O)N[C@H](CSC)c3nc4ccccc4[nH]3)c(C)c2c1 | 10.1016/j.bmcl.2011.03.049 | ||
57391103 | 68268 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 426 | 8 | 2 | 5 | 3.9 | CCC(CC)NC(=O)c1cnn(-c2ccccc2)c1NS(=O)(=O)c1ccccc1C | 10.1016/j.bmcl.2011.08.085 | ||
CHEMBL1916258 | 68268 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 426 | 8 | 2 | 5 | 3.9 | CCC(CC)NC(=O)c1cnn(-c2ccccc2)c1NS(=O)(=O)c1ccccc1C | 10.1016/j.bmcl.2011.08.085 | ||
57398256 | 68283 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 412 | 6 | 2 | 5 | 3.4 | Cc1ccc(S(=O)(=O)Nc2c(C(=O)NC(C)C)c(C)nn2-c2ccccc2)cc1 | 10.1016/j.bmcl.2011.08.085 | ||
CHEMBL1916273 | 68283 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 412 | 6 | 2 | 5 | 3.4 | Cc1ccc(S(=O)(=O)Nc2c(C(=O)NC(C)C)c(C)nn2-c2ccccc2)cc1 | 10.1016/j.bmcl.2011.08.085 | ||
57401427 | 69572 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 406 | 6 | 2 | 5 | 3.5 | CCn1nc(C)c(C(=O)N[C@@H](C)C(C)(C)C)c1NS(=O)(=O)c1ccc(C)cc1 | 10.1016/j.bmcl.2011.10.090 | ||
CHEMBL1934268 | 69572 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 406 | 6 | 2 | 5 | 3.5 | CCn1nc(C)c(C(=O)N[C@@H](C)C(C)(C)C)c1NS(=O)(=O)c1ccc(C)cc1 | 10.1016/j.bmcl.2011.10.090 | ||
54587699 | 61479 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 391 | 7 | 2 | 4 | 5.0 | CSCCC(NC(=O)c1sccc1Cl)c1ncc(-c2ccccc2)[nH]1 | 10.1016/j.bmcl.2011.03.049 | ||
CHEMBL1770479 | 61479 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 391 | 7 | 2 | 4 | 5.0 | CSCCC(NC(=O)c1sccc1Cl)c1ncc(-c2ccccc2)[nH]1 | 10.1016/j.bmcl.2011.03.049 | ||
71698276 | 173799 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 475 | 9 | 3 | 4 | 4.1 | COC(=O)[C@@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1 | 10.1039/C9MD00336C | ||
CHEMBL4538076 | 173799 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 475 | 9 | 3 | 4 | 4.1 | COC(=O)[C@@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1 | 10.1039/C9MD00336C | ||
57401681 | 68281 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 519 | 8 | 1 | 7 | 5.1 | CCN(C(=O)c1cnn(-c2ccccc2)c1NS(=O)(=O)c1ccc(-c2cnco2)cc1)C1CCCCC1 | 10.1016/j.bmcl.2011.08.085 | ||
CHEMBL1916271 | 68281 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 519 | 8 | 1 | 7 | 5.1 | CCN(C(=O)c1cnn(-c2ccccc2)c1NS(=O)(=O)c1ccc(-c2cnco2)cc1)C1CCCCC1 | 10.1016/j.bmcl.2011.08.085 | ||
57394707 | 68292 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 454 | 6 | 2 | 5 | 4.5 | Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@@H](C)C(C)(C)C)c(C)nn2-c2ccccc2)cc1 | 10.1016/j.bmcl.2011.08.085 | ||
CHEMBL1916282 | 68292 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 454 | 6 | 2 | 5 | 4.5 | Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@@H](C)C(C)(C)C)c(C)nn2-c2ccccc2)cc1 | 10.1016/j.bmcl.2011.08.085 | ||
57394707 | 68292 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 454 | 6 | 2 | 5 | 4.5 | Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@@H](C)C(C)(C)C)c(C)nn2-c2ccccc2)cc1 | 10.1016/j.bmcl.2011.10.090 | ||
CHEMBL1916282 | 68292 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 454 | 6 | 2 | 5 | 4.5 | Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@@H](C)C(C)(C)C)c(C)nn2-c2ccccc2)cc1 | 10.1016/j.bmcl.2011.10.090 | ||
57401369 | 69586 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 446 | 6 | 2 | 5 | 4.6 | Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@@H](C)C(C)(C)C)c(C)nn2C2CCCC2)cc1 | 10.1016/j.bmcl.2011.10.090 | ||
CHEMBL1934414 | 69586 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 446 | 6 | 2 | 5 | 4.6 | Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@@H](C)C(C)(C)C)c(C)nn2C2CCCC2)cc1 | 10.1016/j.bmcl.2011.10.090 | ||
54581780 | 61408 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 402 | 5 | 3 | 3 | 4.7 | Cc1cccc(C(NC(=O)c2ccccc2O)C(=O)Nc2c(C)cccc2C)c1C | 10.1016/j.bmcl.2011.03.049 | ||
CHEMBL1770300 | 61408 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 402 | 5 | 3 | 3 | 4.7 | Cc1cccc(C(NC(=O)c2ccccc2O)C(=O)Nc2c(C)cccc2C)c1C | 10.1016/j.bmcl.2011.03.049 | ||
57399797 | 68251 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 474 | 7 | 2 | 5 | 4.5 | Cc1ccc(S(=O)(=O)Nc2c(C(=O)NCc3ccc(C)cc3C)cnn2-c2ccccc2)cc1 | 10.1016/j.bmcl.2011.08.085 | ||
CHEMBL1916087 | 68251 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 474 | 7 | 2 | 5 | 4.5 | Cc1ccc(S(=O)(=O)Nc2c(C(=O)NCc3ccc(C)cc3C)cnn2-c2ccccc2)cc1 | 10.1016/j.bmcl.2011.08.085 | ||
57401683 | 68284 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 452 | 6 | 2 | 5 | 4.4 | Cc1ccc(S(=O)(=O)Nc2c(C(=O)NC3CCCCC3)c(C)nn2-c2ccccc2)cc1 | 10.1016/j.bmcl.2011.08.085 | ||
CHEMBL1916274 | 68284 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 452 | 6 | 2 | 5 | 4.4 | Cc1ccc(S(=O)(=O)Nc2c(C(=O)NC3CCCCC3)c(C)nn2-c2ccccc2)cc1 | 10.1016/j.bmcl.2011.08.085 | ||
4654636 | 61407 | 9 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 408 | 5 | 3 | 3 | 4.8 | Cc1cccc(C)c1NC(=O)C(NC(=O)c1ccccc1O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2011.03.049 | ||
CHEMBL1770299 | 61407 | 9 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 408 | 5 | 3 | 3 | 4.8 | Cc1cccc(C)c1NC(=O)C(NC(=O)c1ccccc1O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2011.03.049 | ||
54582743 | 61410 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 380 | 5 | 3 | 3 | 4.3 | Cc1cccc(C)c1NC(=O)C(NC(=O)c1ccccc1O)C1CCCCC1 | 10.1016/j.bmcl.2011.03.049 | ||
CHEMBL1770302 | 61410 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 380 | 5 | 3 | 3 | 4.3 | Cc1cccc(C)c1NC(=O)C(NC(=O)c1ccccc1O)C1CCCCC1 | 10.1016/j.bmcl.2011.03.049 | ||
118707023 | 112998 | 0 | None | - | 0 | Human | 7.0 | pKd | = | 7 | Functional | ChEMBL | 781 | 20 | 6 | 8 | 4.3 | CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](COC(C)(C)C)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1016/j.bmc.2014.06.048 | ||
CHEMBL3311130 | 112998 | 0 | None | - | 0 | Human | 7.0 | pKd | = | 7 | Functional | ChEMBL | 781 | 20 | 6 | 8 | 4.3 | CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](COC(C)(C)C)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1016/j.bmc.2014.06.048 | ||
CHEMBL3311298 | 211359 | 0 | None | - | 0 | Human | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | None | None | None | CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1cn(C(=O)OC(C)(C)C)c2ccccc12)C(=O)O | 10.1016/j.bmc.2014.06.048 | ||||
54752118 | 68297 | 0 | None | - | 1 | Human | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 483 | 6 | 2 | 6 | 4.2 | Cc1nn(-c2ccc(F)cc2)c(NS(=O)(=O)c2ccc(C#N)cc2)c1C(=O)N[C@@H](C)C(C)(C)C | 10.1016/j.bmcl.2011.08.085 | ||
CHEMBL1916288 | 68297 | 0 | None | - | 1 | Human | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 483 | 6 | 2 | 6 | 4.2 | Cc1nn(-c2ccc(F)cc2)c(NS(=O)(=O)c2ccc(C#N)cc2)c1C(=O)N[C@@H](C)C(C)(C)C | 10.1016/j.bmcl.2011.08.085 | ||
CHEMBL3311144 | 211349 | 0 | None | - | 0 | Human | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1016/j.bmc.2014.06.048 | ||||
CHEMBL3311292 | 211353 | 0 | None | - | 0 | Human | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)O | 10.1016/j.bmc.2014.06.048 | ||||
CHEMBL3311294 | 211355 | 0 | None | - | 0 | Human | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | None | None | None | CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C(=O)O)[C@@H](C)OC(C)(C)C | 10.1016/j.bmc.2014.06.048 | ||||
118706970 | 112995 | 0 | None | - | 0 | Human | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 795 | 20 | 6 | 8 | 4.7 | CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1016/j.bmc.2014.06.048 | ||
CHEMBL3311037 | 112995 | 0 | None | - | 0 | Human | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 795 | 20 | 6 | 8 | 4.7 | CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1016/j.bmc.2014.06.048 | ||
118707032 | 113006 | 0 | None | - | 0 | Human | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 870 | 24 | 7 | 8 | 5.1 | CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCCCNC(=O)c1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1016/j.bmc.2014.06.048 | ||
CHEMBL3311140 | 113006 | 0 | None | - | 0 | Human | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 870 | 24 | 7 | 8 | 5.1 | CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCCCNC(=O)c1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1016/j.bmc.2014.06.048 | ||
118707031 | 113005 | 0 | None | - | 0 | Human | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 877 | 24 | 7 | 8 | 5.3 | CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCCCNC(=O)C1CCCCC1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1016/j.bmc.2014.06.048 | ||
CHEMBL3311139 | 113005 | 0 | None | - | 0 | Human | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 877 | 24 | 7 | 8 | 5.3 | CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCCCNC(=O)C1CCCCC1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1016/j.bmc.2014.06.048 | ||
CHEMBL3311291 | 211352 | 0 | None | - | 0 | Human | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | None | None | None | CC(C)C[C@@H](NC(=O)[C@H](Cc1ccc(C(=O)c2ccccc2)cc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1016/j.bmc.2014.06.048 | ||||
CHEMBL3311297 | 211358 | 0 | None | - | 0 | Human | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | None | None | None | CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O | 10.1016/j.bmc.2014.06.048 | ||||
CHEMBL3311299 | 211360 | 0 | None | - | 0 | Human | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | None | None | None | CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)O | 10.1016/j.bmc.2014.06.048 | ||||
102234371 | 113004 | 0 | None | - | 1 | Human | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 889 | 22 | 6 | 8 | 6.0 | CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(C(=O)c2ccccc2)cc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1016/j.bmc.2014.06.048 | ||
CHEMBL3311137 | 113004 | 0 | None | - | 1 | Human | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 889 | 22 | 6 | 8 | 6.0 | CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(C(=O)c2ccccc2)cc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1016/j.bmc.2014.06.048 | ||
CHEMBL3311031 | 211339 | 0 | None | - | 0 | Human | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | None | None | None | CC(C)C[C@@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1016/j.bmc.2014.06.048 | ||||
CHEMBL3311293 | 211354 | 0 | None | - | 0 | Human | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | None | None | None | CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](COC(C)(C)C)C(=O)O | 10.1016/j.bmc.2014.06.048 | ||||
56949822 | 69596 | 0 | None | - | 1 | Human | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 490 | 7 | 2 | 6 | 4.6 | CO[C@H]1CC[C@@H](n2nc(C)c(C(=O)N[C@@H](C)C(C)(C)C)c2NS(=O)(=O)c2ccc(C)cc2)CC1 | 10.1016/j.bmcl.2011.10.090 | ||
CHEMBL1934424 | 69596 | 0 | None | - | 1 | Human | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 490 | 7 | 2 | 6 | 4.6 | CO[C@H]1CC[C@@H](n2nc(C)c(C(=O)N[C@@H](C)C(C)(C)C)c2NS(=O)(=O)c2ccc(C)cc2)CC1 | 10.1016/j.bmcl.2011.10.090 | ||
CHEMBL3311134 | 211345 | 0 | None | - | 0 | Human | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | None | None | None | CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1016/j.bmc.2014.06.048 | ||||
118707168 | 113021 | 0 | None | - | 1 | Human | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 893 | 22 | 6 | 8 | 6.6 | CC(C)C[C@@H](NC(=O)[C@H](CC1=CCCCC1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(C(=O)c2ccccc2)cc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1016/j.bmc.2014.06.048 | ||
CHEMBL3311300 | 113021 | 0 | None | - | 1 | Human | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 893 | 22 | 6 | 8 | 6.6 | CC(C)C[C@@H](NC(=O)[C@H](CC1=CCCCC1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(C(=O)c2ccccc2)cc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1016/j.bmc.2014.06.048 | ||
CHEMBL3311036 | 211344 | 0 | None | - | 0 | Human | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1016/j.bmc.2014.06.048 | ||||
CHEMBL3311142 | 211347 | 0 | None | - | 0 | Human | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1016/j.bmc.2014.06.048 | ||||
CHEMBL3311030 | 211338 | 26 | None | - | 1 | Human | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | None | None | None | CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1016/j.bmc.2014.06.048 | ||||
CHEMBL3311143 | 211348 | 0 | None | - | 0 | Human | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | None | None | None | CC(C)C[C@@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1016/j.bmc.2014.06.048 | ||||
CHEMBL3309281 | 211336 | 0 | None | - | 0 | Human | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | None | None | None | CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C(=O)O)C(C)C | 10.1016/j.bmc.2014.06.048 | ||||
CHEMBL3311032 | 211340 | 0 | None | - | 0 | Human | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | None | None | None | CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1016/j.bmc.2014.06.048 | ||||
CHEMBL3311033 | 211341 | 0 | None | - | 0 | Human | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | None | None | None | CC(C)C[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1016/j.bmc.2014.06.048 | ||||
CHEMBL3311035 | 211343 | 0 | None | - | 0 | Human | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | None | None | None | CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)O | 10.1016/j.bmc.2014.06.048 | ||||
57394707 | 68292 | 0 | None | - | 1 | Human | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 454 | 6 | 2 | 5 | 4.5 | Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@@H](C)C(C)(C)C)c(C)nn2-c2ccccc2)cc1 | 10.1016/j.bmcl.2011.08.085 | ||
CHEMBL1916282 | 68292 | 0 | None | - | 1 | Human | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 454 | 6 | 2 | 5 | 4.5 | Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@@H](C)C(C)(C)C)c(C)nn2-c2ccccc2)cc1 | 10.1016/j.bmcl.2011.08.085 | ||
CHEMBL3311034 | 211342 | 0 | None | - | 0 | Human | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | None | None | None | CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1016/j.bmc.2014.06.048 | ||||
CHEMBL3311289 | 211351 | 0 | None | - | 0 | Human | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | None | None | None | CC(C)C[C@@H](NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1016/j.bmc.2014.06.048 | ||||
118707169 | 113022 | 0 | None | - | 0 | Human | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 900 | 22 | 6 | 8 | 7.3 | CC(C)C[C@@H](NC(=O)[C@H](CC1=CCCCC1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(C(=O)c2ccccc2)cc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC1CCCCC1)C(=O)O | 10.1016/j.bmc.2014.06.048 | ||
CHEMBL3311301 | 113022 | 0 | None | - | 0 | Human | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 900 | 22 | 6 | 8 | 7.3 | CC(C)C[C@@H](NC(=O)[C@H](CC1=CCCCC1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(C(=O)c2ccccc2)cc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC1CCCCC1)C(=O)O | 10.1016/j.bmc.2014.06.048 | ||
118707026 | 113001 | 0 | None | - | 0 | Human | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 857 | 21 | 6 | 8 | 5.9 | CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1016/j.bmc.2014.06.048 | ||
CHEMBL3311133 | 113001 | 0 | None | - | 0 | Human | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 857 | 21 | 6 | 8 | 5.9 | CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1016/j.bmc.2014.06.048 | ||
118707024 | 112999 | 0 | None | - | 0 | Human | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 791 | 20 | 6 | 7 | 5.5 | CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1016/j.bmc.2014.06.048 | ||
CHEMBL3311131 | 112999 | 0 | None | - | 0 | Human | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 791 | 20 | 6 | 7 | 5.5 | CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1016/j.bmc.2014.06.048 | ||
