Compile Data Set for Download or QSAR
Found 43 Enz. Inhib. hit(s) with all data for entry = 50037382
TargetRNA-directed RNA polymerase(Hepatitis C virus)
NeoGenesis Pharmaceuticals Inc.

Curated by ChEMBL
LigandPNGBDBM50157198(2-{Cyclohexyl-[4-(3-trifluoromethyl-benzyloxy)-ben...)
Show SMILES OC(=O)c1cnc(s1)N(C1CCCCC1)C(=O)c1ccc(OCc2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C25H23F3N2O4S/c26-25(27,28)18-6-4-5-16(13-18)15-34-20-11-9-17(10-12-20)22(31)30(19-7-2-1-3-8-19)24-29-14-21(35-24)23(32)33/h4-6,9-14,19H,1-3,7-8,15H2,(H,32,33)
Affinity DataIC50: 1.40E+3nMAssay Description:Inhibitory concentration against RNA dependent RNA polymerase nonstructural protein 5B of hepatitis C virusMore data for this Ligand-Target Pair
TargetRNA-directed RNA polymerase(Hepatitis C virus)
NeoGenesis Pharmaceuticals Inc.

Curated by ChEMBL
LigandPNGBDBM50157168(2-{Cyclohexyl-[4-(3,4-dichloro-phenoxy)-benzoyl]-a...)
Show SMILES OC(=O)c1cnc(s1)N(C1CCCCC1)C(=O)c1ccc(Oc2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C23H20Cl2N2O4S/c24-18-11-10-17(12-19(18)25)31-16-8-6-14(7-9-16)21(28)27(15-4-2-1-3-5-15)23-26-13-20(32-23)22(29)30/h6-13,15H,1-5H2,(H,29,30)
Affinity DataIC50: 2.60E+3nMAssay Description:Inhibitory concentration against RNA dependent RNA polymerase nonstructural protein 5B of hepatitis C virusMore data for this Ligand-Target Pair
TargetRNA-directed RNA polymerase(Hepatitis C virus)
NeoGenesis Pharmaceuticals Inc.

Curated by ChEMBL
LigandPNGBDBM50157178(2-[(R)-(4-tert-Butyl-cyclohexyl)-(4-phenoxy-benzoy...)
Show SMILES CC(C)(C)[C@H]1CCC(CC1)N(C(=O)c1ccc(Oc2ccccc2)cc1)c1nc(cs1)C(O)=O
Show InChI InChI=1S/C27H30N2O4S/c1-27(2,3)19-11-13-20(14-12-19)29(26-28-23(17-34-26)25(31)32)24(30)18-9-15-22(16-10-18)33-21-7-5-4-6-8-21/h4-10,15-17,19-20H,11-14H2,1-3H3,(H,31,32)/t19-,20?
Affinity DataIC50: 2.80E+3nMAssay Description:Inhibitory concentration against RNA dependent RNA polymerase nonstructural protein 5B of hepatitis C virusMore data for this Ligand-Target Pair
TargetRNA-directed RNA polymerase(Hepatitis C virus)
NeoGenesis Pharmaceuticals Inc.

Curated by ChEMBL
LigandPNGBDBM50157185(2-{[4-(3-Chloro-phenoxy)-benzoyl]-cyclohexyl-amino...)
Show SMILES OC(=O)c1cnc(s1)N(C1CCCCC1)C(=O)c1ccc(Oc2cccc(Cl)c2)cc1
Show InChI InChI=1S/C23H21ClN2O4S/c24-16-5-4-8-19(13-16)30-18-11-9-15(10-12-18)21(27)26(17-6-2-1-3-7-17)23-25-14-20(31-23)22(28)29/h4-5,8-14,17H,1-3,6-7H2,(H,28,29)
Affinity DataIC50: 2.80E+3nMAssay Description:Inhibitory concentration against RNA dependent RNA polymerase nonstructural protein 5B of hepatitis C virusMore data for this Ligand-Target Pair
TargetRNA-directed RNA polymerase(Hepatitis C virus)
NeoGenesis Pharmaceuticals Inc.