CHEMBL3311296 | 211357 | 0 | None | - | 0 | Human | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | None | None | None | CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccc(OC(C)(C)C)cc1)C(=O)O | 10.1016/j.bmc.2014.06.048 | ||||
118707029 | 113003 | 0 | None | - | 0 | Human | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 925 | 20 | 6 | 10 | 6.5 | CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1cn(C(=O)OC(C)(C)C)c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1016/j.bmc.2014.06.048 | ||
CHEMBL3311136 | 113003 | 0 | None | - | 0 | Human | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 925 | 20 | 6 | 10 | 6.5 | CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1cn(C(=O)OC(C)(C)C)c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1016/j.bmc.2014.06.048 | ||
CHEMBL3311138 | 211346 | 0 | None | - | 0 | Human | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | None | None | None | CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1016/j.bmc.2014.06.048 | ||||
118707025 | 113000 | 0 | None | - | 0 | Human | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 819 | 20 | 6 | 7 | 5.4 | CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1016/j.bmc.2014.06.048 | ||
CHEMBL3311132 | 113000 | 0 | None | - | 0 | Human | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 819 | 20 | 6 | 7 | 5.4 | CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1016/j.bmc.2014.06.048 | ||
CHEMBL3311295 | 211356 | 0 | None | - | 0 | Human | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | None | None | None | CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC1CCCCC1)C(=O)O | 10.1016/j.bmc.2014.06.048 | ||||
56949966 | 69597 | 0 | None | - | 1 | Human | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 488 | 7 | 2 | 6 | 4.4 | Cc1nn(C2CCOCC2)c(NS(=O)(=O)c2ccc(C3CC3)cc2)c1C(=O)N[C@@H](C)C(C)(C)C | 10.1016/j.bmcl.2011.10.090 | ||
CHEMBL1934426 | 69597 | 0 | None | - | 1 | Human | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 488 | 7 | 2 | 6 | 4.4 | Cc1nn(C2CCOCC2)c(NS(=O)(=O)c2ccc(C3CC3)cc2)c1C(=O)N[C@@H](C)C(C)(C)C | 10.1016/j.bmcl.2011.10.090 | ||
CHEMBL3311288 | 211350 | 0 | None | - | 0 | Human | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | None | None | None | CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)OC(C)(C)C | 10.1016/j.bmc.2014.06.048 | ||||
118707028 | 113002 | 0 | None | - | 0 | Human | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 852 | 21 | 6 | 9 | 4.7 | CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1cn(C=O)c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1016/j.bmc.2014.06.048 | ||
CHEMBL3311135 | 113002 | 0 | None | - | 0 | Human | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 852 | 21 | 6 | 9 | 4.7 | CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1cn(C=O)c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1016/j.bmc.2014.06.048 | ||
3092570 | 92 | 12 | None | - | 0 | Human | 7.0 | pKi | = | 7 | Functional | ChEMBL | 376 | 3 | 0 | 6 | 4.1 | CCc1cc2c(cc1OC(=O)C)oc(c(c2=O)c1nc2c(n1C)cccc2)C | 10.1016/j.bmcl.2011.03.049 | ||
5828 | 92 | 12 | None | - | 0 | Human | 7.0 | pKi | = | 7 | Functional | ChEMBL | 376 | 3 | 0 | 6 | 4.1 | CCc1cc2c(cc1OC(=O)C)oc(c(c2=O)c1nc2c(n1C)cccc2)C | 10.1016/j.bmcl.2011.03.049 | ||
CHEMBL1329101 | 92 | 12 | None | - | 0 | Human | 7.0 | pKi | = | 7 | Functional | ChEMBL | 376 | 3 | 0 | 6 | 4.1 | CCc1cc2c(cc1OC(=O)C)oc(c(c2=O)c1nc2c(n1C)cccc2)C | 10.1016/j.bmcl.2011.03.049 | ||
2831216 | 41021 | 15 | None | - | 0 | Human | 4.9 | pKi | = | 4.9 | Functional | ChEMBL | 386 | 3 | 0 | 2 | 4.8 | O=C1C(C23CC4CC(CC(C4)C2)C3)C(=O)N(c2ccccc2)N1c1ccccc1 | nan | ||
CHEMBL1487404 | 41021 | 15 | None | - | 0 | Human | 4.9 | pKi | = | 4.9 | Functional | ChEMBL | 386 | 3 | 0 | 2 | 4.8 | O=C1C(C23CC4CC(CC(C4)C2)C3)C(=O)N(c2ccccc2)N1c1ccccc1 | nan | ||
5737239 | 27823 | 9 | None | - | 0 | Human | 4.9 | pKi | = | 4.9 | Functional | ChEMBL | 401 | 5 | 1 | 5 | 4.0 | Cc1ccc(C2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CC2CCCO2)o1 | nan | ||
CHEMBL1371060 | 27823 | 9 | None | - | 0 | Human | 4.9 | pKi | = | 4.9 | Functional | ChEMBL | 401 | 5 | 1 | 5 | 4.0 | Cc1ccc(C2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CC2CCCO2)o1 | nan | ||
658811 | 44604 | 8 | None | - | 0 | Human | 4.9 | pKi | = | 4.9 | Functional | ChEMBL | 355 | 3 | 1 | 5 | 4.1 | CCC(=O)Nc1c(C#N)c2nc3ccccc3nc2n1-c1ccccc1C | nan | ||
CHEMBL1520286 | 44604 | 8 | None | - | 0 | Human | 4.9 | pKi | = | 4.9 | Functional | ChEMBL | 355 | 3 | 1 | 5 | 4.1 | CCC(=O)Nc1c(C#N)c2nc3ccccc3nc2n1-c1ccccc1C | nan | ||
3152750 | 54639 | 14 | None | - | 0 | Human | 4.9 | pKi | = | 4.9 | Functional | ChEMBL | 349 | 5 | 1 | 5 | 3.7 | O=C(C1=C(O)C(=O)N(Cc2ccccc2)C1c1ccco1)c1ccco1 | nan | ||
CHEMBL1611036 | 54639 | 14 | None | - | 0 | Human | 4.9 | pKi | = | 4.9 | Functional | ChEMBL | 349 | 5 | 1 | 5 | 3.7 | O=C(C1=C(O)C(=O)N(Cc2ccccc2)C1c1ccco1)c1ccco1 | nan | ||
4097552 | 53309 | 14 | None | - | 0 | Human | 4.9 | pKi | = | 4.9 | Functional | ChEMBL | 314 | 1 | 1 | 6 | 4.0 | Cc1ccsc1C1C2=C(O)CC(C)(C)CC2=Nc2ncnn21 | nan | ||
CHEMBL1599624 | 53309 | 14 | None | - | 0 | Human | 4.9 | pKi | = | 4.9 | Functional | ChEMBL | 314 | 1 | 1 | 6 | 4.0 | Cc1ccsc1C1C2=C(O)CC(C)(C)CC2=Nc2ncnn21 | nan | ||
5768899 | 35526 | 9 | None | - | 0 | Human | 4.9 | pKi | = | 4.9 | Functional | ChEMBL | 385 | 8 | 1 | 6 | 3.2 | CCOc1cccc(C(=O)C2=C(O)C(=O)N(CCOC)C2c2ccc(C)o2)c1 | nan | ||
CHEMBL1438893 | 35526 | 9 | None | - | 0 | Human | 4.9 | pKi | = | 4.9 | Functional | ChEMBL | 385 | 8 | 1 | 6 | 3.2 | CCOc1cccc(C(=O)C2=C(O)C(=O)N(CCOC)C2c2ccc(C)o2)c1 | nan | ||
655756 | 40624 | 13 | None | - | 0 | Human | 4.9 | pKi | = | 4.9 | Functional | ChEMBL | 360 | 5 | 1 | 5 | 3.5 | O=C(C1=C(O)C(=O)N(Cc2ccccc2)C1c1ccncc1)c1ccco1 | nan | ||
CHEMBL1483985 | 40624 | 13 | None | - | 0 | Human | 4.9 | pKi | = | 4.9 | Functional | ChEMBL | 360 | 5 | 1 | 5 | 3.5 | O=C(C1=C(O)C(=O)N(Cc2ccccc2)C1c1ccncc1)c1ccco1 | nan | ||
2950328 | 49065 | 15 | None | - | 0 | Human | 4.9 | pKi | = | 4.9 | Functional | ChEMBL | 449 | 10 | 1 | 7 | 4.2 | CCCOc1ccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCCn2ccnc2)cc1 | nan | ||
CHEMBL1561325 | 49065 | 15 | None | - | 0 | Human | 4.9 | pKi | = | 4.9 | Functional | ChEMBL | 449 | 10 | 1 | 7 | 4.2 | CCCOc1ccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCCn2ccnc2)cc1 | nan | ||
653420 | 30427 | 17 | None | - | 0 | Human | 4.9 | pKi | = | 4.9 | Functional | ChEMBL | 299 | 1 | 1 | 4 | 3.6 | Cc1nn2c(O)c3c(nc2c1-c1ccc(Cl)cc1)CCC3 | nan | ||
CHEMBL1392442 | 30427 | 17 | None | - | 0 | Human | 4.9 | pKi | = | 4.9 | Functional | ChEMBL | 299 | 1 | 1 | 4 | 3.6 | Cc1nn2c(O)c3c(nc2c1-c1ccc(Cl)cc1)CCC3 | nan | ||
2528 | 3700 | 85 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Functional | ChEMBL | 404 | 6 | 0 | 3 | 3.8 | O=C1N(c2ccccc2)N(C(=O)C1CCS(=O)c1ccccc1)c1ccccc1 | nan | ||
5342 | 3700 | 85 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Functional | ChEMBL | 404 | 6 | 0 | 3 | 3.8 | O=C1N(c2ccccc2)N(C(=O)C1CCS(=O)c1ccccc1)c1ccccc1 | nan | ||
5826 | 3700 | 85 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Functional | ChEMBL | 404 | 6 | 0 | 3 | 3.8 | O=C1N(c2ccccc2)N(C(=O)C1CCS(=O)c1ccccc1)c1ccccc1 | nan | ||
CHEMBL832 | 3700 | 85 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Functional | ChEMBL | 404 | 6 | 0 | 3 | 3.8 | O=C1N(c2ccccc2)N(C(=O)C1CCS(=O)c1ccccc1)c1ccccc1 | nan | ||
DB01138 | 3700 | 85 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Functional | ChEMBL | 404 | 6 | 0 | 3 | 3.8 | O=C1N(c2ccccc2)N(C(=O)C1CCS(=O)c1ccccc1)c1ccccc1 | nan | ||
2999882 | 27271 | 21 | None | - | 2 | Human | 4.8 | pKi | = | 4.8 | Functional | ChEMBL | 341 | 7 | 1 | 5 | 2.9 | COCCCN1C(=O)C(O)=C(C(=O)c2ccco2)C1c1ccccc1 | nan | ||
CHEMBL1367025 | 27271 | 21 | None | - | 2 | Human | 4.8 | pKi | = | 4.8 | Functional | ChEMBL | 341 | 7 | 1 | 5 | 2.9 | COCCCN1C(=O)C(O)=C(C(=O)c2ccco2)C1c1ccccc1 | nan | ||
661728 | 36903 | 18 | None | - | 0 | Human | 4.8 | pKi | = | 4.8 | Functional | ChEMBL | 419 | 7 | 1 | 5 | 3.7 | COCCCN1C(=O)C(O)=C(C(=O)c2ccco2)C1c1ccc(Br)cc1 | nan | ||
CHEMBL1450917 | 36903 | 18 | None | - | 0 | Human | 4.8 | pKi | = | 4.8 | Functional | ChEMBL | 419 | 7 | 1 | 5 | 3.7 | COCCCN1C(=O)C(O)=C(C(=O)c2ccco2)C1c1ccc(Br)cc1 | nan | ||
3237505 | 46873 | 6 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Functional | ChEMBL | 345 | 2 | 2 | 5 | 3.2 | O=C(NC1CCCC1)c1sc(=S)n2c1[nH]c(=O)c1ccccc12 | nan | ||
CHEMBL1540596 | 46873 | 6 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Functional | ChEMBL | 345 | 2 | 2 | 5 | 3.2 | O=C(NC1CCCC1)c1sc(=S)n2c1[nH]c(=O)c1ccccc12 | nan | ||
2919194 | 47845 | 14 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Functional | ChEMBL | 404 | 7 | 1 | 6 | 3.9 | CCOc1ccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2cccnc2)cc1 | nan | ||
CHEMBL1548838 | 47845 | 14 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Functional | ChEMBL | 404 | 7 | 1 | 6 | 3.9 | CCOc1ccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2cccnc2)cc1 | nan | ||
2236750 | 49291 | 12 | None | - | 0 | Human | 4.7 | pKi | = | 4.7 | Functional | ChEMBL | 341 | 5 | 1 | 7 | 2.5 | CCOC(=O)Cc1cc(O)n2nc(C)c(-c3ccc(OC)cc3)c2n1 | nan | ||
CHEMBL1563387 | 49291 | 12 | None | - | 0 | Human | 4.7 | pKi | = | 4.7 | Functional | ChEMBL | 341 | 5 | 1 | 7 | 2.5 | CCOC(=O)Cc1cc(O)n2nc(C)c(-c3ccc(OC)cc3)c2n1 | nan | ||
3244340 | 52192 | 1 | None | - | 0 | Human | 4.7 | pKi | = | 4.7 | Functional | ChEMBL | 382 | 7 | 2 | 4 | 3.5 | CCN(C(=O)Cc1c(C(=O)O)[nH]c2ccccc12)c1cc(OC)ccc1OC | nan | ||
CHEMBL1588313 | 52192 | 1 | None | - | 0 | Human | 4.7 | pKi | = | 4.7 | Functional | ChEMBL | 382 | 7 | 2 | 4 | 3.5 | CCN(C(=O)Cc1c(C(=O)O)[nH]c2ccccc12)c1cc(OC)ccc1OC | nan | ||
1078574 | 33152 | 12 | None | - | 0 | Human | 4.7 | pKi | = | 4.7 | Functional | ChEMBL | 345 | 4 | 1 | 6 | 3.2 | CCOC(=O)Cc1cc(O)n2nc(C)c(-c3ccc(Cl)cc3)c2n1 | nan | ||
CHEMBL1417363 | 33152 | 12 | None | - | 0 | Human | 4.7 | pKi | = | 4.7 | Functional | ChEMBL | 345 | 4 | 1 | 6 | 3.2 | CCOC(=O)Cc1cc(O)n2nc(C)c(-c3ccc(Cl)cc3)c2n1 | nan | ||
656027 | 33456 | 7 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Functional | ChEMBL | 439 | 8 | 1 | 7 | 4.2 | COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccco3)C2c2cccs2)cc1OC | nan | ||
CHEMBL1420005 | 33456 | 7 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Functional | ChEMBL | 439 | 8 | 1 | 7 | 4.2 | COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccco3)C2c2cccs2)cc1OC | nan | ||
1300651 | 44290 | 17 | None | - | 0 | Human | 4.7 | pKi | = | 4.7 | Functional | ChEMBL | 392 | 5 | 0 | 7 | 4.7 | COc1ccccc1Oc1c(C)oc2cc(OC(=O)c3ccco3)ccc2c1=O | nan | ||
CHEMBL1517379 | 44290 | 17 | None | - | 0 | Human | 4.7 | pKi | = | 4.7 | Functional | ChEMBL | 392 | 5 | 0 | 7 | 4.7 | COc1ccccc1Oc1c(C)oc2cc(OC(=O)c3ccco3)ccc2c1=O | nan | ||
3240009 | 43616 | 2 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Functional | ChEMBL | 333 | 4 | 2 | 5 | 3.1 | CCCCNC(=O)c1sc(=S)n2c1[nH]c(=O)c1ccccc12 | nan | ||
CHEMBL1509433 | 43616 | 2 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Functional | ChEMBL | 333 | 4 | 2 | 5 | 3.1 | CCCCNC(=O)c1sc(=S)n2c1[nH]c(=O)c1ccccc12 | nan | ||
5307697 | 35860 | 4 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Functional | ChEMBL | 433 | 3 | 0 | 5 | 5.2 | COc1ccc2ccccc2c1C1CC(=O)N2CN(C3CCCCC3)CSC2=C1C#N | nan | ||
CHEMBL1441874 | 35860 | 4 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Functional | ChEMBL | 433 | 3 | 0 | 5 | 5.2 | COc1ccc2ccccc2c1C1CC(=O)N2CN(C3CCCCC3)CSC2=C1C#N | nan | ||
654635 | 47013 | 13 | None | - | 0 | Human | 4.7 | pKi | = | 4.7 | Functional | ChEMBL | 433 | 7 | 2 | 6 | 4.1 | COc1cc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCc2ccccc2)ccc1O | nan | ||
CHEMBL1541719 | 47013 | 13 | None | - | 0 | Human | 4.7 | pKi | = | 4.7 | Functional | ChEMBL | 433 | 7 | 2 | 6 | 4.1 | COc1cc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCc2ccccc2)ccc1O | nan | ||
15993744 | 53633 | 5 | None | - | 0 | Human | 4.7 | pKi | = | 4.7 | Functional | ChEMBL | 353 | 6 | 2 | 5 | 2.3 | COc1ccccc1C1C(C(=O)c2ccccc2)=C(O)C(=O)N1CCO | nan | ||
CHEMBL1602770 | 53633 | 5 | None | - | 0 | Human | 4.7 | pKi | = | 4.7 | Functional | ChEMBL | 353 | 6 | 2 | 5 | 2.3 | COc1ccccc1C1C(C(=O)c2ccccc2)=C(O)C(=O)N1CCO | nan | ||
687427 | 37923 | 22 | None | - | 0 | Human | 4.7 | pKi | = | 4.7 | Functional | ChEMBL | 265 | 1 | 1 | 4 | 2.9 | Cc1nn2c(O)c3c(nc2c1-c1ccccc1)CCC3 | nan | ||
CHEMBL1459454 | 37923 | 22 | None | - | 0 | Human | 4.7 | pKi | = | 4.7 | Functional | ChEMBL | 265 | 1 | 1 | 4 | 2.9 | Cc1nn2c(O)c3c(nc2c1-c1ccccc1)CCC3 | nan | ||
1998413 | 23840 | 17 | None | - | 0 | Human | 4.7 | pKi | = | 4.7 | Functional | ChEMBL | 406 | 6 | 0 | 7 | 5.1 | CCOc1ccccc1Oc1c(C)oc2cc(OC(=O)c3ccco3)ccc2c1=O | nan | ||
CHEMBL1336347 | 23840 | 17 | None | - | 0 | Human | 4.7 | pKi | = | 4.7 | Functional | ChEMBL | 406 | 6 | 0 | 7 | 5.1 | CCOc1ccccc1Oc1c(C)oc2cc(OC(=O)c3ccco3)ccc2c1=O | nan | ||
5389675 | 21941 | 8 | None | - | 0 | Human | 4.7 | pKi | = | 4.7 | Functional | ChEMBL | 468 | 7 | 2 | 8 | 1.7 | COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)C2c2cccnc2)c1C | nan | ||
CHEMBL1320528 | 21941 | 8 | None | - | 0 | Human | 4.7 | pKi | = | 4.7 | Functional | ChEMBL | 468 | 7 | 2 | 8 | 1.7 | COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)C2c2cccnc2)c1C | nan | ||
5737165 | 38744 | 6 | None | - | 0 | Human | 4.7 | pKi | = | 4.7 | Functional | ChEMBL | 411 | 7 | 1 | 6 | 3.7 | CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC3CCCO3)C2c2ccc(C)o2)cc1 | nan | ||
CHEMBL1466140 | 38744 | 6 | None | - | 0 | Human | 4.7 | pKi | = | 4.7 | Functional | ChEMBL | 411 | 7 | 1 | 6 | 3.7 | CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC3CCCO3)C2c2ccc(C)o2)cc1 | nan | ||
663185 | 46584 | 13 | None | - | 0 | Human | 4.7 | pKi | = | 4.7 | Functional | ChEMBL | 379 | 8 | 2 | 7 | 2.4 | O=C(C1=C(O)C(=O)N(CCOCCO)C1c1cccs1)c1cccs1 | nan | ||
CHEMBL1538195 | 46584 | 13 | None | - | 0 | Human | 4.7 | pKi | = | 4.7 | Functional | ChEMBL | 379 | 8 | 2 | 7 | 2.4 | O=C(C1=C(O)C(=O)N(CCOCCO)C1c1cccs1)c1cccs1 | nan | ||
651205 | 20196 | 20 | None | - | 0 | Human | 4.7 | pKi | = | 4.7 | Functional | ChEMBL | 216 | 1 | 1 | 5 | 1.5 | CCc1c(C)nc2c(C#N)c(C)nn2c1O | nan | ||
CHEMBL1304907 | 20196 | 20 | None | - | 0 | Human | 4.7 | pKi | = | 4.7 | Functional | ChEMBL | 216 | 1 | 1 | 5 | 1.5 | CCc1c(C)nc2c(C#N)c(C)nn2c1O | nan | ||
3245907 | 108029 | 15 | None | - | 1 | Human | 4.6 | pKi | = | 4.6 | Functional | ChEMBL | 298 | 2 | 0 | 5 | 2.1 | CC(=O)SCC(=O)/N=c1\sc2cc(F)ccc2n1C | nan | ||
CHEMBL3194619 | 108029 | 15 | None | - | 1 | Human | 4.6 | pKi | = | 4.6 | Functional | ChEMBL | 298 | 2 | 0 | 5 | 2.1 | CC(=O)SCC(=O)/N=c1\sc2cc(F)ccc2n1C | nan | ||
3245336 | 19691 | 11 | None | - | 0 | Human | 4.6 | pKi | = | 4.6 | Functional | ChEMBL | 339 | 3 | 1 | 5 | 4.1 | Cc1cccc(-n2nc3c(c2NC(=O)c2ccco2)CSC3)c1C | nan | ||
CHEMBL1300796 | 19691 | 11 | None | - | 0 | Human | 4.6 | pKi | = | 4.6 | Functional | ChEMBL | 339 | 3 | 1 | 5 | 4.1 | Cc1cccc(-n2nc3c(c2NC(=O)c2ccco2)CSC3)c1C | nan | ||
5924107 | 25583 | 8 | None | - | 0 | Human | 4.6 | pKi | = | 4.6 | Functional | ChEMBL | 476 | 7 | 1 | 8 | 3.0 | Cc1ccc(C2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CCN2CCOCC2)o1 | nan | ||
CHEMBL1351384 | 25583 | 8 | None | - | 0 | Human | 4.6 | pKi | = | 4.6 | Functional | ChEMBL | 476 | 7 | 1 | 8 | 3.0 | Cc1ccc(C2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CCN2CCOCC2)o1 | nan | ||
658816 | 19506 | 8 | None | - | 2 | Human | 4.6 | pKi | = | 4.6 | Functional | ChEMBL | 321 | 5 | 1 | 5 | 3.6 | CCCCn1c(NC(=O)CC)c(C#N)c2nc3ccccc3nc21 | nan | ||
CHEMBL1299357 | 19506 | 8 | None | - | 2 | Human | 4.6 | pKi | = | 4.6 | Functional | ChEMBL | 321 | 5 | 1 | 5 | 3.6 | CCCCn1c(NC(=O)CC)c(C#N)c2nc3ccccc3nc21 | nan | ||