Curated by ChEMBL
LigandPNGBDBM50157169(2-{Cyclohexyl-[4-(3-methoxy-phenoxy)-benzoyl]-amin...)
Show SMILES COc1cccc(Oc2ccc(cc2)C(=O)N(C2CCCCC2)c2ncc(s2)C(O)=O)c1
Show InChI InChI=1S/C24H24N2O5S/c1-30-19-8-5-9-20(14-19)31-18-12-10-16(11-13-18)22(27)26(17-6-3-2-4-7-17)24-25-15-21(32-24)23(28)29/h5,8-15,17H,2-4,6-7H2,1H3,(H,28,29)
Affinity DataIC50: 3.10E+3nMAssay Description:Inhibitory concentration against RNA dependent RNA polymerase nonstructural protein 5B of hepatitis C virusMore data for this Ligand-Target Pair
TargetRNA-directed RNA polymerase(Hepatitis C virus)
NeoGenesis Pharmaceuticals Inc.

Curated by ChEMBL
LigandPNGBDBM50157192(2-{Cyclohexyl-[4-(3-methoxy-benzyloxy)-benzoyl]-am...)
Show SMILES COc1cccc(COc2ccc(cc2)C(=O)N(C2CCCCC2)c2ncc(s2)C(O)=O)c1
Show InChI InChI=1S/C25H26N2O5S/c1-31-21-9-5-6-17(14-21)16-32-20-12-10-18(11-13-20)23(28)27(19-7-3-2-4-8-19)25-26-15-22(33-25)24(29)30/h5-6,9-15,19H,2-4,7-8,16H2,1H3,(H,29,30)
Affinity DataIC50: 3.20E+3nMAssay Description:Inhibitory concentration against RNA dependent RNA polymerase nonstructural protein 5B of hepatitis C virusMore data for this Ligand-Target Pair
TargetRNA-directed RNA polymerase(Hepatitis C virus)
NeoGenesis Pharmaceuticals Inc.

Curated by ChEMBL
LigandPNGBDBM50409954(CHEMBL2092824)
Show SMILES CC(C)(C)[C@H]1CC[C@@H](CC1)N(C(=O)c1ccc(Oc2ccccc2)cc1)c1ncc(s1)C(O)=O
Show InChI InChI=1S/C27H30N2O4S/c1-27(2,3)19-11-13-20(14-12-19)29(26-28-17-23(34-26)25(31)32)24(30)18-9-15-22(16-10-18)33-21-7-5-4-6-8-21/h4-10,15-17,19-20H,11-14H2,1-3H3,(H,31,32)/t19-,20-
Affinity DataIC50: 3.40E+3nMAssay Description:Inhibitory concentration against RNA dependent RNA polymerase nonstructural protein 5B of hepatitis C virusMore data for this Ligand-Target Pair
TargetRNA-directed RNA polymerase(Hepatitis C virus)
NeoGenesis Pharmaceuticals Inc.

Curated by ChEMBL
LigandPNGBDBM50157184(2-{Cyclohexyl-[4-(3,4-dimethoxy-phenoxy)-benzoyl]-...)
Show SMILES COc1ccc(Oc2ccc(cc2)C(=O)N(C2CCCCC2)c2ncc(s2)C(O)=O)cc1OC
Show InChI InChI=1S/C25H26N2O6S/c1-31-20-13-12-19(14-21(20)32-2)33-18-10-8-16(9-11-18)23(28)27(17-6-4-3-5-7-17)25-26-15-22(34-25)24(29)30/h8-15,17H,3-7H2,1-2H3,(H,29,30)
Affinity DataIC50: 3.50E+3nMAssay Description:Inhibitory concentration against RNA dependent RNA polymerase nonstructural protein 5B of hepatitis C virusMore data for this Ligand-Target Pair
TargetRNA-directed RNA polymerase(Hepatitis C virus)
NeoGenesis Pharmaceuticals Inc.

Curated by ChEMBL
LigandPNGBDBM50157175(2-{Cyclohexyl-[4-(4-fluoro-benzyloxy)-benzoyl]-ami...)
Show SMILES OC(=O)c1cnc(s1)N(C1CCCCC1)C(=O)c1ccc(OCc2ccc(F)cc2)cc1
Show InChI InChI=1S/C24H23FN2O4S/c25-18-10-6-16(7-11-18)15-31-20-12-8-17(9-13-20)22(28)27(19-4-2-1-3-5-19)24-26-14-21(32-24)23(29)30/h6-14,19H,1-5,15H2,(H,29,30)
Affinity DataIC50: 3.90E+3nMAssay Description:Inhibitory concentration against RNA dependent RNA polymerase nonstructural protein 5B of hepatitis C virusMore data for this Ligand-Target Pair
TargetRNA-directed RNA polymerase(Hepatitis C virus)
NeoGenesis Pharmaceuticals Inc.

Curated by ChEMBL
LigandPNGBDBM50157180(2-{Cyclohexyl-[4-(2-fluoro-benzyloxy)-benzoyl]-ami...)
Show SMILES OC(=O)c1cnc(s1)N(C1CCCCC1)C(=O)c1ccc(OCc2ccccc2F)cc1
Show InChI InChI=1S/C24H23FN2O4S/c25-20-9-5-4-6-17(20)15-31-19-12-10-16(11-13-19)22(28)27(18-7-2-1-3-8-18)24-26-14-21(32-24)23(29)30/h4-6,9-14,18H,1-3,7-8,15H2,(H,29,30)
Affinity DataIC50: 4.00E+3nMAssay Description:Inhibitory concentration against RNA dependent RNA polymerase nonstructural protein 5B of hepatitis C virusMore data for this Ligand-Target Pair
TargetRNA-directed RNA polymerase(Hepatitis C virus)
NeoGenesis Pharmaceuticals Inc.

Curated by ChEMBL
LigandPNGBDBM50157188(2-{[4-(4-Chloro-phenoxy)-benzoyl]-cyclohexyl-amino...)
Show SMILES OC(=O)c1cnc(s1)N(C1CCCCC1)C(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C23H21ClN2O4S/c24-16-8-12-19(13-9-16)30-18-10-6-15(7-11-18)21(27)26(17-4-2-1-3-5-17)23-25-14-20(31-23)22(28)29/h6-14,17H,1-5H2,(H,28,29)
Affinity DataIC50: 4.40E+3nMAssay Description:Inhibitory concentration against RNA dependent RNA polymerase nonstructural protein 5B of hepatitis C virusMore data for this Ligand-Target Pair
TargetRNA-directed RNA polymerase(Hepatitis C virus)
NeoGenesis Pharmaceuticals Inc.

Curated by ChEMBL
LigandPNGBDBM50157177(2-{Cyclohexyl-[4-(3-trifluoromethyl-phenoxy)-benzo...)
Show SMILES OC(=O)c1cnc(s1)N(C1CCCCC1)C(=O)c1ccc(Oc2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C24H21F3N2O4S/c25-24(26,27)16-5-4-8-19(13-16)33-18-11-9-15(10-12-18)21(30)29(17-6-2-1-3-7-17)23-28-14-20(34-23)22(31)32/h4-5,8-14,17H,1-3,6-7H2,(H,31,32)
Affinity DataIC50: 4.40E+3nMAssay Description:Inhibitory concentration against RNA dependent RNA polymerase nonstructural protein 5B of hepatitis C virusMore data for this Ligand-Target Pair
TargetRNA-directed RNA polymerase(Hepatitis C virus)
NeoGenesis Pharmaceuticals Inc.

Curated by ChEMBL
LigandPNGBDBM50157178(2-[(R)-(4-tert-Butyl-cyclohexyl)-(4-phenoxy-benzoy...)
Show SMILES CC(C)(C)[C@H]1CCC(CC1)N(C(=O)c1ccc(Oc2ccccc2)cc1)c1nc(cs1)C(O)=O
Show InChI InChI=1S/C27H30N2O4S/c1-27(2,3)19-11-13-20(14-12-19)29(26-28-23(17-34-26)25(31)32)24(30)18-9-15-22(16-10-18)33-21-7-5-4-6-8-21/h4-10,15-17,19-20H,11-14H2,1-3H3,(H,31,32)/t19-,20?
Affinity DataIC50: 4.70E+3nMAssay Description:Inhibitory concentration against RNA dependent RNA polymerase nonstructural protein 5B of hepatitis C virusMore data for this Ligand-Target Pair
TargetRNA-directed RNA polymerase(Hepatitis C virus)
NeoGenesis Pharmaceuticals Inc.