15993794 | 32434 | 1 | None | - | 0 | Human | 4.6 | pKi | = | 4.6 | Functional | ChEMBL | 367 | 6 | 2 | 5 | 2.7 | COc1ccccc1C1C(C(=O)c2ccccc2)=C(O)C(=O)N1CC(C)O | nan | ||
CHEMBL1411390 | 32434 | 1 | None | - | 0 | Human | 4.6 | pKi | = | 4.6 | Functional | ChEMBL | 367 | 6 | 2 | 5 | 2.7 | COc1ccccc1C1C(C(=O)c2ccccc2)=C(O)C(=O)N1CC(C)O | nan | ||
4269075 | 107506 | 7 | None | - | 0 | Human | 4.6 | pKi | = | 4.6 | Functional | ChEMBL | 456 | 9 | 1 | 8 | 2.6 | COc1ccc(OC)c(C2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCN2CCOCC2)c1 | nan | ||
660781 | 107506 | 7 | None | - | 0 | Human | 4.6 | pKi | = | 4.6 | Functional | ChEMBL | 456 | 9 | 1 | 8 | 2.6 | COc1ccc(OC)c(C2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCN2CCOCC2)c1 | nan | ||
CHEMBL3185931 | 107506 | 7 | None | - | 0 | Human | 4.6 | pKi | = | 4.6 | Functional | ChEMBL | 456 | 9 | 1 | 8 | 2.6 | COc1ccc(OC)c(C2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCN2CCOCC2)c1 | nan | ||
2934026 | 45670 | 16 | None | - | 0 | Human | 4.6 | pKi | = | 4.6 | Functional | ChEMBL | 455 | 8 | 1 | 8 | 4.1 | COc1cc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2ccco2)cc(OC)c1OC | nan | ||
CHEMBL1529795 | 45670 | 16 | None | - | 0 | Human | 4.6 | pKi | = | 4.6 | Functional | ChEMBL | 455 | 8 | 1 | 8 | 4.1 | COc1cc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2ccco2)cc(OC)c1OC | nan | ||
754780 | 44470 | 12 | None | - | 0 | Human | 4.6 | pKi | = | 4.6 | Functional | ChEMBL | 264 | 2 | 1 | 5 | 2.2 | Cc1nc2c(C#N)cnn2c(O)c1Cc1ccccc1 | nan | ||
CHEMBL1519083 | 44470 | 12 | None | - | 0 | Human | 4.6 | pKi | = | 4.6 | Functional | ChEMBL | 264 | 2 | 1 | 5 | 2.2 | Cc1nc2c(C#N)cnn2c(O)c1Cc1ccccc1 | nan | ||
5766372 | 24516 | 6 | None | - | 0 | Human | 4.5 | pKi | = | 4.5 | Functional | ChEMBL | 395 | 7 | 1 | 6 | 3.0 | COCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)C1c1ccc2c(c1)OCO2 | nan | ||
CHEMBL1342311 | 24516 | 6 | None | - | 0 | Human | 4.5 | pKi | = | 4.5 | Functional | ChEMBL | 395 | 7 | 1 | 6 | 3.0 | COCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)C1c1ccc2c(c1)OCO2 | nan | ||
662399 | 19768 | 7 | None | - | 0 | Human | 4.5 | pKi | = | 4.5 | Functional | ChEMBL | 417 | 10 | 3 | 8 | 1.7 | COCc1cc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2CCOCCO)ccc1O | nan | ||
CHEMBL1301382 | 19768 | 7 | None | - | 0 | Human | 4.5 | pKi | = | 4.5 | Functional | ChEMBL | 417 | 10 | 3 | 8 | 1.7 | COCc1cc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2CCOCCO)ccc1O | nan | ||
135406754 | 23639 | 10 | None | - | 0 | Human | 4.5 | pKi | = | 4.5 | Functional | ChEMBL | 240 | 6 | 1 | 5 | 2.0 | C=CCn1c(SCCCC)nc(O)cc1=O | nan | ||
CHEMBL1334790 | 23639 | 10 | None | - | 0 | Human | 4.5 | pKi | = | 4.5 | Functional | ChEMBL | 240 | 6 | 1 | 5 | 2.0 | C=CCn1c(SCCCC)nc(O)cc1=O | nan | ||
649540 | 45777 | 10 | None | - | 0 | Human | 4.5 | pKi | = | 4.5 | Functional | ChEMBL | 447 | 8 | 2 | 6 | 4.5 | CCOc1cc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCc2ccccc2)ccc1O | nan | ||
CHEMBL1530728 | 45777 | 10 | None | - | 0 | Human | 4.5 | pKi | = | 4.5 | Functional | ChEMBL | 447 | 8 | 2 | 6 | 4.5 | CCOc1cc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCc2ccccc2)ccc1O | nan | ||
655344 | 66933 | 6 | None | - | 0 | Human | 4.5 | pKi | = | 4.5 | Functional | ChEMBL | 360 | 5 | 1 | 5 | 3.5 | O=C(C1=C(O)C(=O)N(Cc2ccccc2)C1c1cccnc1)c1ccco1 | nan | ||
CHEMBL1866204 | 66933 | 6 | None | - | 0 | Human | 4.5 | pKi | = | 4.5 | Functional | ChEMBL | 360 | 5 | 1 | 5 | 3.5 | O=C(C1=C(O)C(=O)N(Cc2ccccc2)C1c1cccnc1)c1ccco1 | nan | ||
2918354 | 27786 | 13 | None | - | 1 | Human | 4.5 | pKi | = | 4.5 | Functional | ChEMBL | 419 | 7 | 1 | 5 | 3.7 | COCCCN1C(=O)C(O)=C(C(=O)c2ccco2)C1c1cccc(Br)c1 | nan | ||
CHEMBL1370753 | 27786 | 13 | None | - | 1 | Human | 4.5 | pKi | = | 4.5 | Functional | ChEMBL | 419 | 7 | 1 | 5 | 3.7 | COCCCN1C(=O)C(O)=C(C(=O)c2ccco2)C1c1cccc(Br)c1 | nan | ||
646700 | 59917 | 19 | None | - | 0 | Human | 4.5 | pKi | = | 4.5 | Functional | ChEMBL | 279 | 5 | 1 | 3 | 3.0 | CCc1ccccc1NC(=O)C(C#N)Cc1cccnc1 | nan | ||
CHEMBL1731167 | 59917 | 19 | None | - | 0 | Human | 4.5 | pKi | = | 4.5 | Functional | ChEMBL | 279 | 5 | 1 | 3 | 3.0 | CCc1ccccc1NC(=O)C(C#N)Cc1cccnc1 | nan | ||
5849332 | 29427 | 11 | None | - | 0 | Human | 4.5 | pKi | = | 4.5 | Functional | ChEMBL | 397 | 7 | 1 | 6 | 3.4 | CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC3CCCO3)C2c2ccco2)cc1 | nan | ||
CHEMBL1384171 | 29427 | 11 | None | - | 0 | Human | 4.5 | pKi | = | 4.5 | Functional | ChEMBL | 397 | 7 | 1 | 6 | 3.4 | CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC3CCCO3)C2c2ccco2)cc1 | nan | ||
2947766 | 190203 | 9 | None | - | 1 | Human | 4.5 | pKi | = | 4.5 | Functional | ChEMBL | 486 | 3 | 2 | 7 | 4.5 | COc1cc(-n2nc(C)c3c2OC(N)=C(C#N)C3c2ccccc2)c(Cl)c(Br)c1O | nan | ||
CHEMBL517444 | 190203 | 9 | None | - | 1 | Human | 4.5 | pKi | = | 4.5 | Functional | ChEMBL | 486 | 3 | 2 | 7 | 4.5 | COc1cc(-n2nc(C)c3c2OC(N)=C(C#N)C3c2ccccc2)c(Cl)c(Br)c1O | nan | ||
5308660 | 22273 | 12 | None | - | 1 | Human | 4.5 | pKi | = | 4.5 | Functional | ChEMBL | 467 | 8 | 1 | 7 | 4.6 | COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2ccc(Cl)cc2)cc1 | nan | ||
CHEMBL1323550 | 22273 | 12 | None | - | 1 | Human | 4.5 | pKi | = | 4.5 | Functional | ChEMBL | 467 | 8 | 1 | 7 | 4.6 | COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2ccc(Cl)cc2)cc1 | nan | ||
5809588 | 45256 | 7 | None | - | 0 | Human | 5.5 | pKi | = | 5.5 | Functional | ChEMBL | 419 | 7 | 1 | 6 | 4.1 | COc1ccc(OC)c(C2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccco2)c1 | nan | ||
CHEMBL1526212 | 45256 | 7 | None | - | 0 | Human | 5.5 | pKi | = | 5.5 | Functional | ChEMBL | 419 | 7 | 1 | 6 | 4.1 | COc1ccc(OC)c(C2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccco2)c1 | nan | ||
3239469 | 20762 | 8 | None | - | 1 | Human | 4.5 | pKi | = | 4.5 | Functional | ChEMBL | 463 | 6 | 2 | 8 | 3.7 | O=C(O)CCCNc1cc(N2CCC3(CC2)OCCO3)c2noc3c2c1C(=O)c1ccccc1-3 | nan | ||
CHEMBL1309430 | 20762 | 8 | None | - | 1 | Human | 4.5 | pKi | = | 4.5 | Functional | ChEMBL | 463 | 6 | 2 | 8 | 3.7 | O=C(O)CCCNc1cc(N2CCC3(CC2)OCCO3)c2noc3c2c1C(=O)c1ccccc1-3 | nan | ||
2934282 | 22722 | 20 | None | - | 0 | Human | 4.5 | pKi | = | 4.5 | Functional | ChEMBL | 365 | 5 | 1 | 5 | 4.1 | O=C(C1=C(O)C(=O)N(Cc2ccco2)C1c1ccccc1)c1cccs1 | nan | ||
CHEMBL1327566 | 22722 | 20 | None | - | 0 | Human | 4.5 | pKi | = | 4.5 | Functional | ChEMBL | 365 | 5 | 1 | 5 | 4.1 | O=C(C1=C(O)C(=O)N(Cc2ccco2)C1c1ccccc1)c1cccs1 | nan | ||
135522128 | 31915 | 7 | None | - | 0 | Human | 4.5 | pKi | = | 4.5 | Functional | ChEMBL | 359 | 6 | 2 | 6 | 3.2 | CCC(Sc1nc(O)c2c(n1)CCC2)C(=O)Nc1cccc(OC)c1 | nan | ||
CHEMBL1407375 | 31915 | 7 | None | - | 0 | Human | 4.5 | pKi | = | 4.5 | Functional | ChEMBL | 359 | 6 | 2 | 6 | 3.2 | CCC(Sc1nc(O)c2c(n1)CCC2)C(=O)Nc1cccc(OC)c1 | nan | ||
3241118 | 80288 | 7 | None | - | 0 | Human | 4.4 | pKi | = | 4.4 | Functional | ChEMBL | 363 | 4 | 1 | 3 | 3.6 | O=C(NCc1cccnc1)C1c2ccccc2C(=O)N1C1CCCCCC1 | nan | ||
CHEMBL2140184 | 80288 | 7 | None | - | 0 | Human | 4.4 | pKi | = | 4.4 | Functional | ChEMBL | 363 | 4 | 1 | 3 | 3.6 | O=C(NCc1cccnc1)C1c2ccccc2C(=O)N1C1CCCCCC1 | nan | ||
661828 | 52122 | 14 | None | - | 3 | Human | 4.4 | pKi | = | 4.4 | Functional | ChEMBL | 460 | 6 | 1 | 8 | 4.5 | COc1ccc(OC)c(C2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2cc(C)on2)c1 | nan | ||
CHEMBL1587683 | 52122 | 14 | None | - | 3 | Human | 4.4 | pKi | = | 4.4 | Functional | ChEMBL | 460 | 6 | 1 | 8 | 4.5 | COc1ccc(OC)c(C2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2cc(C)on2)c1 | nan | ||
654182 | 44759 | 16 | None | - | 0 | Human | 4.4 | pKi | = | 4.4 | Functional | ChEMBL | 311 | 4 | 1 | 6 | 2.5 | CCOC(=O)Cc1cc(O)n2nc(C)c(-c3ccccc3)c2n1 | nan | ||
CHEMBL1521564 | 44759 | 16 | None | - | 0 | Human | 4.4 | pKi | = | 4.4 | Functional | ChEMBL | 311 | 4 | 1 | 6 | 2.5 | CCOC(=O)Cc1cc(O)n2nc(C)c(-c3ccccc3)c2n1 | nan | ||
652107 | 46690 | 13 | None | - | 0 | Human | 4.4 | pKi | = | 4.4 | Functional | ChEMBL | 433 | 8 | 1 | 6 | 4.1 | COc1ccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2CCc2ccccc2)cc1OC | nan | ||
CHEMBL1539091 | 46690 | 13 | None | - | 0 | Human | 4.4 | pKi | = | 4.4 | Functional | ChEMBL | 433 | 8 | 1 | 6 | 4.1 | COc1ccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2CCc2ccccc2)cc1OC | nan | ||
3243503 | 41083 | 2 | None | - | 0 | Human | 4.4 | pKi | = | 4.4 | Functional | ChEMBL | 454 | 4 | 1 | 5 | 3.6 | Cc1c(C(=O)NC2CCCc3ccccc32)oc2ccc(S(=O)(=O)N3CCOCC3)cc12 | nan | ||
CHEMBL1487874 | 41083 | 2 | None | - | 0 | Human | 4.4 | pKi | = | 4.4 | Functional | ChEMBL | 454 | 4 | 1 | 5 | 3.6 | Cc1c(C(=O)NC2CCCc3ccccc32)oc2ccc(S(=O)(=O)N3CCOCC3)cc12 | nan | ||
3244947 | 45676 | 3 | None | - | 2 | Human | 4.4 | pKi | = | 4.4 | Functional | ChEMBL | 478 | 6 | 1 | 7 | 4.6 | CCC(SC1=Nc2ccccc2C2=NC(CC(C)C)C(=O)N12)C(=O)Nc1ccc2c(c1)OCO2 | nan | ||
CHEMBL1529812 | 45676 | 3 | None | - | 2 | Human | 4.4 | pKi | = | 4.4 | Functional | ChEMBL | 478 | 6 | 1 | 7 | 4.6 | CCC(SC1=Nc2ccccc2C2=NC(CC(C)C)C(=O)N12)C(=O)Nc1ccc2c(c1)OCO2 | nan | ||
15993796 | 53748 | 1 | None | - | 0 | Human | 4.4 | pKi | = | 4.4 | Functional | ChEMBL | 397 | 7 | 2 | 6 | 2.7 | COc1ccc(C2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC(C)O)c(OC)c1 | nan | ||
CHEMBL1603724 | 53748 | 1 | None | - | 0 | Human | 4.4 | pKi | = | 4.4 | Functional | ChEMBL | 397 | 7 | 2 | 6 | 2.7 | COc1ccc(C2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC(C)O)c(OC)c1 | nan | ||
2911882 | 33971 | 14 | None | - | 0 | Human | 4.4 | pKi | = | 4.4 | Functional | ChEMBL | 439 | 7 | 1 | 8 | 4.3 | C=CCOc1ccc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nnc(C)s2)cc1 | nan | ||
CHEMBL1424261 | 33971 | 14 | None | - | 0 | Human | 4.4 | pKi | = | 4.4 | Functional | ChEMBL | 439 | 7 | 1 | 8 | 4.3 | C=CCOc1ccc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nnc(C)s2)cc1 | nan | ||
3238730 | 23509 | 6 | None | - | 1 | Human | 4.4 | pKi | = | 4.4 | Functional | ChEMBL | 359 | 2 | 2 | 5 | 3.6 | O=C(NC1CCCCC1)c1sc(=S)n2c1[nH]c(=O)c1ccccc12 | nan | ||
CHEMBL1333773 | 23509 | 6 | None | - | 1 | Human | 4.4 | pKi | = | 4.4 | Functional | ChEMBL | 359 | 2 | 2 | 5 | 3.6 | O=C(NC1CCCCC1)c1sc(=S)n2c1[nH]c(=O)c1ccccc12 | nan | ||
3245487 | 42696 | 4 | None | - | 0 | Human | 4.4 | pKi | = | 4.4 | Functional | ChEMBL | 474 | 8 | 3 | 7 | 3.4 | CCCCCNC(=O)c1ccc2c(=O)[nH]c3c(C(=O)NCC4CCCO4)sc(=S)n3c2c1 | nan | ||
CHEMBL1501475 | 42696 | 4 | None | - | 0 | Human | 4.4 | pKi | = | 4.4 | Functional | ChEMBL | 474 | 8 | 3 | 7 | 3.4 | CCCCCNC(=O)c1ccc2c(=O)[nH]c3c(C(=O)NCC4CCCO4)sc(=S)n3c2c1 | nan | ||
3242491 | 60268 | 7 | None | - | 0 | Human | 4.4 | pKi | = | 4.4 | Functional | ChEMBL | 377 | 4 | 1 | 3 | 4.0 | O=C(NCc1cccnc1)C1c2ccccc2C(=O)N1C1CCCCCCC1 | nan | ||
CHEMBL1741640 | 60268 | 7 | None | - | 0 | Human | 4.4 | pKi | = | 4.4 | Functional | ChEMBL | 377 | 4 | 1 | 3 | 4.0 | O=C(NCc1cccnc1)C1c2ccccc2C(=O)N1C1CCCCCCC1 | nan | ||
4523283 | 37210 | 8 | None | - | 1 | Human | 4.4 | pKi | = | 4.4 | Functional | ChEMBL | 442 | 5 | 3 | 4 | 4.9 | Cc1sc(NC(=O)C2CCCCC2C(=O)O)c(C(N)=O)c1-c1ccc(C(C)(C)C)cc1 | nan | ||
CHEMBL1453327 | 37210 | 8 | None | - | 1 | Human | 4.4 | pKi | = | 4.4 | Functional | ChEMBL | 442 | 5 | 3 | 4 | 4.9 | Cc1sc(NC(=O)C2CCCCC2C(=O)O)c(C(N)=O)c1-c1ccc(C(C)(C)C)cc1 | nan | ||
3242292 | 49990 | 8 | None | - | 0 | Human | 4.4 | pKi | = | 4.4 | Functional | ChEMBL | 433 | 7 | 2 | 7 | 2.6 | CC(C)OC(=O)c1cc(NC(=O)C2C3CCC(O3)C2C(=O)O)cc(C(=O)OC(C)C)c1 | nan | ||
CHEMBL1569039 | 49990 | 8 | None | - | 0 | Human | 4.4 | pKi | = | 4.4 | Functional | ChEMBL | 433 | 7 | 2 | 7 | 2.6 | CC(C)OC(=O)c1cc(NC(=O)C2C3CCC(O3)C2C(=O)O)cc(C(=O)OC(C)C)c1 | nan | ||
2949891 | 22229 | 14 | None | - | 1 | Human | 4.4 | pKi | = | 4.4 | Functional | ChEMBL | 432 | 8 | 1 | 6 | 4.6 | CCCOc1ccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2Cc2cccnc2)cc1 | nan | ||
5034814 | 22229 | 14 | None | - | 1 | Human | 4.4 | pKi | = | 4.4 | Functional | ChEMBL | 432 | 8 | 1 | 6 | 4.6 | CCCOc1ccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2Cc2cccnc2)cc1 | nan | ||
CHEMBL1323117 | 22229 | 14 | None | - | 1 | Human | 4.4 | pKi | = | 4.4 | Functional | ChEMBL | 432 | 8 | 1 | 6 | 4.6 | CCCOc1ccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2Cc2cccnc2)cc1 | nan | ||
5814637 | 51868 | 7 | None | - | 0 | Human | 4.4 | pKi | = | 4.4 | Functional | ChEMBL | 447 | 7 | 1 | 7 | 3.9 | COC(=O)c1ccc(C2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 | nan | ||
CHEMBL1585547 | 51868 | 7 | None | - | 0 | Human | 4.4 | pKi | = | 4.4 | Functional | ChEMBL | 447 | 7 | 1 | 7 | 3.9 | COC(=O)c1ccc(C2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 | nan | ||
714146 | 21296 | 13 | None | - | 0 | Human | 4.4 | pKi | = | 4.4 | Functional | ChEMBL | 230 | 3 | 1 | 3 | 4.1 | Cc1ccc(Nc2nc(C3CC3)cs2)cc1 | nan | ||
CHEMBL1313648 | 21296 | 13 | None | - | 0 | Human | 4.4 | pKi | = | 4.4 | Functional | ChEMBL | 230 | 3 | 1 | 3 | 4.1 | Cc1ccc(Nc2nc(C3CC3)cs2)cc1 | nan | ||
658861 | 21183 | 8 | None | - | 1 | Human | 4.3 | pKi | = | 4.3 | Functional | ChEMBL | 307 | 4 | 1 | 5 | 3.2 | CCCCn1c(NC(C)=O)c(C#N)c2nc3ccccc3nc21 | nan | ||
CHEMBL1312768 | 21183 | 8 | None | - | 1 | Human | 4.3 | pKi | = | 4.3 | Functional | ChEMBL | 307 | 4 | 1 | 5 | 3.2 | CCCCn1c(NC(C)=O)c(C#N)c2nc3ccccc3nc21 | nan | ||
665729 | 20510 | 11 | None | - | 0 | Human | 4.3 | pKi | = | 4.3 | Functional | ChEMBL | 474 | 5 | 2 | 8 | 3.8 | COc1cc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)on2)cc(Br)c1O | nan | ||
CHEMBL1307438 | 20510 | 11 | None | - | 0 | Human | 4.3 | pKi | = | 4.3 | Functional | ChEMBL | 474 | 5 | 2 | 8 | 3.8 | COc1cc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)on2)cc(Br)c1O | nan | ||
3239535 | 27288 | 7 | None | - | 0 | Human | 4.3 | pKi | = | 4.3 | Functional | ChEMBL | 367 | 1 | 3 | 6 | 4.6 | Cc1ccc(C2C3=C(O)CC(C)(C)CC3=Nc3nc(S)nc(O)c32)cc1 | nan | ||
CHEMBL1367155 | 27288 | 7 | None | - | 0 | Human | 4.3 | pKi | = | 4.3 | Functional | ChEMBL | 367 | 1 | 3 | 6 | 4.6 | Cc1ccc(C2C3=C(O)CC(C)(C)CC3=Nc3nc(S)nc(O)c32)cc1 | nan | ||
666948 | 54184 | 11 | None | - | 0 | Human | 4.3 | pKi | = | 4.3 | Functional | ChEMBL | 316 | 4 | 1 | 6 | 2.6 | COc1ccc(OC)c(C(=O)c2nc3c(n2O)CCCCC3)c1 | nan | ||
CHEMBL1607212 | 54184 | 11 | None | - | 0 | Human | 4.3 | pKi | = | 4.3 | Functional | ChEMBL | 316 | 4 | 1 | 6 | 2.6 | COc1ccc(OC)c(C(=O)c2nc3c(n2O)CCCCC3)c1 | nan | ||
3243635 | 107726 | 1 | None | - | 0 | Human | 4.3 | pKi | = | 4.3 | Functional | ChEMBL | 401 | 5 | 1 | 5 | 3.4 | CCC(CC)C(=O)/N=c1\c2cnn(-c3ccccc3)c2[nH]c(=O)n1-c1ccccc1 | nan | ||
CHEMBL3191155 | 107726 | 1 | None | - | 0 | Human | 4.3 | pKi | = | 4.3 | Functional | ChEMBL | 401 | 5 | 1 | 5 | 3.4 | CCC(CC)C(=O)/N=c1\c2cnn(-c3ccccc3)c2[nH]c(=O)n1-c1ccccc1 | nan | ||
5389834 | 24175 | 4 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 473 | 7 | 2 | 8 | 2.4 | COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)C2c2cccs2)c1C | nan | ||
CHEMBL1339330 | 24175 | 4 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 473 | 7 | 2 | 8 | 2.4 | COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)C2c2cccs2)c1C | nan | ||
754782 | 46601 | 11 | None | - | 0 | Human | 4.3 | pKi | = | 4.3 | Functional | ChEMBL | 278 | 2 | 1 | 5 | 2.5 | Cc1nc2c(C#N)c(C)nn2c(O)c1Cc1ccccc1 | nan | ||
CHEMBL1538337 | 46601 | 11 | None | - | 0 | Human | 4.3 | pKi | = | 4.3 | Functional | ChEMBL | 278 | 2 | 1 | 5 | 2.5 | Cc1nc2c(C#N)c(C)nn2c(O)c1Cc1ccccc1 | nan | ||
1043390 | 49922 | 7 | None | - | 1 | Human | 4.3 | pKi | = | 4.3 | Functional | ChEMBL | 383 | 5 | 1 | 10 | 1.4 | CC(C)OC(=O)c1nnn(-c2nonc2N)c1CN1CCc2ccccc2C1 | nan | ||
CHEMBL1568452 | 49922 | 7 | None | - | 1 | Human | 4.3 | pKi | = | 4.3 | Functional | ChEMBL | 383 | 5 | 1 | 10 | 1.4 | CC(C)OC(=O)c1nnn(-c2nonc2N)c1CN1CCc2ccccc2C1 | nan | ||