Curated by ChEMBL
LigandPNGBDBM50409953(CHEMBL2092825)
Show SMILES C[C@H]1CC[C@@H](CC1)N(C(=O)c1ccc(Oc2ccccc2)cc1)c1ncc(s1)C(O)=O
Show InChI InChI=1S/C24H24N2O4S/c1-16-7-11-18(12-8-16)26(24-25-15-21(31-24)23(28)29)22(27)17-9-13-20(14-10-17)30-19-5-3-2-4-6-19/h2-6,9-10,13-16,18H,7-8,11-12H2,1H3,(H,28,29)/t16-,18-
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibitory concentration against RNA dependent RNA polymerase nonstructural protein 5B of hepatitis C virusMore data for this Ligand-Target Pair
TargetRNA-directed RNA polymerase(Hepatitis C virus)
NeoGenesis Pharmaceuticals Inc.

Curated by ChEMBL
LigandPNGBDBM50157201(2-{Cyclohexyl-[4-(2-trifluoromethyl-benzyloxy)-ben...)
Show SMILES OC(=O)c1cnc(s1)N(C1CCCCC1)C(=O)c1ccc(OCc2ccccc2C(F)(F)F)cc1
Show InChI InChI=1S/C25H23F3N2O4S/c26-25(27,28)20-9-5-4-6-17(20)15-34-19-12-10-16(11-13-19)22(31)30(18-7-2-1-3-8-18)24-29-14-21(35-24)23(32)33/h4-6,9-14,18H,1-3,7-8,15H2,(H,32,33)
Affinity DataIC50: 5.10E+3nMAssay Description:Inhibitory concentration against RNA dependent RNA polymerase nonstructural protein 5B of hepatitis C virusMore data for this Ligand-Target Pair
TargetRNA-directed RNA polymerase(Hepatitis C virus)
NeoGenesis Pharmaceuticals Inc.

Curated by ChEMBL
LigandPNGBDBM50157179(2-{Cyclohexyl-[4-(3-trifluoromethoxy-phenoxy)-benz...)
Show SMILES OC(=O)c1cnc(s1)N(C1CCCCC1)C(=O)c1ccc(Oc2cccc(OC(F)(F)F)c2)cc1
Show InChI InChI=1S/C24H21F3N2O5S/c25-24(26,27)34-19-8-4-7-18(13-19)33-17-11-9-15(10-12-17)21(30)29(16-5-2-1-3-6-16)23-28-14-20(35-23)22(31)32/h4,7-14,16H,1-3,5-6H2,(H,31,32)
Affinity DataIC50: 5.20E+3nMAssay Description:Inhibitory concentration against RNA dependent RNA polymerase nonstructural protein 5B of hepatitis C virusMore data for this Ligand-Target Pair
TargetRNA-directed RNA polymerase(Hepatitis C virus)
NeoGenesis Pharmaceuticals Inc.

Curated by ChEMBL
LigandPNGBDBM50157181(2-[(R)-(4-Methyl-cyclohexyl)-(4-phenoxy-benzoyl)-a...)
Show SMILES C[C@H]1CCC(CC1)N(C(=O)c1ccc(Oc2ccccc2)cc1)c1nc(cs1)C(O)=O
Show InChI InChI=1S/C24H24N2O4S/c1-16-7-11-18(12-8-16)26(24-25-21(15-31-24)23(28)29)22(27)17-9-13-20(14-10-17)30-19-5-3-2-4-6-19/h2-6,9-10,13-16,18H,7-8,11-12H2,1H3,(H,28,29)/t16-,18?
Affinity DataIC50: 5.40E+3nMAssay Description:Inhibitory concentration against RNA dependent RNA polymerase nonstructural protein 5B of hepatitis C virusMore data for this Ligand-Target Pair
TargetRNA-directed RNA polymerase(Hepatitis C virus)
NeoGenesis Pharmaceuticals Inc.

Curated by ChEMBL
LigandPNGBDBM50157202(2-[Cyclohexyl-(4-cyclohexyloxy-benzoyl)-amino]-thi...)
Show SMILES OC(=O)c1cnc(s1)N(C1CCCCC1)C(=O)c1ccc(OC2CCCCC2)cc1
Show InChI InChI=1S/C23H28N2O4S/c26-21(16-11-13-19(14-12-16)29-18-9-5-2-6-10-18)25(17-7-3-1-4-8-17)23-24-15-20(30-23)22(27)28/h11-15,17-18H,1-10H2,(H,27,28)
Affinity DataIC50: 5.50E+3nMAssay Description:Inhibitory concentration against RNA dependent RNA polymerase nonstructural protein 5B of hepatitis C virusMore data for this Ligand-Target Pair
TargetRNA-directed RNA polymerase(Hepatitis C virus)
NeoGenesis Pharmaceuticals Inc.