4781 | 4340 | 98 | None | 67 | 2 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 308 | 5 | 0 | 2 | 3.8 | CCCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O | nan | ||
CHEMBL101 | 4340 | 98 | None | 67 | 2 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 308 | 5 | 0 | 2 | 3.8 | CCCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O | nan | ||
870377 | 27441 | 8 | None | - | 2 | Human | 4.3 | pKi | = | 4.3 | Functional | ChEMBL | 315 | 1 | 1 | 4 | 4.1 | Cc1nn2c(O)c3c(nc2c1-c1cccc2ccccc12)CCC3 | nan | ||
CHEMBL1368337 | 27441 | 8 | None | - | 2 | Human | 4.3 | pKi | = | 4.3 | Functional | ChEMBL | 315 | 1 | 1 | 4 | 4.1 | Cc1nn2c(O)c3c(nc2c1-c1cccc2ccccc12)CCC3 | nan | ||
646794 | 46273 | 5 | None | - | 2 | Human | 4.3 | pKi | = | 4.3 | Functional | ChEMBL | 354 | 5 | 1 | 6 | 2.4 | O=C(C1=C(O)C(=O)N(CC2CCCO2)C1c1cccnc1)c1ccco1 | nan | ||
CHEMBL1535358 | 46273 | 5 | None | - | 2 | Human | 4.3 | pKi | = | 4.3 | Functional | ChEMBL | 354 | 5 | 1 | 6 | 2.4 | O=C(C1=C(O)C(=O)N(CC2CCCO2)C1c1cccnc1)c1ccco1 | nan | ||
5992808 | 39858 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 365 | 6 | 1 | 4 | 3.9 | COc1ccccc1C1C(C(=O)c2ccccc2)=C(O)C(=O)N1CC(C)C | nan | ||
CHEMBL1477329 | 39858 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 365 | 6 | 1 | 4 | 3.9 | COc1ccccc1C1C(C(=O)c2ccccc2)=C(O)C(=O)N1CC(C)C | nan | ||
2918125 | 46488 | 11 | None | - | 1 | Human | 4.3 | pKi | = | 4.3 | Functional | ChEMBL | 419 | 8 | 1 | 6 | 4.3 | COCCN1C(=O)C(O)=C(C(=O)c2ccco2)C1c1cccc(Oc2ccccc2)c1 | nan | ||
CHEMBL1537448 | 46488 | 11 | None | - | 1 | Human | 4.3 | pKi | = | 4.3 | Functional | ChEMBL | 419 | 8 | 1 | 6 | 4.3 | COCCN1C(=O)C(O)=C(C(=O)c2ccco2)C1c1cccc(Oc2ccccc2)c1 | nan | ||
2919487 | 59707 | 15 | None | - | 0 | Human | 4.2 | pKi | = | 4.2 | Functional | ChEMBL | 437 | 9 | 1 | 7 | 4.0 | CCOc1ccc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2CCCn2ccnc2)cc1 | nan | ||
CHEMBL1723342 | 59707 | 15 | None | - | 0 | Human | 4.2 | pKi | = | 4.2 | Functional | ChEMBL | 437 | 9 | 1 | 7 | 4.0 | CCOc1ccc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2CCCn2ccnc2)cc1 | nan | ||
5389956 | 30046 | 6 | None | - | 0 | Human | 4.2 | pKi | = | 4.2 | Functional | ChEMBL | 489 | 8 | 2 | 8 | 3.6 | COc1cc(C2C(C(=O)c3ccc4c(c3)CC(C)O4)=C(O)C(=O)N2CCCn2ccnc2)ccc1O | nan | ||
CHEMBL1389122 | 30046 | 6 | None | - | 0 | Human | 4.2 | pKi | = | 4.2 | Functional | ChEMBL | 489 | 8 | 2 | 8 | 3.6 | COc1cc(C2C(C(=O)c3ccc4c(c3)CC(C)O4)=C(O)C(=O)N2CCCn2ccnc2)ccc1O | nan | ||
6052305 | 42127 | 10 | None | - | 0 | Human | 4.2 | pKi | = | 4.2 | Functional | ChEMBL | 424 | 6 | 1 | 7 | 4.5 | CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)C2c2ccco2)cc1 | nan | ||
CHEMBL1496459 | 42127 | 10 | None | - | 0 | Human | 4.2 | pKi | = | 4.2 | Functional | ChEMBL | 424 | 6 | 1 | 7 | 4.5 | CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)C2c2ccco2)cc1 | nan | ||
661937 | 49165 | 9 | None | - | 0 | Human | 4.2 | pKi | = | 4.2 | Functional | ChEMBL | 447 | 7 | 1 | 7 | 3.1 | O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)C1c1ccccn1)c1cc2ccccc2o1 | nan | ||
CHEMBL1562262 | 49165 | 9 | None | - | 0 | Human | 4.2 | pKi | = | 4.2 | Functional | ChEMBL | 447 | 7 | 1 | 7 | 3.1 | O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)C1c1ccccn1)c1cc2ccccc2o1 | nan | ||
646278 | 19985 | 5 | None | - | 0 | Human | 4.2 | pKi | = | 4.2 | Functional | ChEMBL | 440 | 7 | 2 | 9 | 4.0 | CCc1nnc(NC(=O)CSc2nnc(-c3cc4ccccc4cc3O)n2CC)s1 | nan | ||
CHEMBL1303183 | 19985 | 5 | None | - | 0 | Human | 4.2 | pKi | = | 4.2 | Functional | ChEMBL | 440 | 7 | 2 | 9 | 4.0 | CCc1nnc(NC(=O)CSc2nnc(-c3cc4ccccc4cc3O)n2CC)s1 | nan | ||
3243318 | 20715 | 6 | None | - | 0 | Human | 4.2 | pKi | = | 4.2 | Functional | ChEMBL | 481 | 9 | 2 | 8 | 3.7 | COc1ccccc1-n1c(CNC(=O)c2ccco2)nnc1SCC(=O)Nc1ccc(F)cc1 | nan | ||
CHEMBL1309064 | 20715 | 6 | None | - | 0 | Human | 4.2 | pKi | = | 4.2 | Functional | ChEMBL | 481 | 9 | 2 | 8 | 3.7 | COc1ccccc1-n1c(CNC(=O)c2ccco2)nnc1SCC(=O)Nc1ccc(F)cc1 | nan | ||
3484193 | 47546 | 12 | None | - | 0 | Human | 4.2 | pKi | = | 4.2 | Functional | ChEMBL | 443 | 6 | 2 | 6 | 4.0 | CCOC(=O)c1c(NC(=O)C2C3CCC(O3)C2C(=O)O)sc(C)c1-c1ccc(C)cc1 | nan | ||
CHEMBL1546060 | 47546 | 12 | None | - | 0 | Human | 4.2 | pKi | = | 4.2 | Functional | ChEMBL | 443 | 6 | 2 | 6 | 4.0 | CCOC(=O)c1c(NC(=O)C2C3CCC(O3)C2C(=O)O)sc(C)c1-c1ccc(C)cc1 | nan | ||
5904 | 100392 | 40 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Functional | ChEMBL | 334 | 4 | 2 | 4 | 0.9 | CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O | nan | ||
CHEMBL1223 | 100392 | 40 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Functional | ChEMBL | 334 | 4 | 2 | 4 | 0.9 | CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O | nan | ||
CHEMBL29 | 100392 | 40 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Functional | ChEMBL | 334 | 4 | 2 | 4 | 0.9 | CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O | nan | ||
2218678 | 41003 | 11 | None | - | 0 | Human | 5.1 | pKi | = | 5.1 | Functional | ChEMBL | 325 | 8 | 0 | 3 | 2.7 | CC(C)CN(CC(C)C)C(=O)CS(=O)(=O)Cc1ccccc1 | nan | ||
CHEMBL1487270 | 41003 | 11 | None | - | 0 | Human | 5.1 | pKi | = | 5.1 | Functional | ChEMBL | 325 | 8 | 0 | 3 | 2.7 | CC(C)CN(CC(C)C)C(=O)CS(=O)(=O)Cc1ccccc1 | nan | ||
1306464 | 29895 | 18 | None | - | 0 | Human | 5.1 | pKi | = | 5.1 | Functional | ChEMBL | 376 | 4 | 0 | 6 | 4.6 | COc1ccccc1-c1c(C)oc2cc(OC(=O)c3ccco3)ccc2c1=O | nan | ||
CHEMBL1388022 | 29895 | 18 | None | - | 0 | Human | 5.1 | pKi | = | 5.1 | Functional | ChEMBL | 376 | 4 | 0 | 6 | 4.6 | COc1ccccc1-c1c(C)oc2cc(OC(=O)c3ccco3)ccc2c1=O | nan | ||
135468407 | 48991 | 1 | None | - | 0 | Human | 5.0 | pKi | = | 5.0 | Functional | ChEMBL | 498 | 7 | 2 | 10 | 4.0 | COc1ccc(Cl)cc1-n1c(=S)sc2c(O)nc(SCC(=O)NCC3CCCO3)nc21 | nan | ||
CHEMBL1560619 | 48991 | 1 | None | - | 0 | Human | 5.0 | pKi | = | 5.0 | Functional | ChEMBL | 498 | 7 | 2 | 10 | 4.0 | COc1ccc(Cl)cc1-n1c(=S)sc2c(O)nc(SCC(=O)NCC3CCCO3)nc21 | nan | ||
2911378 | 44311 | 13 | None | - | 0 | Human | 5.0 | pKi | = | 5.0 | Functional | ChEMBL | 416 | 8 | 1 | 6 | 4.0 | C=CCOc1ccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2cccnc2)cc1 | nan | ||
CHEMBL1517647 | 44311 | 13 | None | - | 0 | Human | 5.0 | pKi | = | 5.0 | Functional | ChEMBL | 416 | 8 | 1 | 6 | 4.0 | C=CCOc1ccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2cccnc2)cc1 | nan | ||
5739108 | 45490 | 8 | None | - | 0 | Human | 5.0 | pKi | = | 5.0 | Functional | ChEMBL | 482 | 8 | 2 | 8 | 2.1 | COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)C2c2ccccn2)c1C | nan | ||
CHEMBL1528253 | 45490 | 8 | None | - | 0 | Human | 5.0 | pKi | = | 5.0 | Functional | ChEMBL | 482 | 8 | 2 | 8 | 2.1 | COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)C2c2ccccn2)c1C | nan | ||
2918378 | 24777 | 14 | None | - | 0 | Human | 5.0 | pKi | = | 5 | Functional | ChEMBL | 421 | 9 | 1 | 7 | 3.5 | CCOc1ccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCn2ccnc2)cc1 | nan | ||
CHEMBL1344524 | 24777 | 14 | None | - | 0 | Human | 5.0 | pKi | = | 5 | Functional | ChEMBL | 421 | 9 | 1 | 7 | 3.5 | CCOc1ccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCn2ccnc2)cc1 | nan | ||
1024 | 1289 | 71 | None | 16 | 5 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | None | None | None | None | None | ||||
162639143 | 1289 | 71 | None | 16 | 5 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | None | None | None | None | None | ||||
5284373 | 1289 | 71 | None | 16 | 5 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | None | None | None | None | None | ||||
760 | 1289 | 71 | None | 16 | 5 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | None | None | None | None | None | ||||
CHEMBL160 | 1289 | 71 | None | 16 | 5 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | None | None | None | None | None | ||||
DB00091 | 1289 | 71 | None | 16 | 5 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | None | None | None | None | None | ||||
1023 | 1673 | 0 | None | 100 | 5 | Mouse | 10.0 | pEC50 | = | 10 | Functional | Guide to Pharmacology | None | None | None | None | 23160941 | ||||
1022 | 1669 | 55 | None | 4897 | 3 | Human | 10.2 | pEC50 | = | 10.2 | Functional | Guide to Pharmacology | None | None | None | None | 1262785 | ||||
1022 | 1669 | 55 | None | 4897 | 3 | Human | 10.2 | pEC50 | = | 10.2 | Functional | Guide to Pharmacology | None | None | None | None | 7387981 | ||||
443295 | 1669 | 55 | None | 4897 | 3 | Human | 10.2 | pEC50 | = | 10.2 | Functional | Guide to Pharmacology | None | None | None | None | 1262785 | ||||
443295 | 1669 | 55 | None | 4897 | 3 | Human | 10.2 | pEC50 | = | 10.2 | Functional | Guide to Pharmacology | None | None | None | None | 7387981 | ||||
CHEMBL267179 | 1669 | 55 | None | 4897 | 3 | Human | 10.2 | pEC50 | = | 10.2 | Functional | Guide to Pharmacology | None | None | None | None | 1262785 | ||||
CHEMBL267179 | 1669 | 55 | None | 4897 | 3 | Human | 10.2 | pEC50 | = | 10.2 | Functional | Guide to Pharmacology | None | None | None | None | 7387981 | ||||
1021 | 1666 | 0 | None | 10 | 2 | Human | 10.5 | pEC50 | = | 10.5 | Functional | Guide to Pharmacology | None | None | None | None | 2825171 | ||||
5841 | 1668 | 0 | None | 125 | 4 | Mouse | 10.7 | pEC50 | = | 10.7 | Functional | Guide to Pharmacology | None | None | None | None | 23160941 | ||||
1026 | 3652 | 0 | None | -2 | 2 | Mouse | 3.9 | pEC50 | = | 3.9 | Functional | Guide to Pharmacology | None | None | None | None | 11714831 | ||||
3081832 | 3652 | 0 | None | -2 | 2 | Mouse | 3.9 | pEC50 | = | 3.9 | Functional | Guide to Pharmacology | None | None | None | None | 11714831 | ||||
CHEMBL395493 | 3652 | 0 | None | -2 | 2 | Mouse | 3.9 | pEC50 | = | 3.9 | Functional | Guide to Pharmacology | None | None | None | None | 11714831 | ||||
1022 | 1669 | 55 | None | -4897 | 3 | Mouse | 4.7 | pEC50 | = | 4.7 | Functional | Guide to Pharmacology | None | None | None | None | 10477558 | ||||
1022 | 1669 | 55 | None | -4897 | 3 | Mouse | 4.7 | pEC50 | = | 4.7 | Functional | Guide to Pharmacology | None | None | None | None | 18606697 | ||||
443295 | 1669 | 55 | None | -4897 | 3 | Mouse | 4.7 | pEC50 | = | 4.7 | Functional | Guide to Pharmacology | None | None | None | None | 10477558 | ||||
443295 | 1669 | 55 | None | -4897 | 3 | Mouse | 4.7 | pEC50 | = | 4.7 | Functional | Guide to Pharmacology | None | None | None | None | 18606697 | ||||
CHEMBL267179 | 1669 | 55 | None | -4897 | 3 | Mouse | 4.7 | pEC50 | = | 4.7 | Functional | Guide to Pharmacology | None | None | None | None | 10477558 | ||||
CHEMBL267179 | 1669 | 55 | None | -4897 | 3 | Mouse | 4.7 | pEC50 | = | 4.7 | Functional | Guide to Pharmacology | None | None | None | None | 18606697 | ||||
3901842 | 307 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | Guide to Pharmacology | 358 | 6 | 2 | 6 | 3.2 | COc1ccc2c(c1)nc([nH]2)SCC(=O)Nc1ccc(cc1)[N+](=O)[O-] | 19903830 | ||
5833 | 307 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | Guide to Pharmacology | 358 | 6 | 2 | 6 | 3.2 | COc1ccc2c(c1)nc([nH]2)SCC(=O)Nc1ccc(cc1)[N+](=O)[O-] | 19903830 | ||
CHEMBL1290578 | 307 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | Guide to Pharmacology | 358 | 6 | 2 | 6 | 3.2 | COc1ccc2c(c1)nc([nH]2)SCC(=O)Nc1ccc(cc1)[N+](=O)[O-] | 19903830 | ||
5832 | 308 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | Guide to Pharmacology | 359 | 6 | 2 | 5 | 4.0 | COc1ccc2c(c1)nc([nH]2)SCC(=O)Nc1ccc(cc1)SC | 22127612 | ||
7342912 | 308 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | Guide to Pharmacology | 359 | 6 | 2 | 5 | 4.0 | COc1ccc2c(c1)nc([nH]2)SCC(=O)Nc1ccc(cc1)SC | 22127612 | ||
1044 | 425 | 0 | None | -1 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | Guide to Pharmacology | None | None | None | None | 10882119 | ||||
1044 | 425 | 0 | None | -1 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | Guide to Pharmacology | None | None | None | None | 12560218 | ||||
5834 | 1160 | 0 | None | -1 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | Guide to Pharmacology | 517 | 7 | 1 | 5 | 5.1 | COc1cccc(c1)Cc1cc(C)nn(c1=O)[C@@H](C(=O)Nc1ccc(cc1)Br)c1ccccc1 | 22607879 | ||
73755161 | 1160 | 0 | None | -1 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | Guide to Pharmacology | 517 | 7 | 1 | 5 | 5.1 | COc1cccc(c1)Cc1cc(C)nn(c1=O)[C@@H](C(=O)Nc1ccc(cc1)Br)c1ccccc1 | 22607879 | ||
1024 | 1289 | 71 | None | 16 | 5 | Human | 6.3 | pEC50 | = | 6.3 | Functional | Guide to Pharmacology | None | None | None | None | 9310346 | ||||
162639143 | 1289 | 71 | None | 16 | 5 | Human | 6.3 | pEC50 | = | 6.3 | Functional | Guide to Pharmacology | None | None | None | None | 9310346 | ||||
5284373 | 1289 | 71 | None | 16 | 5 | Human | 6.3 | pEC50 | = | 6.3 | Functional | Guide to Pharmacology | None | None | None | None | 9310346 | ||||
760 | 1289 | 71 | None | 16 | 5 | Human | 6.3 | pEC50 | = | 6.3 | Functional | Guide to Pharmacology | None | None | None | None | 9310346 | ||||
CHEMBL160 | 1289 | 71 | None | 16 | 5 | Human | 6.3 | pEC50 | = | 6.3 | Functional | Guide to Pharmacology | None | None | None | None | 9310346 | ||||
DB00091 | 1289 | 71 | None | 16 | 5 | Human | 6.3 | pEC50 | = | 6.3 | Functional | Guide to Pharmacology | None | None | None | None | 9310346 | ||||
155817478 | 1785 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | Guide to Pharmacology | None | None | None | None | 15699157 | ||||
5839 | 1785 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | Guide to Pharmacology | None | None | None | None | 15699157 | ||||
11024 | 688 | 19 | None | -12 | 4 | Mouse | 6.3 | pEC50 | = | 6.3 | Functional | Guide to Pharmacology | 361 | 4 | 3 | 3 | 2.4 | COc1cc(F)c(c(c1)F)[C@@H]1CNC(=O)[C@H]1NC(=O)Nc1ccccc1 | 32407089 | ||
122583088 | 688 | 19 | None | -12 | 4 | Mouse | 6.3 | pEC50 | = | 6.3 | Functional | Guide to Pharmacology | 361 | 4 | 3 | 3 | 2.4 | COc1cc(F)c(c(c1)F)[C@@H]1CNC(=O)[C@H]1NC(=O)Nc1ccccc1 | 32407089 | ||
CHEMBL4784510 | 688 | 19 | None | -12 | 4 | Mouse | 6.3 | pEC50 | = | 6.3 | Functional | Guide to Pharmacology | 361 | 4 | 3 | 3 | 2.4 | COc1cc(F)c(c(c1)F)[C@@H]1CNC(=O)[C@H]1NC(=O)Nc1ccccc1 | 32407089 | ||
11024 | 688 | 19 | None | -177 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | Guide to Pharmacology | 361 | 4 | 3 | 3 | 2.4 | COc1cc(F)c(c(c1)F)[C@@H]1CNC(=O)[C@H]1NC(=O)Nc1ccccc1 | 32407089 | ||
122583088 | 688 | 19 | None | -177 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | Guide to Pharmacology | 361 | 4 | 3 | 3 | 2.4 | COc1cc(F)c(c(c1)F)[C@@H]1CNC(=O)[C@H]1NC(=O)Nc1ccccc1 | 32407089 | ||
CHEMBL4784510 | 688 | 19 | None | -177 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | Guide to Pharmacology | 361 | 4 | 3 | 3 | 2.4 | COc1cc(F)c(c(c1)F)[C@@H]1CNC(=O)[C@H]1NC(=O)Nc1ccccc1 | 32407089 | ||
1031 | 423 | 0 | None | - | 1 | Mouse | 6.6 | pEC50 | = | 6.6 | Functional | Guide to Pharmacology | None | None | None | None | 11395373 | ||||
1031 | 423 | 0 | None | - | 1 | Mouse | 6.6 | pEC50 | = | 6.6 | Functional | Guide to Pharmacology | None | None | None | None | 17948261 | ||||
5835 | 309 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | Guide to Pharmacology | 404 | 7 | 1 | 6 | 3.8 | COc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)ccc1OCc1ccccc1 | 17229869 | ||
9618971 | 309 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | Guide to Pharmacology | 404 | 7 | 1 | 6 | 3.8 | COc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)ccc1OCc1ccccc1 | 17229869 | ||
CHEMBL1290251 | 309 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | Guide to Pharmacology | 404 | 7 | 1 | 6 | 3.8 | COc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)ccc1OCc1ccccc1 | 17229869 | ||
1023 | 1673 | 0 | None | -100 | 5 | Human | 8.0 | pEC50 | = | 8 | Functional | Guide to Pharmacology | None | None | None | None | 16025565 | ||||
5840 | 1670 | 0 | None | - | 1 | Mouse | 8.2 | pEC50 | = | 8.2 | Functional | Guide to Pharmacology | None | None | None | None | 23160941 | ||||
5838 | 3724 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Guide to Pharmacology | None | None | None | None | 10339497 | ||||
5838 | 3724 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Guide to Pharmacology | None | None | None | None | 10860818 | ||||
5841 | 1668 | 0 | None | -125 | 4 | Human | 8.6 | pEC50 | = | 8.6 | Functional | Guide to Pharmacology | None | None | None | None | 16025565 | ||||
5842 | 1667 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | Guide to Pharmacology | None | None | None | None | 16025565 | ||||
24776341 | 3239 | 39 | None | 20 | 4 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | Guide to Pharmacology | 384 | 4 | 2 | 4 | 4.6 | O=C(Nc1c(C(C)C)n(n(c1=O)c1ccccc1)C)Nc1ccc(cc1)Cl | 23160941 | ||
5831 | 3239 | 39 | None | 20 | 4 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | Guide to Pharmacology | 384 | 4 | 2 | 4 | 4.6 | O=C(Nc1c(C(C)C)n(n(c1=O)c1ccccc1)C)Nc1ccc(cc1)Cl | 23160941 | ||
CHEMBL379761 | 3239 | 39 | None | 20 | 4 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | Guide to Pharmacology | 384 | 4 | 2 | 4 | 4.6 | O=C(Nc1c(C(C)C)n(n(c1=O)c1ccccc1)C)Nc1ccc(cc1)Cl | 23160941 | ||
5837 | 1672 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | Guide to Pharmacology | None | None | None | None | 7559498 | ||||
134813890 | 2517 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | Guide to Pharmacology | None | None | None | None | 7559498 | ||||
5836 | 2517 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | Guide to Pharmacology | None | None | None | None | 7559498 | ||||
1048 | 4085 | 0 | None | -3 | 4 | Human | 9.0 | pEC50 | = | 9 | Functional | Guide to Pharmacology | None | None | None | None | 10586077 | ||||
1048 | 4085 | 0 | None | -3 | 4 | Mouse | 9.0 | pEC50 | = | 9 | Functional | Guide to Pharmacology | None | None | None | None | 11035102 | ||||
1048 | 4085 | 0 | None | -3 | 4 | Mouse | 9.0 | pEC50 | = | 9 | Functional | Guide to Pharmacology | None | None | None | None | 23160941 | ||||
1021 | 1666 | 0 | None | -10 | 2 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | Guide to Pharmacology | None | None | None | None | 23160941 | ||||
4781 | 4340 | 98 | None | 67 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 308 | 5 | 0 | 2 | 3.8 | CCCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O | None | ||
CHEMBL101 | 4340 | 98 | None | 67 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 308 | 5 | 0 | 2 | 3.8 | CCCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O | None | ||
1026 | 3652 | 0 | None | 2 | 2 | Human | 4.3 | pIC50 | = | 4.3 | Functional | Guide to Pharmacology | None | None | None | None | 11714831 | ||||
1026 | 3652 | 0 | None | 2 | 2 | Human | 4.3 | pIC50 | = | 4.3 | Functional | Guide to Pharmacology | None | None | None | None | 1373134 | ||||
3081832 | 3652 | 0 | None | 2 | 2 | Human | 4.3 | pIC50 | = | 4.3 | Functional | Guide to Pharmacology | None | None | None | None | 11714831 | ||||
3081832 | 3652 | 0 | None | 2 | 2 | Human | 4.3 | pIC50 | = | 4.3 | Functional | Guide to Pharmacology | None | None | None | None | 1373134 | ||||
CHEMBL395493 | 3652 | 0 | None | 2 | 2 | Human | 4.3 | pIC50 | = | 4.3 | Functional | Guide to Pharmacology | None | None | None | None | 11714831 | ||||
CHEMBL395493 | 3652 | 0 | None | 2 | 2 | Human | 4.3 | pIC50 | = | 4.3 | Functional | Guide to Pharmacology | None | None | None | None | 1373134 | ||||
2528 | 3700 | 85 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | Guide to Pharmacology | 404 | 6 | 0 | 3 | 3.8 | O=C1N(c2ccccc2)N(C(=O)C1CCS(=O)c1ccccc1)c1ccccc1 | 15964939 | ||
5342 | 3700 | 85 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | Guide to Pharmacology | 404 | 6 | 0 | 3 | 3.8 | O=C1N(c2ccccc2)N(C(=O)C1CCS(=O)c1ccccc1)c1ccccc1 | 15964939 | ||
5826 | 3700 | 85 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | Guide to Pharmacology | 404 | 6 | 0 | 3 | 3.8 | O=C1N(c2ccccc2)N(C(=O)C1CCS(=O)c1ccccc1)c1ccccc1 | 15964939 | ||
CHEMBL832 | 3700 | 85 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | Guide to Pharmacology | 404 | 6 | 0 | 3 | 3.8 | O=C1N(c2ccccc2)N(C(=O)C1CCS(=O)c1ccccc1)c1ccccc1 | 15964939 | ||
DB01138 | 3700 | 85 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | Guide to Pharmacology | 404 | 6 | 0 | 3 | 3.8 | O=C1N(c2ccccc2)N(C(=O)C1CCS(=O)c1ccccc1)c1ccccc1 | 15964939 | ||
5322194 | 1865 | 10 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | Guide to Pharmacology | 376 | 3 | 1 | 5 | 2.3 | CC(C(N1C(=S)S/C(=C\2/c3ccccc3N(C2=O)C)/C1=O)C(=O)O)C | 16118363 | ||
5827 | 1865 | 10 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | Guide to Pharmacology | 376 | 3 | 1 | 5 | 2.3 | CC(C(N1C(=S)S/C(=C\2/c3ccccc3N(C2=O)C)/C1=O)C(=O)O)C | 16118363 | ||
CHEMBL1770295 | 1865 | 10 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | Guide to Pharmacology | 376 | 3 | 1 | 5 | 2.3 | CC(C(N1C(=S)S/C(=C\2/c3ccccc3N(C2=O)C)/C1=O)C(=O)O)C | 16118363 | ||
1029 | 3762 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | Guide to Pharmacology | None | None | None | None | 1653806 | ||||
4329947 | 2501 | 1 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | Guide to Pharmacology | 423 | 8 | 2 | 5 | 5.2 | CSCCC(c1nc2c([nH]1)cccc2)NC(=O)c1oc2c(c1C)cc(cc2)OCC | 21486695 | ||
5829 | 2501 | 1 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | Guide to Pharmacology | 423 | 8 | 2 | 5 | 5.2 | CSCCC(c1nc2c([nH]1)cccc2)NC(=O)c1oc2c(c1C)cc(cc2)OCC | 21486695 | ||
CHEMBL1770297 | 2501 | 1 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | Guide to Pharmacology | 423 | 8 | 2 | 5 | 5.2 | CSCCC(c1nc2c([nH]1)cccc2)NC(=O)c1oc2c(c1C)cc(cc2)OCC | 21486695 | ||
53233899 | 1411 | 0 | None | 69 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | Guide to Pharmacology | 394 | 5 | 3 | 4 | 4.5 | Cc1ccc(s1)C(C(=O)Nc1c(C)cccc1C)NC(=O)c1ccccc1O | 21486695 | ||
5830 | 1411 | 0 | None | 69 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | Guide to Pharmacology | 394 | 5 | 3 | 4 | 4.5 | Cc1ccc(s1)C(C(=O)Nc1c(C)cccc1C)NC(=O)c1ccccc1O | 21486695 | ||
CHEMBL1770298 | 1411 | 0 | None | 69 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | Guide to Pharmacology | 394 | 5 | 3 | 4 | 4.5 | Cc1ccc(s1)C(C(=O)Nc1c(C)cccc1C)NC(=O)c1ccccc1O | 21486695 | ||
1030 | 3761 | 0 | None | 28 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | Guide to Pharmacology | None | None | None | None | 1653806 | ||||
5825 | 751 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | Guide to Pharmacology | 329 | 2 | 2 | 2 | 4.9 | Cc1ccc(c(c1)NC(=O)c1cc(Cl)cc(c1O)Cl)Cl | 22410002 | ||
73755160 | 751 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | Guide to Pharmacology | 329 | 2 | 2 | 2 | 4.9 | Cc1ccc(c(c1)NC(=O)c1cc(Cl)cc(c1O)Cl)Cl | 22410002 | ||
1028 | 1967 | 0 | None | - | 1 | Human | 6.6 | pIC50 | None | 6.6 | Functional | Guide to Pharmacology | None | None | None | None | 8573582 |
Ligands (move mouse cursor over ligand name to see structure) | Receptor | Assay information | Chemical information | |||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sel. page | Similar- ity |
Common name |
GPCRdb ID |
#Vendors |
Reference ligand |
Fold selectivity |
# Tested GPCRs |
Species |
p-value (-log) |
Activity Type |
Activity Relation |
Activity Value |
Assay Type |
Assay Description |
Source |
Mol weight |
Rot Bonds |
H don |
H acc |
LogP |
Smiles |
DOI |
CHEMBL5276622 | 193907 | 0 | None | - | 0 | Human | 9.2 | pEC50 | = | 9.2 | Binding | ChEMBL | 385 | 7 | 4 | 3 | 2.2 | CC(C)C[C@H](NC(=O)CNC(=O)Nc1ccc(Br)cc1)C(=O)O | 10.1016/j.ejmech.2021.113167 | |||
11024 | 688 | 19 | None | - | 0 | Mouse | 9.2 | pEC50 | = | 9.2 | Binding | ChEMBL | 361 | 4 | 3 | 3 | 2.4 | COc1cc(F)c(c(c1)F)[C@@H]1CNC(=O)[C@H]1NC(=O)Nc1ccccc1 | 10.1016/j.ejmech.2021.113167 | |||
122583088 | 688 | 19 | None | - | 0 | Mouse | 9.2 | pEC50 | = | 9.2 | Binding | ChEMBL | 361 | 4 | 3 | 3 | 2.4 | COc1cc(F)c(c(c1)F)[C@@H]1CNC(=O)[C@H]1NC(=O)Nc1ccccc1 | 10.1016/j.ejmech.2021.113167 | |||
CHEMBL4784510 | 688 | 19 | None | - | 0 | Mouse | 9.2 | pEC50 | = | 9.2 | Binding | ChEMBL | 361 | 4 | 3 | 3 | 2.4 | COc1cc(F)c(c(c1)F)[C@@H]1CNC(=O)[C@H]1NC(=O)Nc1ccccc1 | 10.1016/j.ejmech.2021.113167 | |||
CHEMBL5267736 | 193537 | 0 | None | - | 0 | Human | 9.0 | pEC50 | = | 9 | Binding | ChEMBL | 463 | 6 | 2 | 3 | 4.5 | COc1cc(F)c([C@H]2CCN(CC3CC3)C(=O)[C@@H]2NC(=O)Nc2ccc(Cl)cc2)c(F)c1 | 10.1016/j.ejmech.2021.113167 | |||
CHEMBL5275766 | 193871 | 0 | None | - | 0 | Human | 9.0 | pEC50 | = | 9 | Binding | ChEMBL | 448 | 6 | 2 | 4 | 3.9 | COc1ccc([C@@H]2CCN(Cc3ccccn3)C(=O)[C@@H]2NC(=O)Nc2ccc(F)cc2)cc1 | 10.1016/j.ejmech.2021.113167 | |||
CHEMBL5276203 | 193889 | 0 | None | - | 0 | Human | 9.0 | pEC50 | = | 9 | Binding | ChEMBL | 448 | 6 | 2 | 4 | 3.9 | COc1ccc([C@H]2CCN(Cc3ccccn3)C(=O)[C@@H]2NC(=O)Nc2ccc(F)cc2)cc1 | 10.1016/j.ejmech.2021.113167 | |||
CHEMBL5278464 | 193981 | 0 | None | - | 0 | Human | 9.0 | pEC50 | = | 9 | Binding | ChEMBL | 448 | 6 | 2 | 4 | 3.9 | COc1ccc([C@H]2CCN(Cc3cccnc3)C(=O)[C@@H]2NC(=O)Nc2ccc(F)cc2)cc1 | 10.1016/j.ejmech.2021.113167 | |||
CHEMBL5285824 | 194317 | 0 | None | - | 0 | Human | 9.0 | pEC50 | = | 9 | Binding | ChEMBL | 373 | 4 | 3 | 3 | 3.1 | COc1ccc([C@H]2CCNC(=O)[C@@H]2NC(=O)Nc2ccc(Cl)cc2)cc1 | 10.1016/j.ejmech.2021.113167 | |||
CHEMBL5286200 | 194338 | 0 | None | - | 0 | Human | 9.0 | pEC50 | = | 9 | Binding | ChEMBL | 473 | 7 | 2 | 3 | 5.3 | COc1cc(F)c([C@H]2CCN(CCC(F)F)C[C@@H]2NC(=O)Nc2ccc(Cl)cc2)c(F)c1 | 10.1016/j.ejmech.2021.113167 | |||
CHEMBL5290016 | 194490 | 0 | None | - | 0 | Human | 9.0 | pEC50 | = | 9 | Binding | ChEMBL | 437 | 5 | 2 | 5 | 4.3 | COc1ccc([C@H]2CCN(c3ccnnc3)C[C@@H]2NC(=O)Nc2ccc(Cl)cc2)cc1 | 10.1016/j.ejmech.2021.113167 | |||
CHEMBL5284816 | 194267 | 0 | None | - | 0 | Human | 8.8 | pEC50 | = | 8.8 | Binding | ChEMBL | 342 | 5 | 3 | 2 | 3.3 | CC(C)C(C(=O)O)C(C)NC(=O)Nc1ccc(Br)cc1 | 10.1016/j.ejmech.2021.113167 | |||
CHEMBL5280720 | 194080 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7 | Binding | ChEMBL | 506 | 7 | 3 | 6 | 2.4 | CS(=O)(=O)NCC1(c2ccc(N3CCC[C@@H](NC(=O)Nc4cnc(Cl)cn4)C3=O)cc2)CCC1 | 10.1016/j.ejmech.2021.113167 | |||
122592369 | 183020 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7 | Binding | ChEMBL | 359 | 4 | 3 | 3 | 2.8 | COc1ccc([C@@H]2CNC(=O)[C@@H]2NC(=O)Nc2ccc(Cl)cc2)cc1 | 10.1021/acs.jmedchem.9b02101 | |||
CHEMBL4793814 | 183020 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7 | Binding | ChEMBL | 359 | 4 | 3 | 3 | 2.8 | COc1ccc([C@@H]2CNC(=O)[C@@H]2NC(=O)Nc2ccc(Cl)cc2)cc1 | 10.1021/acs.jmedchem.9b02101 | |||
122582962 | 182712 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | 391 | 5 | 3 | 4 | 2.4 | COc1ccc(NC(=O)N[C@@H]2C(=O)NC[C@H]2c2c(F)cc(OC)cc2F)cc1 | 10.1021/acs.jmedchem.9b02101 | |||
CHEMBL4789579 | 182712 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | 391 | 5 | 3 | 4 | 2.4 | COc1ccc(NC(=O)N[C@@H]2C(=O)NC[C@H]2c2c(F)cc(OC)cc2F)cc1 | 10.1021/acs.jmedchem.9b02101 | |||
122583080 | 182809 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | 391 | 4 | 4 | 4 | 2.4 | COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(C)c(O)c2)c(F)c1 | 10.1021/acs.jmedchem.9b02101 | |||
CHEMBL4790836 | 182809 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | 391 | 4 | 4 | 4 | 2.4 | COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(C)c(O)c2)c(F)c1 | 10.1021/acs.jmedchem.9b02101 | |||
122487986 | 175974 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | 411 | 6 | 1 | 5 | 4.0 | COc1cccc(Cc2cc(C)nn(C(C)C(=O)Nc3ccc(Cl)cc3)c2=O)c1 | 10.1016/j.ejmech.2021.113167 | |||
CHEMBL4588649 | 175974 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | 411 | 6 | 1 | 5 | 4.0 | COc1cccc(Cc2cc(C)nn(C(C)C(=O)Nc3ccc(Cl)cc3)c2=O)c1 | 10.1016/j.ejmech.2021.113167 | |||
122488043 | 174266 | 0 | None | - | 0 | Human | 5.0 | pEC50 | = | 5 | Binding | ChEMBL | 427 | 7 | 1 | 6 | 3.5 | COc1ccc(OC)c(Cc2cc(C)nn(CC(=O)Nc3ccc(Cl)cc3)c2=O)c1 | 10.1021/acs.jmedchem.8b01912 | |||
CHEMBL4549250 | 174266 | 0 | None | - | 0 | Human | 5.0 | pEC50 | = | 5 | Binding | ChEMBL | 427 | 7 | 1 | 6 | 3.5 | COc1ccc(OC)c(Cc2cc(C)nn(CC(=O)Nc3ccc(Cl)cc3)c2=O)c1 | 10.1021/acs.jmedchem.8b01912 | |||
CHEMBL5287909 | 194400 | 0 | None | - | 0 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 460 | 4 | 2 | 3 | 5.0 | O=C(Nc1ccc(C(F)(F)F)cc1)N[C@@H]1CCCN(c2ccc(N3CCCCC3)cc2)C1=O | 10.1016/j.ejmech.2021.113167 | |||
122582941 | 180999 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 395 | 4 | 3 | 3 | 3.0 | COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(Cl)cc2)c(F)c1 | 10.1021/acs.jmedchem.9b02101 | |||
CHEMBL4758920 | 180999 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 395 | 4 | 3 | 3 | 3.0 | COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(Cl)cc2)c(F)c1 | 10.1021/acs.jmedchem.9b02101 | |||
CHEMBL5276320 | 193893 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 492 | 6 | 3 | 4 | 4.4 | COc1ccc(NC(=O)N[C@@H]2CCCN(c3ccc(-c4ccccc4C(N)=O)cc3)C2=O)cc1Cl | 10.1016/j.ejmech.2021.113167 | |||
122583133 | 181162 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 401 | 4 | 3 | 4 | 3.1 | COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(Cl)s2)c(F)c1 | 10.1021/acs.jmedchem.9b02101 | |||
CHEMBL4760897 | 181162 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 401 | 4 | 3 | 4 | 3.1 | COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(Cl)s2)c(F)c1 | 10.1021/acs.jmedchem.9b02101 | |||
122487981 | 173747 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 397 | 6 | 1 | 5 | 3.4 | COc1ccccc1Cc1cc(C)nn(CC(=O)Nc2ccc(Cl)cc2)c1=O | 10.1021/acs.jmedchem.8b01912 | |||
CHEMBL4536766 | 173747 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 397 | 6 | 1 | 5 | 3.4 | COc1ccccc1Cc1cc(C)nn(CC(=O)Nc2ccc(Cl)cc2)c1=O | 10.1021/acs.jmedchem.8b01912 | |||
155555898 | 174367 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 453 | 9 | 1 | 5 | 5.2 | CCCCC(C(=O)Nc1ccc(Cl)cc1)n1nc(C)cc(Cc2cccc(OC)c2)c1=O | 10.1021/acs.jmedchem.8b01912 | |||
CHEMBL4551649 | 174367 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 453 | 9 | 1 | 5 | 5.2 | CCCCC(C(=O)Nc1ccc(Cl)cc1)n1nc(C)cc(Cc2cccc(OC)c2)c1=O | 10.1021/acs.jmedchem.8b01912 | |||
CHEMBL5285738 | 194313 | 0 | None | - | 0 | Human | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 399 | 4 | 2 | 4 | 2.6 | O=C(Cn1c(=O)[nH]cc(-c2ccccc2)c1=O)Nc1ccc(Br)cc1 | 10.1016/j.ejmech.2021.113167 | |||
CHEMBL5283998 | 194237 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 411 | 6 | 1 | 5 | 4.0 | COc1cccc(Cc2cc(C)nn([C@@H](C)C(=O)Nc3ccc(Cl)cc3)c2=O)c1 | 10.1016/j.ejmech.2021.113167 | |||
CHEMBL5284816 | 194267 | 0 | None | - | 0 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 342 | 5 | 3 | 2 | 3.3 | CC(C)C(C(=O)O)C(C)NC(=O)Nc1ccc(Br)cc1 | 10.1016/j.ejmech.2021.113167 | |||
CHEMBL5279215 | 194019 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 484 | 9 | 4 | 5 | 3.9 | COc1ccc(NC(=O)N[C@@H](Cc2ccc(C#N)cc2)C(=O)NCC2(c3ccc(O)cc3)CC2)cc1 | 10.1016/j.ejmech.2021.113167 | |||
155516247 | 170029 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 411 | 6 | 1 | 5 | 4.0 | COc1ccccc1Cc1cc(C)nn(C(C)C(=O)Nc2ccc(Cl)cc2)c1=O | 10.1021/acs.jmedchem.8b01912 | |||
CHEMBL4442702 | 170029 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 411 | 6 | 1 | 5 | 4.0 | COc1ccccc1Cc1cc(C)nn(C(C)C(=O)Nc2ccc(Cl)cc2)c1=O | 10.1021/acs.jmedchem.8b01912 | |||
CHEMBL5280317 | 194060 | 0 | None | - | 0 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 419 | 7 | 4 | 3 | 2.4 | O=C(CNC(=O)Nc1ccc(Br)cc1)N[C@@H](Cc1ccccc1)C(=O)O | 10.1016/j.ejmech.2021.113167 | |||
CHEMBL5265989 | 193467 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 484 | 9 | 4 | 5 | 3.9 | COc1ccc(NC(=O)N[C@@H](Cc2ccc(C#N)cc2)C(=O)NCC2(c3cccc(O)c3)CC2)cc1 | 10.1016/j.ejmech.2021.113167 | |||