Curated by ChEMBL
LigandPNGBDBM50157170(2-[(R)-(4-Phenoxy-benzoyl)-((S)-3,3,5-trimethyl-cy...)
Show SMILES C[C@@H]1CC(CC(C)(C)C1)N(C(=O)c1ccc(Oc2ccccc2)cc1)c1nc(cs1)C(O)=O
Show InChI InChI=1S/C26H28N2O4S/c1-17-13-19(15-26(2,3)14-17)28(25-27-22(16-33-25)24(30)31)23(29)18-9-11-21(12-10-18)32-20-7-5-4-6-8-20/h4-12,16-17,19H,13-15H2,1-3H3,(H,30,31)/t17-,19?/m1/s1
Affinity DataIC50: 5.50E+3nMAssay Description:Inhibitory concentration against RNA dependent RNA polymerase nonstructural protein 5B of hepatitis C virusMore data for this Ligand-Target Pair
TargetRNA-directed RNA polymerase(Hepatitis C virus)
NeoGenesis Pharmaceuticals Inc.

Curated by ChEMBL
LigandPNGBDBM50157181(2-[(R)-(4-Methyl-cyclohexyl)-(4-phenoxy-benzoyl)-a...)
Show SMILES C[C@H]1CCC(CC1)N(C(=O)c1ccc(Oc2ccccc2)cc1)c1nc(cs1)C(O)=O
Show InChI InChI=1S/C24H24N2O4S/c1-16-7-11-18(12-8-16)26(24-25-21(15-31-24)23(28)29)22(27)17-9-13-20(14-10-17)30-19-5-3-2-4-6-19/h2-6,9-10,13-16,18H,7-8,11-12H2,1H3,(H,28,29)/t16-,18?
Affinity DataIC50: 5.70E+3nMAssay Description:Inhibitory concentration against RNA dependent RNA polymerase nonstructural protein 5B of hepatitis C virusMore data for this Ligand-Target Pair
TargetRNA-directed RNA polymerase(Hepatitis C virus)
NeoGenesis Pharmaceuticals Inc.

Curated by ChEMBL
LigandPNGBDBM50157193(2-[(R)-(4-Phenoxy-benzoyl)-((S)-3,3,5-trimethyl-cy...)
Show SMILES C[C@@H]1CC(CC(C)(C)C1)N(C(=O)c1ccc(Oc2ccccc2)cc1)c1ncc(s1)C(O)=O
Show InChI InChI=1S/C26H28N2O4S/c1-17-13-19(15-26(2,3)14-17)28(25-27-16-22(33-25)24(30)31)23(29)18-9-11-21(12-10-18)32-20-7-5-4-6-8-20/h4-12,16-17,19H,13-15H2,1-3H3,(H,30,31)/t17-,19?/m1/s1
Affinity DataIC50: 6.00E+3nMAssay Description:Inhibitory concentration against RNA dependent RNA polymerase nonstructural protein 5B of hepatitis C virusMore data for this Ligand-Target Pair
TargetRNA-directed RNA polymerase(Hepatitis C virus)
NeoGenesis Pharmaceuticals Inc.

Curated by ChEMBL
LigandPNGBDBM50409954(CHEMBL2092824)
Show SMILES CC(C)(C)[C@H]1CC[C@@H](CC1)N(C(=O)c1ccc(Oc2ccccc2)cc1)c1ncc(s1)C(O)=O
Show InChI InChI=1S/C27H30N2O4S/c1-27(2,3)19-11-13-20(14-12-19)29(26-28-17-23(34-26)25(31)32)24(30)18-9-15-22(16-10-18)33-21-7-5-4-6-8-21/h4-10,15-17,19-20H,11-14H2,1-3H3,(H,31,32)/t19-,20-
Affinity DataIC50: 6.00E+3nMAssay Description:Inhibitory concentration against RNA dependent RNA polymerase nonstructural protein 5B of hepatitis C virusMore data for this Ligand-Target Pair
TargetRNA-directed RNA polymerase(Hepatitis C virus)
NeoGenesis Pharmaceuticals Inc.