155519369 | 170378 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 441 | 7 | 1 | 6 | 4.0 | COc1cccc(Cc2cc(C)nn(C(C)C(=O)Nc3ccc(Cl)cc3)c2=O)c1OC | 10.1021/acs.jmedchem.8b01912 | |||
CHEMBL4447830 | 170378 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 441 | 7 | 1 | 6 | 4.0 | COc1cccc(Cc2cc(C)nn(C(C)C(=O)Nc3ccc(Cl)cc3)c2=O)c1OC | 10.1021/acs.jmedchem.8b01912 | |||
122487974 | 170414 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 497 | 9 | 1 | 5 | 5.3 | CCCCC(C(=O)Nc1ccc(Br)cc1)n1nc(C)cc(Cc2cccc(OC)c2)c1=O | 10.1021/acs.jmedchem.8b01912 | |||
CHEMBL4448213 | 170414 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 497 | 9 | 1 | 5 | 5.3 | CCCCC(C(=O)Nc1ccc(Br)cc1)n1nc(C)cc(Cc2cccc(OC)c2)c1=O | 10.1021/acs.jmedchem.8b01912 | |||
CHEMBL5273815 | 193781 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 474 | 4 | 2 | 4 | 3.9 | O=C(Nc1ccc(C(F)(F)F)cc1)N[C@H]1CCCN(c2ccc(N3CC4(COC4)C3)cc2)C1=O | 10.1016/j.ejmech.2021.113167 | |||
CHEMBL5277178 | 193926 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 481 | 6 | 3 | 4 | 3.7 | COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)NC2(c3ccc4cc(OC)ccc4c3)CC2)c(F)c1 | 10.1016/j.ejmech.2021.113167 | |||
122582977 | 182283 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 377 | 4 | 3 | 2 | 3.1 | CCc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(F)cc2)c(F)c1 | 10.1021/acs.jmedchem.9b02101 | |||
CHEMBL4783963 | 182283 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 377 | 4 | 3 | 2 | 3.1 | CCc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(F)cc2)c(F)c1 | 10.1021/acs.jmedchem.9b02101 | |||
CHEMBL5280794 | 194084 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 459 | 9 | 4 | 4 | 4.0 | COc1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC2(c3ccccc3)CC2)cc1 | 10.1016/j.ejmech.2021.113167 | |||
CHEMBL5278883 | 194003 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 451 | 5 | 1 | 5 | 4.1 | COc1cccc(-c2cc(C#N)c(C)n(CC(=O)Nc3ccc(Br)cc3)c2=O)c1 | 10.1016/j.ejmech.2021.113167 | |||
155519289 | 170365 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 427 | 7 | 1 | 6 | 3.5 | COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(Cl)cc3)c2=O)c1OC | 10.1021/acs.jmedchem.8b01912 | |||
CHEMBL4447632 | 170365 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 427 | 7 | 1 | 6 | 3.5 | COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(Cl)cc3)c2=O)c1OC | 10.1021/acs.jmedchem.8b01912 | |||
118132901 | 179798 | 0 | None | - | 0 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 379 | 4 | 3 | 3 | 2.5 | COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(F)cc2)cc1F | 10.1021/acs.jmedchem.9b02101 | |||
CHEMBL4744835 | 179798 | 0 | None | - | 0 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 379 | 4 | 3 | 3 | 2.5 | COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(F)cc2)cc1F | 10.1021/acs.jmedchem.9b02101 | |||
118132868 | 181418 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 379 | 4 | 3 | 3 | 2.5 | COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2cccc(F)c2)c(F)c1 | 10.1021/acs.jmedchem.9b02101 | |||
CHEMBL4763824 | 181418 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 379 | 4 | 3 | 3 | 2.5 | COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2cccc(F)c2)c(F)c1 | 10.1021/acs.jmedchem.9b02101 | |||
122487959 | 170437 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 443 | 5 | 1 | 4 | 4.2 | Cc1cc(Cc2ccccc2F)c(=O)n(C(C)C(=O)Nc2ccc(Br)cc2)n1 | 10.1021/acs.jmedchem.8b01912 | |||
CHEMBL4448576 | 170437 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 443 | 5 | 1 | 4 | 4.2 | Cc1cc(Cc2ccccc2F)c(=O)n(C(C)C(=O)Nc2ccc(Br)cc2)n1 | 10.1021/acs.jmedchem.8b01912 | |||
122487971 | 169616 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 443 | 5 | 1 | 4 | 4.2 | Cc1cc(Cc2ccc(F)cc2)c(=O)n(C(C)C(=O)Nc2ccc(Br)cc2)n1 | 10.1021/acs.jmedchem.8b01912 | |||
CHEMBL4436651 | 169616 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 443 | 5 | 1 | 4 | 4.2 | Cc1cc(Cc2ccc(F)cc2)c(=O)n(C(C)C(=O)Nc2ccc(Br)cc2)n1 | 10.1021/acs.jmedchem.8b01912 | |||
155540456 | 172951 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 425 | 7 | 1 | 5 | 4.4 | CCC(C(=O)Nc1ccc(Cl)cc1)n1nc(C)cc(Cc2ccccc2OC)c1=O | 10.1021/acs.jmedchem.8b01912 | |||
CHEMBL4517103 | 172951 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 425 | 7 | 1 | 5 | 4.4 | CCC(C(=O)Nc1ccc(Cl)cc1)n1nc(C)cc(Cc2ccccc2OC)c1=O | 10.1021/acs.jmedchem.8b01912 | |||
CHEMBL5271505 | 193688 | 0 | None | - | 0 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 455 | 6 | 1 | 5 | 3.9 | COc1cccc(Cc2c(C)c(C)nn(CC(=O)Nc3ccc(Br)cc3)c2=O)c1 | 10.1016/j.ejmech.2021.113167 | |||
122582983 | 180537 | 0 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 362 | 4 | 3 | 4 | 1.8 | COc1cnc([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(F)cc2)c(F)c1 | 10.1021/acs.jmedchem.9b02101 | |||
CHEMBL4753713 | 180537 | 0 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 362 | 4 | 3 | 4 | 1.8 | COc1cnc([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(F)cc2)c(F)c1 | 10.1021/acs.jmedchem.9b02101 | |||
122583086 | 182077 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 378 | 4 | 4 | 3 | 2.5 | CNc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(F)cc2)c(F)c1 | 10.1021/acs.jmedchem.9b02101 | |||
CHEMBL4781488 | 182077 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 378 | 4 | 4 | 3 | 2.5 | CNc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(F)cc2)c(F)c1 | 10.1021/acs.jmedchem.9b02101 | |||
44413534 | 138379 | 0 | None | - | 0 | Mouse | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 398 | 3 | 2 | 4 | 4.8 | Cn1c(C(C)(C)C)c(NC(=O)Nc2ccc(Cl)cc2)c(=O)n1-c1ccccc1 | 10.1016/j.ejmech.2021.113167 | |||
CHEMBL377226 | 138379 | 0 | None | - | 0 | Mouse | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 398 | 3 | 2 | 4 | 4.8 | Cn1c(C(C)(C)C)c(NC(=O)Nc2ccc(Cl)cc2)c(=O)n1-c1ccccc1 | 10.1016/j.ejmech.2021.113167 | |||
CHEMBL5278986 | 194007 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 512 | 6 | 3 | 6 | 3.3 | Cc1cnc(NC(=O)N[C@@H]2CCCN(c3ccc(-c4ccccc4NS(C)(=O)=O)cc3F)C2=O)cn1 | 10.1016/j.ejmech.2021.113167 | |||
122487958 | 174021 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 443 | 5 | 1 | 4 | 4.2 | Cc1cc(Cc2cccc(F)c2)c(=O)n(C(C)C(=O)Nc2ccc(Br)cc2)n1 | 10.1021/acs.jmedchem.8b01912 | |||
CHEMBL4543016 | 174021 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 443 | 5 | 1 | 4 | 4.2 | Cc1cc(Cc2cccc(F)c2)c(=O)n(C(C)C(=O)Nc2ccc(Br)cc2)n1 | 10.1021/acs.jmedchem.8b01912 | |||
CHEMBL5273627 | 193771 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 525 | 7 | 4 | 6 | 1.7 | CS(=O)(=O)NCC1(c2ccc(N3C[C@@H](O)C[C@@H](NC(=O)Nc4ncc(Cl)cc4F)C3=O)cc2)CC1 | 10.1016/j.ejmech.2021.113167 | |||
44236328 | 195676 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 397 | 6 | 1 | 5 | 3.4 | COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(Cl)cc3)c2=O)c1 | 10.1021/acs.jmedchem.8b01912 | |||
CHEMBL556625 | 195676 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 397 | 6 | 1 | 5 | 3.4 | COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(Cl)cc3)c2=O)c1 | 10.1021/acs.jmedchem.8b01912 | |||
CHEMBL5283221 | 194192 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 469 | 5 | 3 | 3 | 3.6 | COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)NC2(c3cccc(C(F)(F)F)c3)CC2)c(F)c1 | 10.1016/j.ejmech.2021.113167 | |||
154706263 | 173569 | 2 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 527 | 10 | 1 | 6 | 5.3 | CCCCC(C(=O)Nc1ccc(Br)cc1)n1nc(C)cc(Cc2cccc(OC)c2OC)c1=O | 10.1021/acs.jmedchem.8b01912 | |||
CHEMBL4532583 | 173569 | 2 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 527 | 10 | 1 | 6 | 5.3 | CCCCC(C(=O)Nc1ccc(Br)cc1)n1nc(C)cc(Cc2cccc(OC)c2OC)c1=O | 10.1021/acs.jmedchem.8b01912 | |||
122487965 | 169885 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 455 | 6 | 1 | 5 | 4.1 | COc1ccc(Cc2cc(C)nn(C(C)C(=O)Nc3ccc(Br)cc3)c2=O)cc1 | 10.1021/acs.jmedchem.8b01912 | |||
CHEMBL4440569 | 169885 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 455 | 6 | 1 | 5 | 4.1 | COc1ccc(Cc2cc(C)nn(C(C)C(=O)Nc3ccc(Br)cc3)c2=O)cc1 | 10.1021/acs.jmedchem.8b01912 | |||
155538591 | 172405 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 427 | 7 | 1 | 6 | 3.5 | COc1cccc(OC)c1Cc1cc(C)nn(CC(=O)Nc2ccc(Cl)cc2)c1=O | 10.1021/acs.jmedchem.8b01912 | |||
CHEMBL4476616 | 172405 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 427 | 7 | 1 | 6 | 3.5 | COc1cccc(OC)c1Cc1cc(C)nn(CC(=O)Nc2ccc(Cl)cc2)c1=O | 10.1021/acs.jmedchem.8b01912 | |||
122583076 | 182083 | 1 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 379 | 4 | 3 | 3 | 2.5 | COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(F)cc2)c(F)c1 | 10.1021/acs.jmedchem.9b02101 | |||
CHEMBL4781596 | 182083 | 1 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 379 | 4 | 3 | 3 | 2.5 | COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(F)cc2)c(F)c1 | 10.1021/acs.jmedchem.9b02101 | |||
11024 | 688 | 19 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 361 | 4 | 3 | 3 | 2.4 | COc1cc(F)c(c(c1)F)[C@@H]1CNC(=O)[C@H]1NC(=O)Nc1ccccc1 | 10.1021/acs.jmedchem.9b02101 | |||
122583088 | 688 | 19 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 361 | 4 | 3 | 3 | 2.4 | COc1cc(F)c(c(c1)F)[C@@H]1CNC(=O)[C@H]1NC(=O)Nc1ccccc1 | 10.1021/acs.jmedchem.9b02101 | |||
CHEMBL4784510 | 688 | 19 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 361 | 4 | 3 | 3 | 2.4 | COc1cc(F)c(c(c1)F)[C@@H]1CNC(=O)[C@H]1NC(=O)Nc1ccccc1 | 10.1021/acs.jmedchem.9b02101 | |||
155514516 | 169860 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 439 | 7 | 1 | 5 | 4.6 | COc1ccccc1Cc1cc(C)nn(C(C(=O)Nc2ccc(Cl)cc2)C(C)C)c1=O | 10.1021/acs.jmedchem.8b01912 | |||
CHEMBL4440250 | 169860 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 439 | 7 | 1 | 5 | 4.6 | COc1ccccc1Cc1cc(C)nn(C(C(=O)Nc2ccc(Cl)cc2)C(C)C)c1=O | 10.1021/acs.jmedchem.8b01912 | |||
162673503 | 183000 | 0 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 365 | 3 | 3 | 2 | 3.0 | O=C(Nc1ccc(F)cc1)N[C@@H]1C(=O)NC[C@H]1c1ccc(Cl)cc1F | 10.1021/acs.jmedchem.9b02101 | |||
CHEMBL4793557 | 183000 | 0 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 365 | 3 | 3 | 2 | 3.0 | O=C(Nc1ccc(F)cc1)N[C@@H]1C(=O)NC[C@H]1c1ccc(Cl)cc1F | 10.1021/acs.jmedchem.9b02101 | |||
122582929 | 181861 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 382 | 4 | 3 | 5 | 2.1 | COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2cc(C)ns2)c(F)c1 | 10.1021/acs.jmedchem.9b02101 | |||
CHEMBL4778725 | 181861 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 382 | 4 | 3 | 5 | 2.1 | COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2cc(C)ns2)c(F)c1 | 10.1021/acs.jmedchem.9b02101 | |||
CHEMBL5291461 | 194533 | 0 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 435 | 6 | 2 | 5 | 4.3 | COc1cc(F)c([C@@H]2CNC(=O)[C@H]2Nc2cc(-c3ccc(C(F)F)cc3)on2)c(F)c1 | 10.1016/j.ejmech.2021.113167 | |||
118132864 | 179734 | 0 | None | - | 0 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 359 | 4 | 3 | 3 | 2.8 | COc1ccc([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(Cl)cc2)cc1 | 10.1021/acs.jmedchem.9b02101 | |||
CHEMBL4744094 | 179734 | 0 | None | - | 0 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 359 | 4 | 3 | 3 | 2.8 | COc1ccc([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(Cl)cc2)cc1 | 10.1021/acs.jmedchem.9b02101 | |||
CHEMBL5283999 | 194238 | 0 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 547 | 5 | 2 | 5 | 4.9 | CC1(C)CN(c2ccc(-c3ccccc3P(C)(C)=O)c(F)c2F)C(=O)[C@@H]1NC(=O)Nc1cnc(Cl)cn1 | 10.1016/j.ejmech.2021.113167 | |||
122582964 | 180201 | 0 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 417 | 4 | 3 | 4 | 3.6 | COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2cc3ccccc3s2)c(F)c1 | 10.1021/acs.jmedchem.9b02101 | |||
CHEMBL4749577 | 180201 | 0 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 417 | 4 | 3 | 4 | 3.6 | COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2cc3ccccc3s2)c(F)c1 | 10.1021/acs.jmedchem.9b02101 | |||
118132864 | 179734 | 0 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 359 | 4 | 3 | 3 | 2.8 | COc1ccc([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(Cl)cc2)cc1 | 10.1021/acs.jmedchem.9b02101 | |||
CHEMBL4744094 | 179734 | 0 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 359 | 4 | 3 | 3 | 2.8 | COc1ccc([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(Cl)cc2)cc1 | 10.1021/acs.jmedchem.9b02101 | |||
CHEMBL5284349 | 194251 | 0 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 512 | 6 | 3 | 4 | 4.7 | CS(=O)(=O)Nc1ccccc1-c1ccc(N2CCC[C@@H](NC(=O)Nc3ccc(Cl)cc3)C2=O)cc1 | 10.1016/j.ejmech.2021.113167 | |||
122583009 | 181407 | 0 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 375 | 4 | 3 | 3 | 2.7 | COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(C)cc2)c(F)c1 | 10.1021/acs.jmedchem.9b02101 | |||
CHEMBL4763673 | 181407 | 0 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 375 | 4 | 3 | 3 | 2.7 | COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(C)cc2)c(F)c1 | 10.1021/acs.jmedchem.9b02101 | |||
CHEMBL5270733 | 193649 | 0 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 524 | 7 | 3 | 4 | 3.6 | CS(=O)(=O)NCC1(c2ccc(N3CCC[C@@H](NC(=O)Nc4ccc(C(F)(F)F)cc4)C3=O)cc2)CC1 | 10.1016/j.ejmech.2021.113167 | |||
CHEMBL5284802 | 194265 | 0 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 595 | 7 | 3 | 6 | 4.6 | COc1cc(-c2ccccc2NS(C)(=O)=O)ccc1N1CCC[C@@H](NC(=O)Nc2ncc(C(F)(F)F)cc2F)C1=O | 10.1016/j.ejmech.2021.113167 | |||
154725143 | 175671 | 2 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 497 | 9 | 1 | 5 | 5.3 | CCCCC(C(=O)Nc1ccc(Br)cc1)n1nc(C)cc(Cc2ccccc2OC)c1=O | 10.1021/acs.jmedchem.8b01912 | |||
CHEMBL4581644 | 175671 | 2 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 497 | 9 | 1 | 5 | 5.3 | CCCCC(C(=O)Nc1ccc(Br)cc1)n1nc(C)cc(Cc2ccccc2OC)c1=O | 10.1021/acs.jmedchem.8b01912 | |||
122487986 | 175974 | 0 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 411 | 6 | 1 | 5 | 4.0 | COc1cccc(Cc2cc(C)nn(C(C)C(=O)Nc3ccc(Cl)cc3)c2=O)c1 | 10.1021/acs.jmedchem.8b01912 | |||
CHEMBL4588649 | 175974 | 0 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 411 | 6 | 1 | 5 | 4.0 | COc1cccc(Cc2cc(C)nn(C(C)C(=O)Nc3ccc(Cl)cc3)c2=O)c1 | 10.1021/acs.jmedchem.8b01912 | |||
118132914 | 179592 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 386 | 4 | 3 | 4 | 2.2 | COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(C#N)cc2)c(F)c1 | 10.1021/acs.jmedchem.9b02101 | |||
CHEMBL4742149 | 179592 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 386 | 4 | 3 | 4 | 2.2 | COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(C#N)cc2)c(F)c1 | 10.1021/acs.jmedchem.9b02101 | |||
CHEMBL5284927 | 194272 | 0 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 411 | 6 | 1 | 5 | 4.0 | COc1cccc(Cc2cc(C)nn([C@H](C)C(=O)Nc3ccc(Cl)cc3)c2=O)c1 | 10.1016/j.ejmech.2021.113167 | |||
CHEMBL5276878 | 193915 | 0 | None | - | 0 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 371 | 7 | 4 | 3 | 1.9 | CCC[C@H](NC(=O)CNC(=O)Nc1ccc(Br)cc1)C(=O)O | 10.1016/j.ejmech.2021.113167 | |||
118132792 | 181668 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 411 | 4 | 4 | 4 | 2.7 | COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(Cl)c(O)c2)c(F)c1 | 10.1021/acs.jmedchem.9b02101 | |||
CHEMBL4776349 | 181668 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 411 | 4 | 4 | 4 | 2.7 | COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(Cl)c(O)c2)c(F)c1 | 10.1021/acs.jmedchem.9b02101 | |||
122582965 | 180937 | 0 | None | - | 0 | Human | 4.4 | pEC50 | = | 4.4 | Binding | ChEMBL | 374 | 3 | 3 | 3 | 2.4 | N#Cc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(F)cc2)c(F)c1 | 10.1021/acs.jmedchem.9b02101 | |||
CHEMBL4758129 | 180937 | 0 | None | - | 0 | Human | 4.4 | pEC50 | = | 4.4 | Binding | ChEMBL | 374 | 3 | 3 | 3 | 2.4 | N#Cc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(F)cc2)c(F)c1 | 10.1021/acs.jmedchem.9b02101 | |||