Curated by ChEMBL
LigandPNGBDBM50409955(CHEMBL2092823)
Show SMILES C[C@H]1CCCC[C@@H]1N(C(=O)c1ccc(Oc2ccccc2)cc1)c1ncc(s1)C(O)=O
Show InChI InChI=1S/C24H24N2O4S/c1-16-7-5-6-10-20(16)26(24-25-15-21(31-24)23(28)29)22(27)17-11-13-19(14-12-17)30-18-8-3-2-4-9-18/h2-4,8-9,11-16,20H,5-7,10H2,1H3,(H,28,29)/t16-,20-/m0/s1
Affinity DataIC50: 6.10E+3nMAssay Description:Inhibitory concentration against RNA dependent RNA polymerase nonstructural protein 5B of hepatitis C virusMore data for this Ligand-Target Pair
TargetRNA-directed RNA polymerase(Hepatitis C virus)
NeoGenesis Pharmaceuticals Inc.

Curated by ChEMBL
LigandPNGBDBM50157182(2-[(4-Benzyloxy-benzoyl)-cyclohexyl-amino]-thiazol...)
Show SMILES OC(=O)c1cnc(s1)N(C1CCCCC1)C(=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C24H24N2O4S/c27-22(18-11-13-20(14-12-18)30-16-17-7-3-1-4-8-17)26(19-9-5-2-6-10-19)24-25-15-21(31-24)23(28)29/h1,3-4,7-8,11-15,19H,2,5-6,9-10,16H2,(H,28,29)
Affinity DataIC50: 6.50E+3nMAssay Description:Inhibitory concentration against RNA dependent RNA polymerase nonstructural protein 5B of hepatitis C virusMore data for this Ligand-Target Pair
TargetRNA-directed RNA polymerase(Hepatitis C virus)
NeoGenesis Pharmaceuticals Inc.

Curated by ChEMBL
LigandPNGBDBM50157195(2-{Cyclohexyl-[4-(3-fluoro-benzyloxy)-benzoyl]-ami...)
Show SMILES OC(=O)c1cnc(s1)N(C1CCCCC1)C(=O)c1ccc(OCc2cccc(F)c2)cc1
Show InChI InChI=1S/C24H23FN2O4S/c25-18-6-4-5-16(13-18)15-31-20-11-9-17(10-12-20)22(28)27(19-7-2-1-3-8-19)24-26-14-21(32-24)23(29)30/h4-6,9-14,19H,1-3,7-8,15H2,(H,29,30)
Affinity DataIC50: 6.50E+3nMAssay Description:Inhibitory concentration against RNA dependent RNA polymerase nonstructural protein 5B of hepatitis C virusMore data for this Ligand-Target Pair
TargetRNA-directed RNA polymerase(Hepatitis C virus)
NeoGenesis Pharmaceuticals Inc.

Curated by ChEMBL
LigandPNGBDBM50409953(CHEMBL2092825)
Show SMILES C[C@H]1CC[C@@H](CC1)N(C(=O)c1ccc(Oc2ccccc2)cc1)c1ncc(s1)C(O)=O
Show InChI InChI=1S/C24H24N2O4S/c1-16-7-11-18(12-8-16)26(24-25-15-21(31-24)23(28)29)22(27)17-9-13-20(14-10-17)30-19-5-3-2-4-6-19/h2-6,9-10,13-16,18H,7-8,11-12H2,1H3,(H,28,29)/t16-,18-
Affinity DataIC50: 6.60E+3nMAssay Description:Inhibitory concentration against RNA dependent RNA polymerase nonstructural protein 5B of hepatitis C virusMore data for this Ligand-Target Pair
TargetRNA-directed RNA polymerase(Hepatitis C virus)
NeoGenesis Pharmaceuticals Inc.

Curated by ChEMBL
LigandPNGBDBM50157176(2-[(R)-Cyclohexyl-(4-phenoxy-benzoyl)-amino]-thiaz...)
Show SMILES OC(=O)c1cnc(s1)N(C1CCCCC1)C(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C23H22N2O4S/c26-21(16-11-13-19(14-12-16)29-18-9-5-2-6-10-18)25(17-7-3-1-4-8-17)23-24-15-20(30-23)22(27)28/h2,5-6,9-15,17H,1,3-4,7-8H2,(H,27,28)
Affinity DataIC50: 7.00E+3nMAssay Description:Inhibitory concentration against RNA dependent RNA polymerase nonstructural protein 5B of hepatitis C virusMore data for this Ligand-Target Pair
TargetRNA-directed RNA polymerase(Hepatitis C virus)
NeoGenesis Pharmaceuticals Inc.