118132818 | 179653 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 377 | 4 | 3 | 3 | 2.9 | COc1ccc([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(F)cc2)c(Cl)c1 | 10.1021/acs.jmedchem.9b02101 | |||
CHEMBL4743133 | 179653 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 377 | 4 | 3 | 3 | 2.9 | COc1ccc([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(F)cc2)c(Cl)c1 | 10.1021/acs.jmedchem.9b02101 | |||
44413534 | 138379 | 0 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 398 | 3 | 2 | 4 | 4.8 | Cn1c(C(C)(C)C)c(NC(=O)Nc2ccc(Cl)cc2)c(=O)n1-c1ccccc1 | 10.1016/j.ejmech.2021.113167 | |||
CHEMBL377226 | 138379 | 0 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 398 | 3 | 2 | 4 | 4.8 | Cn1c(C(C)(C)C)c(NC(=O)Nc2ccc(Cl)cc2)c(=O)n1-c1ccccc1 | 10.1016/j.ejmech.2021.113167 | |||
CHEMBL5270501 | 193636 | 0 | None | - | 0 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 475 | 4 | 2 | 5 | 3.3 | O=C(Nc1ccc(C(F)(F)F)cn1)N[C@@H]1CCCN(c2ccc(N3CC4(COC4)C3)cc2)C1=O | 10.1016/j.ejmech.2021.113167 | |||
122487990 | 173865 | 0 | None | - | 0 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 391 | 7 | 1 | 5 | 3.4 | CCc1ccc(NC(=O)Cn2nc(C)cc(Cc3ccccc3OC)c2=O)cc1 | 10.1021/acs.jmedchem.8b01912 | |||
CHEMBL4539397 | 173865 | 0 | None | - | 0 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 391 | 7 | 1 | 5 | 3.4 | CCc1ccc(NC(=O)Cn2nc(C)cc(Cc3ccccc3OC)c2=O)cc1 | 10.1021/acs.jmedchem.8b01912 | |||
CHEMBL5284816 | 194267 | 0 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 342 | 5 | 3 | 2 | 3.3 | CC(C)C(C(=O)O)C(C)NC(=O)Nc1ccc(Br)cc1 | 10.1016/j.ejmech.2021.113167 | |||
24776341 | 3239 | 39 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 384 | 4 | 2 | 4 | 4.6 | O=C(Nc1c(C(C)C)n(n(c1=O)c1ccccc1)C)Nc1ccc(cc1)Cl | 10.1021/acs.jmedchem.8b01912 | |||
5831 | 3239 | 39 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 384 | 4 | 2 | 4 | 4.6 | O=C(Nc1c(C(C)C)n(n(c1=O)c1ccccc1)C)Nc1ccc(cc1)Cl | 10.1021/acs.jmedchem.8b01912 | |||
CHEMBL379761 | 3239 | 39 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 384 | 4 | 2 | 4 | 4.6 | O=C(Nc1c(C(C)C)n(n(c1=O)c1ccccc1)C)Nc1ccc(cc1)Cl | 10.1021/acs.jmedchem.8b01912 | |||
CHEMBL5282050 | 194140 | 0 | None | - | 0 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 459 | 9 | 4 | 4 | 4.0 | COc1ccc(NC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)NCC2(c3ccccc3)CC2)cc1 | 10.1016/j.ejmech.2021.113167 | |||
155523368 | 170785 | 0 | None | - | 0 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 415 | 6 | 1 | 5 | 3.6 | COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(Cl)cc3F)c2=O)c1 | 10.1021/acs.jmedchem.8b01912 | |||
CHEMBL4452950 | 170785 | 0 | None | - | 0 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 415 | 6 | 1 | 5 | 3.6 | COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(Cl)cc3F)c2=O)c1 | 10.1021/acs.jmedchem.8b01912 | |||
44236326 | 195322 | 0 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 441 | 6 | 1 | 5 | 3.6 | COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(Br)cc3)c2=O)c1 | 10.1021/acs.jmedchem.8b01912 | |||
CHEMBL551589 | 195322 | 0 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 441 | 6 | 1 | 5 | 3.6 | COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(Br)cc3)c2=O)c1 | 10.1021/acs.jmedchem.8b01912 | |||
155555363 | 174374 | 0 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 439 | 8 | 1 | 5 | 4.8 | CCCC(C(=O)Nc1ccc(Cl)cc1)n1nc(C)cc(Cc2ccccc2OC)c1=O | 10.1021/acs.jmedchem.8b01912 | |||
CHEMBL4551842 | 174374 | 0 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 439 | 8 | 1 | 5 | 4.8 | CCCC(C(=O)Nc1ccc(Cl)cc1)n1nc(C)cc(Cc2ccccc2OC)c1=O | 10.1021/acs.jmedchem.8b01912 | |||
122582903 | 182883 | 0 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 396 | 4 | 3 | 4 | 2.4 | COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(Cl)cn2)c(F)c1 | 10.1021/acs.jmedchem.9b02101 | |||
CHEMBL4792002 | 182883 | 0 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 396 | 4 | 3 | 4 | 2.4 | COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(Cl)cn2)c(F)c1 | 10.1021/acs.jmedchem.9b02101 | |||
CHEMBL5265951 | 193465 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 483 | 6 | 2 | 5 | 3.4 | O=C(Nc1ccc(Cl)cn1)N[C@@H]1CCCN(c2ccc(C3(CN4CCOCC4)CC3)cc2)C1=O | 10.1016/j.ejmech.2021.113167 | |||
118132817 | 180325 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 361 | 4 | 3 | 3 | 2.4 | COc1ccc([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(F)cc2)cc1F | 10.1021/acs.jmedchem.9b02101 | |||
CHEMBL4751168 | 180325 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 361 | 4 | 3 | 3 | 2.4 | COc1ccc([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(F)cc2)cc1F | 10.1021/acs.jmedchem.9b02101 | |||
122583049 | 180706 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 395 | 4 | 4 | 4 | 2.2 | COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(F)c(O)c2)c(F)c1 | 10.1021/acs.jmedchem.9b02101 | |||
CHEMBL4755590 | 180706 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 395 | 4 | 4 | 4 | 2.2 | COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(F)c(O)c2)c(F)c1 | 10.1021/acs.jmedchem.9b02101 | |||
122487964 | 172169 | 0 | None | - | 0 | Human | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 395 | 6 | 1 | 5 | 3.5 | COc1cccc(Cc2cc(C)nn(C(C)C(=O)Nc3cccc(F)c3)c2=O)c1 | 10.1021/acs.jmedchem.8b01912 | |||
CHEMBL4473444 | 172169 | 0 | None | - | 0 | Human | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 395 | 6 | 1 | 5 | 3.5 | COc1cccc(Cc2cc(C)nn(C(C)C(=O)Nc3cccc(F)c3)c2=O)c1 | 10.1021/acs.jmedchem.8b01912 | |||
CHEMBL5284903 | 194271 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 399 | 8 | 4 | 3 | 2.6 | CC(C)C[C@H](NC(=O)CCNC(=O)Nc1ccc(Br)cc1)C(=O)O | 10.1016/j.ejmech.2021.113167 | |||
122583163 | 179650 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 357 | 4 | 3 | 3 | 2.5 | COc1ccc([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(F)cc2)c(C)c1 | 10.1021/acs.jmedchem.9b02101 | |||
CHEMBL4743084 | 179650 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 357 | 4 | 3 | 3 | 2.5 | COc1ccc([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(F)cc2)c(C)c1 | 10.1021/acs.jmedchem.9b02101 | |||
CHEMBL5284927 | 194272 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 411 | 6 | 1 | 5 | 4.0 | COc1cccc(Cc2cc(C)nn([C@H](C)C(=O)Nc3ccc(Cl)cc3)c2=O)c1 | 10.1016/j.ejmech.2021.113167 | |||
122487986 | 175974 | 0 | None | - | 0 | Human | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 411 | 6 | 1 | 5 | 4.0 | COc1cccc(Cc2cc(C)nn(C(C)C(=O)Nc3ccc(Cl)cc3)c2=O)c1 | 10.1016/j.ejmech.2021.113167 | |||
CHEMBL4588649 | 175974 | 0 | None | - | 0 | Human | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 411 | 6 | 1 | 5 | 4.0 | COc1cccc(Cc2cc(C)nn(C(C)C(=O)Nc3ccc(Cl)cc3)c2=O)c1 | 10.1016/j.ejmech.2021.113167 | |||
122487972 | 175775 | 0 | None | - | 0 | Human | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 393 | 7 | 1 | 6 | 2.8 | COc1ccc(NC(=O)Cn2nc(C)cc(Cc3ccccc3OC)c2=O)cc1 | 10.1021/acs.jmedchem.8b01912 | |||
CHEMBL4583846 | 175775 | 0 | None | - | 0 | Human | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 393 | 7 | 1 | 6 | 2.8 | COc1ccc(NC(=O)Cn2nc(C)cc(Cc3ccccc3OC)c2=O)cc1 | 10.1021/acs.jmedchem.8b01912 | |||
122582974 | 179433 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 359 | 4 | 3 | 3 | 2.8 | COc1ccc(C2CNC(=O)C2NC(=O)Nc2ccc(Cl)cc2)cc1 | 10.1021/acs.jmedchem.9b02101 | |||
CHEMBL4740375 | 179433 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 359 | 4 | 3 | 3 | 2.8 | COc1ccc(C2CNC(=O)C2NC(=O)Nc2ccc(Cl)cc2)cc1 | 10.1021/acs.jmedchem.9b02101 | |||
122582993 | 181271 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 397 | 4 | 3 | 3 | 2.7 | COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(F)c(F)c2)c(F)c1 | 10.1021/acs.jmedchem.9b02101 | |||
CHEMBL4762030 | 181271 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 397 | 4 | 3 | 3 | 2.7 | COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(F)c(F)c2)c(F)c1 | 10.1021/acs.jmedchem.9b02101 | |||
146035588 | 170896 | 2 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 453 | 9 | 1 | 5 | 5.2 | CCCCC(C(=O)Nc1ccc(Cl)cc1)n1nc(C)cc(Cc2ccccc2OC)c1=O | 10.1021/acs.jmedchem.8b01912 | |||
CHEMBL4454594 | 170896 | 2 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 453 | 9 | 1 | 5 | 5.2 | CCCCC(C(=O)Nc1ccc(Cl)cc1)n1nc(C)cc(Cc2ccccc2OC)c1=O | 10.1021/acs.jmedchem.8b01912 | |||
146035588 | 170896 | 2 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 453 | 9 | 1 | 5 | 5.2 | CCCCC(C(=O)Nc1ccc(Cl)cc1)n1nc(C)cc(Cc2ccccc2OC)c1=O | 10.1021/acs.jmedchem.8b01912 | |||
CHEMBL4454594 | 170896 | 2 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 453 | 9 | 1 | 5 | 5.2 | CCCCC(C(=O)Nc1ccc(Cl)cc1)n1nc(C)cc(Cc2ccccc2OC)c1=O | 10.1021/acs.jmedchem.8b01912 | |||
122487970 | 171637 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 455 | 6 | 1 | 5 | 4.1 | COc1ccccc1Cc1cc(C)nn(C(C)C(=O)Nc2ccc(Br)cc2)c1=O | 10.1021/acs.jmedchem.8b01912 | |||
CHEMBL4465768 | 171637 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 455 | 6 | 1 | 5 | 4.1 | COc1ccccc1Cc1cc(C)nn(C(C)C(=O)Nc2ccc(Br)cc2)c1=O | 10.1021/acs.jmedchem.8b01912 | |||
122487968 | 175145 | 0 | None | - | 0 | Human | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 395 | 6 | 1 | 5 | 3.5 | COc1cccc(Cc2cc(C)nn(C(C)C(=O)Nc3ccc(F)cc3)c2=O)c1 | 10.1021/acs.jmedchem.8b01912 | |||
CHEMBL4569975 | 175145 | 0 | None | - | 0 | Human | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 395 | 6 | 1 | 5 | 3.5 | COc1cccc(Cc2cc(C)nn(C(C)C(=O)Nc3ccc(F)cc3)c2=O)c1 | 10.1021/acs.jmedchem.8b01912 | |||
122583126 | 179823 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 361 | 4 | 3 | 3 | 2.4 | COc1ccc([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(F)cc2)c(F)c1 | 10.1021/acs.jmedchem.9b02101 | |||
CHEMBL4745044 | 179823 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 361 | 4 | 3 | 3 | 2.4 | COc1ccc([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(F)cc2)c(F)c1 | 10.1021/acs.jmedchem.9b02101 | |||
CHEMBL5273792 | 193780 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 547 | 7 | 2 | 8 | 4.9 | COc1cc(F)c([C@@H]2CNC(=O)[C@H]2Nc2nnc(-c3ccc(Oc4ccc(C(F)(F)F)nc4)cc3)o2)c(F)c1 | 10.1016/j.ejmech.2021.113167 | |||
118132866 | 179708 | 0 | None | - | 0 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 343 | 4 | 3 | 3 | 2.2 | COc1ccc([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(F)cc2)cc1 | 10.1021/acs.jmedchem.9b02101 | |||
CHEMBL4743917 | 179708 | 0 | None | - | 0 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 343 | 4 | 3 | 3 | 2.2 | COc1ccc([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(F)cc2)cc1 | 10.1021/acs.jmedchem.9b02101 | |||
CHEMBL5288471 | 194427 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 446 | 5 | 3 | 3 | 3.9 | NC(=O)c1ccccc1-c1ccc(N2CCC[C@@H](NC(=O)Nc3ccc(F)cc3)C2=O)cc1 | 10.1016/j.ejmech.2021.113167 | |||
CHEMBL5284145 | 194246 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 455 | 6 | 1 | 5 | 3.9 | COc1ccc(Cc2c(C)c(C)nn(CC(=O)Nc3ccc(Br)cc3)c2=O)cc1 | 10.1016/j.ejmech.2021.113167 | |||
118132917 | 183002 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 359 | 4 | 3 | 3 | 2.8 | COc1ccc([C@H]2CNC(=O)[C@@H]2NC(=O)Nc2ccc(Cl)cc2)cc1 | 10.1021/acs.jmedchem.9b02101 | |||
CHEMBL4793603 | 183002 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 359 | 4 | 3 | 3 | 2.8 | COc1ccc([C@H]2CNC(=O)[C@@H]2NC(=O)Nc2ccc(Cl)cc2)cc1 | 10.1021/acs.jmedchem.9b02101 | |||
146035589 | 173729 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 483 | 10 | 1 | 6 | 5.2 | CCCCC(C(=O)Nc1ccc(Cl)cc1)n1nc(C)cc(Cc2cccc(OC)c2OC)c1=O | 10.1021/acs.jmedchem.8b01912 | |||
CHEMBL4536334 | 173729 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 483 | 10 | 1 | 6 | 5.2 | CCCCC(C(=O)Nc1ccc(Cl)cc1)n1nc(C)cc(Cc2cccc(OC)c2OC)c1=O | 10.1021/acs.jmedchem.8b01912 | |||
122582974 | 179433 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 359 | 4 | 3 | 3 | 2.8 | COc1ccc(C2CNC(=O)C2NC(=O)Nc2ccc(Cl)cc2)cc1 | 10.1021/acs.jmedchem.9b02101 | |||
CHEMBL4740375 | 179433 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 359 | 4 | 3 | 3 | 2.8 | COc1ccc(C2CNC(=O)C2NC(=O)Nc2ccc(Cl)cc2)cc1 | 10.1021/acs.jmedchem.9b02101 | |||
162659259 | 181233 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 439 | 4 | 3 | 3 | 3.1 | COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(Br)cc2)c(F)c1 | 10.1021/acs.jmedchem.9b02101 | |||
CHEMBL4761554 | 181233 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 439 | 4 | 3 | 3 | 3.1 | COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(Br)cc2)c(F)c1 | 10.1021/acs.jmedchem.9b02101 | |||
CHEMBL5284816 | 194267 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 342 | 5 | 3 | 2 | 3.3 | CC(C)C(C(=O)O)C(C)NC(=O)Nc1ccc(Br)cc1 | 10.1016/j.ejmech.2021.113167 | |||
CHEMBL6997 | 215866 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)Nc1cccc(C)c1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1021/jm950908d | |||||
53233899 | 1411 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 394 | 5 | 3 | 4 | 4.5 | Cc1ccc(s1)C(C(=O)Nc1c(C)cccc1C)NC(=O)c1ccccc1O | 10.1016/j.bmcl.2011.03.049 | |||
5830 | 1411 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 394 | 5 | 3 | 4 | 4.5 | Cc1ccc(s1)C(C(=O)Nc1c(C)cccc1C)NC(=O)c1ccccc1O | 10.1016/j.bmcl.2011.03.049 | |||
CHEMBL1770298 | 1411 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 394 | 5 | 3 | 4 | 4.5 | Cc1ccc(s1)C(C(=O)Nc1c(C)cccc1C)NC(=O)c1ccccc1O | 10.1016/j.bmcl.2011.03.049 | |||
CHEMBL268823 | 210768 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)NCC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1021/jm950908d | |||||
CHEMBL7214 | 215870 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | None | None | None | CCNC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1021/jm950908d | |||||
155557362 | 174643 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 560 | 6 | 1 | 6 | 5.4 | CC[C@]12C=C(C(=O)OC)n3c(c(CCNC(=O)c4ccc(Br)cc4)c4ccccc43)[C@H]1N(C#N)CCC2 | 10.1021/acs.jmedchem.9b01924 | |||
CHEMBL4558185 | 174643 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 560 | 6 | 1 | 6 | 5.4 | CC[C@]12C=C(C(=O)OC)n3c(c(CCNC(=O)c4ccc(Br)cc4)c4ccccc43)[C@H]1N(C#N)CCC2 | 10.1021/acs.jmedchem.9b01924 | |||
CHEMBL2372498 | 210259 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | None | None | None | CC(C)C[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@](O)(C(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@H](O)[C@H](C)C/C=C/CO)N(C)C(=O)[C@H](C(C)C)N(C)C1=O | 10.1021/jm010987v | |||||
70691873 | 73972 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 1200 | 15 | 4 | 11 | 4.5 | C/C=C/CC(C)C(C)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@H](C(C)C)C(=O)N1C | 10.1021/jm010987v | |||
CHEMBL2021596 | 73972 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 1200 | 15 | 4 | 11 | 4.5 | C/C=C/CC(C)C(C)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@H](C(C)C)C(=O)N1C | 10.1021/jm010987v | |||
CHEMBL2369724 | 209660 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | None | None | None | C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@H](CC(C)C)C(=O)N[C@H](C(C)C)C(=O)N(C)[C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@H]([C@H](C)CC)C(=O)N1C | 10.1021/jm010987v | |||||
CHEMBL2372478 | 210253 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | None | None | None | C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@H](CC(C)C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C | 10.1021/jm010987v | |||||
44263999 | 205091 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 558 | 15 | 5 | 6 | 3.3 | COc1ccc(NC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)NC(Cc2ccccc2)C(=O)O)cc1 | 10.1021/jm950908d | |||
CHEMBL7753 | 205091 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 558 | 15 | 5 | 6 | 3.3 | COc1ccc(NC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)NC(Cc2ccccc2)C(=O)O)cc1 | 10.1021/jm950908d | |||