Curated by ChEMBL
LigandPNGBDBM50157172(2-{Cyclohexyl-[4-(thiophen-2-ylmethoxy)-benzoyl]-a...)
Show SMILES OC(=O)c1cnc(s1)N(C1CCCCC1)C(=O)c1ccc(OCc2cccs2)cc1
Show InChI InChI=1S/C22H22N2O4S2/c25-20(15-8-10-17(11-9-15)28-14-18-7-4-12-29-18)24(16-5-2-1-3-6-16)22-23-13-19(30-22)21(26)27/h4,7-13,16H,1-3,5-6,14H2,(H,26,27)
Affinity DataIC50: 7.00E+3nMAssay Description:Inhibitory concentration against RNA dependent RNA polymerase nonstructural protein 5B of hepatitis C virusMore data for this Ligand-Target Pair
TargetRNA-directed RNA polymerase(Hepatitis C virus)
NeoGenesis Pharmaceuticals Inc.

Curated by ChEMBL
LigandPNGBDBM50157171(2-[(R)-((R)-2-Methyl-cyclohexyl)-(4-phenoxy-benzoy...)
Show SMILES C[C@@H]1CCCCC1N(C(=O)c1ccc(Oc2ccccc2)cc1)c1nc(cs1)C(O)=O
Show InChI InChI=1S/C24H24N2O4S/c1-16-7-5-6-10-21(16)26(24-25-20(15-31-24)23(28)29)22(27)17-11-13-19(14-12-17)30-18-8-3-2-4-9-18/h2-4,8-9,11-16,21H,5-7,10H2,1H3,(H,28,29)/t16-,21?/m1/s1
Affinity DataIC50: 7.60E+3nMAssay Description:Inhibitory concentration against RNA dependent RNA polymerase nonstructural protein 5B of hepatitis C virusMore data for this Ligand-Target Pair
TargetRNA-directed RNA polymerase(Hepatitis C virus)
NeoGenesis Pharmaceuticals Inc.

Curated by ChEMBL
LigandPNGBDBM50157194(2-{Cyclohexyl-[4-(2-methoxy-benzyloxy)-benzoyl]-am...)
Show SMILES COc1ccccc1COc1ccc(cc1)C(=O)N(C1CCCCC1)c1ncc(s1)C(O)=O
Show InChI InChI=1S/C25H26N2O5S/c1-31-21-10-6-5-7-18(21)16-32-20-13-11-17(12-14-20)23(28)27(19-8-3-2-4-9-19)25-26-15-22(33-25)24(29)30/h5-7,10-15,19H,2-4,8-9,16H2,1H3,(H,29,30)
Affinity DataIC50: 8.50E+3nMAssay Description:Inhibitory concentration against RNA dependent RNA polymerase nonstructural protein 5B of hepatitis C virusMore data for this Ligand-Target Pair
TargetRNA-directed RNA polymerase(Hepatitis C virus)
NeoGenesis Pharmaceuticals Inc.

Curated by ChEMBL
LigandPNGBDBM50157174(2-{Cyclohexyl-[4-(2-methoxy-phenoxy)-benzoyl]-amin...)
Show SMILES COc1ccccc1Oc1ccc(cc1)C(=O)N(C1CCCCC1)c1ncc(s1)C(O)=O
Show InChI InChI=1S/C24H24N2O5S/c1-30-19-9-5-6-10-20(19)31-18-13-11-16(12-14-18)22(27)26(17-7-3-2-4-8-17)24-25-15-21(32-24)23(28)29/h5-6,9-15,17H,2-4,7-8H2,1H3,(H,28,29)
Affinity DataIC50: 8.50E+3nMAssay Description:Inhibitory concentration against RNA dependent RNA polymerase nonstructural protein 5B of hepatitis C virusMore data for this Ligand-Target Pair
TargetRNA-directed RNA polymerase(Hepatitis C virus)
NeoGenesis Pharmaceuticals Inc.