CHEMBL266802 | 210700 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)Nc1ccc(C)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1021/jm950908d | |||||
CHEMBL267388 | 210718 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)Nc1ccc(Cl)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1021/jm950908d | |||||
1022 | 1669 | 55 | None | 38 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm950908d | |||||
443295 | 1669 | 55 | None | 38 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm950908d | |||||
CHEMBL267179 | 1669 | 55 | None | 38 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm950908d | |||||
9988173 | 161916 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 862 | 21 | 7 | 6 | 5.5 | CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1021/jm950908d | |||
CHEMBL415296 | 161916 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 862 | 21 | 7 | 6 | 5.5 | CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1021/jm950908d | |||
CHEMBL7122 | 215868 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)NC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1021/jm950908d | |||||
CHEMBL7486 | 215874 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | Cc1cccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)c1 | 10.1021/jm950908d | |||||
CHEMBL266448 | 210684 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | None | None | None | CCCNC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1021/jm950908d | |||||
CHEMBL7034 | 215867 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)NC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1021/jm950908d | |||||
CHEMBL7306 | 215872 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1021/jm950908d | |||||
CHEMBL2372474 | 210250 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | None | None | None | C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](C)C(=O)N(C)CC(=O)N(C)[C@H](CC(C)C)C(=O)N[C@H](C(C)C)C(=O)N(C)[C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C | 10.1021/jm010987v | |||||
CHEMBL2372461 | 210247 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | None | None | None | C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)CC(=O)N(C)[C@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N(C)[C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C | 10.1021/jm010987v | |||||
CHEMBL2372504 | 210260 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | None | None | None | C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)CC(=O)N(C)[C@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@](O)(C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C | 10.1021/jm010987v | |||||
CHEMBL2372477 | 210252 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | None | None | None | C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@H](CC(C)C)C(=O)N[C@H](C(C)C)C(=O)N(C)[C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C)C(=O)N1C | 10.1021/jm010987v | |||||
CHEMBL7520 | 215875 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1021/jm950908d | |||||
CHEMBL265408 | 210647 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | None | None | None | CCCCNC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1021/jm950908d | |||||
CHEMBL266089 | 210676 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | None | None | None | C=C(C)NC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1021/jm950908d | |||||
CHEMBL7363 | 215873 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | None | None | None | CCCCNC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1021/jm950908d | |||||
CHEMBL2372488 | 210257 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | None | None | None | C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N(C)[C@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@](O)(C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C | 10.1021/jm010987v | |||||
CHEMBL415299 | 213182 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)NC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1021/jm950908d | |||||
CHEMBL7181 | 215869 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | None | None | None | CNC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1021/jm950908d | |||||
CHEMBL2372495 | 210258 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | None | None | None | C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@H](CC(C)C)C(=O)N[C@H](C(C)C)C(=O)N(C)[C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C | 10.1021/jm010987v | |||||
4329947 | 2501 | 1 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 423 | 8 | 2 | 5 | 5.2 | CSCCC(c1nc2c([nH]1)cccc2)NC(=O)c1oc2c(c1C)cc(cc2)OCC | 10.1016/j.bmcl.2011.03.049 | |||
5829 | 2501 | 1 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 423 | 8 | 2 | 5 | 5.2 | CSCCC(c1nc2c([nH]1)cccc2)NC(=O)c1oc2c(c1C)cc(cc2)OCC | 10.1016/j.bmcl.2011.03.049 | |||
CHEMBL1770297 | 2501 | 1 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 423 | 8 | 2 | 5 | 5.2 | CSCCC(c1nc2c([nH]1)cccc2)NC(=O)c1oc2c(c1C)cc(cc2)OCC | 10.1016/j.bmcl.2011.03.049 | |||
CHEMBL2372506 | 210262 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | None | None | None | C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)CC(=O)N(C)[C@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C | 10.1021/jm010987v | |||||
CHEMBL2372456 | 210246 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | None | None | None | C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CCC)C(=O)N(C)CC(=O)N(C)[C@H](CC(C)C)C(=O)N[C@@H](CCC)C(=O)N(C)[C@H](CC(C)C)C(=O)NC(C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C | 10.1021/jm010987v | |||||
CHEMBL162488 | 208810 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | None | None | None | CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1021/jm950908d | |||||
CHEMBL2370883 | 209942 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | None | None | None | C/C=C/C[C@@H](C)[C@@H](O)C1NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](C(C)C)NC(=O)[C@@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H]([C@@H](C)O)NC1=O | 10.1021/jm010987v | |||||
CHEMBL2372486 | 210255 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | None | None | None | C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@](O)(C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C | 10.1021/jm010987v | |||||
CHEMBL2372507 | 210263 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | None | None | None | C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)CC(=O)N(C)[C@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@](O)(C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C | 10.1021/jm010987v | |||||
CHEMBL2372505 | 210261 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | None | None | None | C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)CC(=O)N(C)[C@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C | 10.1021/jm010987v | |||||
CHEMBL2372473 | 210249 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | None | None | None | CC/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@H](CC(C)C)C(=O)N[C@H](C(C)C)C(=O)N(C)[C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](CCCCN)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C | 10.1021/jm010987v | |||||
CHEMBL2372476 | 210251 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | None | None | None | CC[C@@H]1NC(=O)[C@H](CC2CCCCC2)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](C(C)C)NC(=O)[C@@H](CC(C)C)N(C)C(=O)CN(C)C1=O | 10.1021/jm010987v | |||||
CHEMBL2370885 | 209943 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | None | None | None | C/C=C/C[C@@H](C)[C@@H](O)C1NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](C(C)C)NC(=O)[C@@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O | 10.1021/jm010987v | |||||
CHEMBL2372466 | 210248 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | None | None | None | CC/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H]([C@@H](C)CC)C(=O)N[C@H](C(C)C)C(=O)N(C)[C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C | 10.1021/jm010987v | |||||
CHEMBL2372487 | 210256 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | None | None | None | C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)CC(=O)N(C)[C@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N(C)[C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@](O)(C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C | 10.1021/jm010987v | |||||
CHEMBL6450 | 215854 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | None | None | None | CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1021/jm950908d | |||||
CHEMBL7226 | 215871 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)NCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1021/jm950908d | |||||
10579232 | 203736 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 586 | 14 | 5 | 5 | 3.7 | CSCC[C@H](NC(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1021/jm950908d | |||
CHEMBL6779 | 203736 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 586 | 14 | 5 | 5 | 3.7 | CSCC[C@H](NC(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1021/jm950908d | |||
CHEMBL2372485 | 210254 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | None | None | None | C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@H](CC(C)C)C(=O)N[C@H](C(C)C)C(=O)N(C)[C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C | 10.1021/jm010987v | |||||
1022 | 1669 | 55 | None | 38 | 2 | Human | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm501018q | |||||
443295 | 1669 | 55 | None | 38 | 2 | Human | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm501018q | |||||
CHEMBL267179 | 1669 | 55 | None | 38 | 2 | Human | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm501018q | |||||
1022 | 1669 | 55 | None | 38 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2007.04.036 | |||||
443295 | 1669 | 55 | None | 38 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2007.04.036 | |||||
CHEMBL267179 | 1669 | 55 | None | 38 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2007.04.036 | |||||
5843 | 1671 | 0 | None | - | 1 | Mouse | 8.6 | pKd | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 23160941 | |||||
10133 | 910 | 78 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 392 | 4 | 3 | 3 | 4.5 | O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C | None | |||
145714624 | 910 | 78 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 392 | 4 | 3 | 3 | 4.5 | O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C | None | |||
4361 | 910 | 78 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 392 | 4 | 3 | 3 | 4.5 | O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C | None | |||
608 | 910 | 78 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 392 | 4 | 3 | 3 | 4.5 | O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C | None | |||
CHEMBL240597 | 910 | 78 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 392 | 4 | 3 | 3 | 4.5 | O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C | None | |||
DB06777 | 910 | 78 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 392 | 4 | 3 | 3 | 4.5 | O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C | None | |||
222528 | 1368 | 81 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 392 | 4 | 3 | 3 | 4.5 | O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C | None | |||
4988 | 1368 | 81 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 392 | 4 | 3 | 3 | 4.5 | O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C | None | |||
610 | 1368 | 81 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 392 | 4 | 3 | 3 | 4.5 | O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C | None | |||
CHEMBL406393 | 1368 | 81 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 392 | 4 | 3 | 3 | 4.5 | O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C | None | |||
DB03619 | 1368 | 81 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 392 | 4 | 3 | 3 | 4.5 | O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C | None | |||
2528 | 3700 | 85 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 404 | 6 | 0 | 3 | 3.8 | O=C1N(c2ccccc2)N(C(=O)C1CCS(=O)c1ccccc1)c1ccccc1 | None | |||
5342 | 3700 | 85 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 404 | 6 | 0 | 3 | 3.8 | O=C1N(c2ccccc2)N(C(=O)C1CCS(=O)c1ccccc1)c1ccccc1 | None | |||
5826 | 3700 | 85 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 404 | 6 | 0 | 3 | 3.8 | O=C1N(c2ccccc2)N(C(=O)C1CCS(=O)c1ccccc1)c1ccccc1 | None | |||
CHEMBL832 | 3700 | 85 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 404 | 6 | 0 | 3 | 3.8 | O=C1N(c2ccccc2)N(C(=O)C1CCS(=O)c1ccccc1)c1ccccc1 | None | |||
DB01138 | 3700 | 85 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 404 | 6 | 0 | 3 | 3.8 | O=C1N(c2ccccc2)N(C(=O)C1CCS(=O)c1ccccc1)c1ccccc1 | None | |||
10133 | 910 | 78 | None | - | 1 | Human | 4.0 | pKi | = | 4 | Binding | Guide to Pharmacology | 392 | 4 | 3 | 3 | 4.5 | O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C | 11211928 | |||
145714624 | 910 | 78 | None | - | 1 | Human | 4.0 | pKi | = | 4 | Binding | Guide to Pharmacology | 392 | 4 | 3 | 3 | 4.5 | O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C | 11211928 | |||
4361 | 910 | 78 | None | - | 1 | Human | 4.0 | pKi | = | 4 | Binding | Guide to Pharmacology | 392 | 4 | 3 | 3 | 4.5 | O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C | 11211928 | |||
608 | 910 | 78 | None | - | 1 | Human | 4.0 | pKi | = | 4 | Binding | Guide to Pharmacology | 392 | 4 | 3 | 3 | 4.5 | O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C | 11211928 | |||
CHEMBL240597 | 910 | 78 | None | - | 1 | Human | 4.0 | pKi | = | 4 | Binding | Guide to Pharmacology | 392 | 4 | 3 | 3 | 4.5 | O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C | 11211928 | |||
DB06777 | 910 | 78 | None | - | 1 | Human | 4.0 | pKi | = | 4 | Binding | Guide to Pharmacology | 392 | 4 | 3 | 3 | 4.5 | O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C | 11211928 | |||
222528 | 1368 | 81 | None | - | 1 | Human | 4.0 | pKi | = | 4 | Binding | Guide to Pharmacology | 392 | 4 | 3 | 3 | 4.5 | O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C | 11853704 | |||
4988 | 1368 | 81 | None | - | 1 | Human | 4.0 | pKi | = | 4 | Binding | Guide to Pharmacology | 392 | 4 | 3 | 3 | 4.5 | O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C | 11853704 | |||
610 | 1368 | 81 | None | - | 1 | Human | 4.0 | pKi | = | 4 | Binding | Guide to Pharmacology | 392 | 4 | 3 | 3 | 4.5 | O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C | 11853704 | |||
CHEMBL406393 | 1368 | 81 | None | - | 1 | Human | 4.0 | pKi | = | 4 | Binding | Guide to Pharmacology | 392 | 4 | 3 | 3 | 4.5 | O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C | 11853704 | |||
DB03619 | 1368 | 81 | None | - | 1 | Human | 4.0 | pKi | = | 4 | Binding | Guide to Pharmacology | 392 | 4 | 3 | 3 | 4.5 | O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C | 11853704 | |||
1030 | 3761 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | None | None | None | None | 8387097 | |||||
1025 | 1290 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | None | None | None | None | 17082621 | |||||
1025 | 1290 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | None | None | None | None | 8387097 | |||||
3092570 | 92 | 12 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | Guide to Pharmacology | 376 | 3 | 0 | 6 | 4.1 | CCc1cc2c(cc1OC(=O)C)oc(c(c2=O)c1nc2c(n1C)cccc2)C | 19807662 | |||
5828 | 92 | 12 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | Guide to Pharmacology | 376 | 3 | 0 | 6 | 4.1 | CCc1cc2c(cc1OC(=O)C)oc(c(c2=O)c1nc2c(n1C)cccc2)C | 19807662 | |||
CHEMBL1329101 | 92 | 12 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | Guide to Pharmacology | 376 | 3 | 0 | 6 | 4.1 | CCc1cc2c(cc1OC(=O)C)oc(c(c2=O)c1nc2c(n1C)cccc2)C | 19807662 |