Curated by ChEMBL
LigandPNGBDBM50409955(CHEMBL2092823)
Show SMILES C[C@H]1CCCC[C@@H]1N(C(=O)c1ccc(Oc2ccccc2)cc1)c1ncc(s1)C(O)=O
Show InChI InChI=1S/C24H24N2O4S/c1-16-7-5-6-10-20(16)26(24-25-15-21(31-24)23(28)29)22(27)17-11-13-19(14-12-17)30-18-8-3-2-4-9-18/h2-4,8-9,11-16,20H,5-7,10H2,1H3,(H,28,29)/t16-,20-/m0/s1
Affinity DataIC50: 9.40E+3nMAssay Description:Inhibitory concentration against RNA dependent RNA polymerase nonstructural protein 5B of hepatitis C virusMore data for this Ligand-Target Pair
TargetRNA-directed RNA polymerase(Hepatitis C virus)
NeoGenesis Pharmaceuticals Inc.

Curated by ChEMBL
LigandPNGBDBM50157186(2-[(R)-Cyclohexyl-(4-phenoxy-benzoyl)-amino]-thiaz...)
Show SMILES OC(=O)c1csc(n1)N(C1CCCCC1)C(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C23H22N2O4S/c26-21(16-11-13-19(14-12-16)29-18-9-5-2-6-10-18)25(17-7-3-1-4-8-17)23-24-20(15-30-23)22(27)28/h2,5-6,9-15,17H,1,3-4,7-8H2,(H,27,28)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibitory concentration against RNA dependent RNA polymerase nonstructural protein 5B of hepatitis C virusMore data for this Ligand-Target Pair
TargetRNA-directed RNA polymerase(Hepatitis C virus)
NeoGenesis Pharmaceuticals Inc.

Curated by ChEMBL
LigandPNGBDBM50157171(2-[(R)-((R)-2-Methyl-cyclohexyl)-(4-phenoxy-benzoy...)
Show SMILES C[C@@H]1CCCCC1N(C(=O)c1ccc(Oc2ccccc2)cc1)c1nc(cs1)C(O)=O
Show InChI InChI=1S/C24H24N2O4S/c1-16-7-5-6-10-21(16)26(24-25-20(15-31-24)23(28)29)22(27)17-11-13-19(14-12-17)30-18-8-3-2-4-9-18/h2-4,8-9,11-16,21H,5-7,10H2,1H3,(H,28,29)/t16-,21?/m1/s1
Affinity DataIC50: 1.10E+4nMAssay Description:Inhibitory concentration against RNA dependent RNA polymerase nonstructural protein 5B of hepatitis C virusMore data for this Ligand-Target Pair
TargetRNA-directed RNA polymerase(Hepatitis C virus)
NeoGenesis Pharmaceuticals Inc.

Curated by ChEMBL
LigandPNGBDBM50157173(2-[(R)-(4-Phenoxy-benzoyl)-(tetrahydro-thiopyran-4...)
Show SMILES OC(=O)c1cnc(s1)N(C1CCSCC1)C(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C22H20N2O4S2/c25-20(15-6-8-18(9-7-15)28-17-4-2-1-3-5-17)24(16-10-12-29-13-11-16)22-23-14-19(30-22)21(26)27/h1-9,14,16H,10-13H2,(H,26,27)
Affinity DataIC50: 1.30E+4nMAssay Description:Inhibitory concentration against RNA dependent RNA polymerase nonstructural protein 5B of hepatitis C virusMore data for this Ligand-Target Pair
TargetRNA-directed RNA polymerase(Hepatitis C virus)
NeoGenesis Pharmaceuticals Inc.

Curated by ChEMBL
LigandPNGBDBM50157196(2-{Cyclohexyl-[4-(pyridin-2-ylmethoxy)-benzoyl]-am...)
Show SMILES OC(=O)c1cnc(s1)N(C1CCCCC1)C(=O)c1ccc(OCc2ccccn2)cc1
Show InChI InChI=1S/C23H23N3O4S/c27-21(16-9-11-19(12-10-16)30-15-17-6-4-5-13-24-17)26(18-7-2-1-3-8-18)23-25-14-20(31-23)22(28)29/h4-6,9-14,18H,1-3,7-8,15H2,(H,28,29)
Affinity DataIC50: 1.50E+4nMAssay Description:Inhibitory concentration against RNA dependent RNA polymerase nonstructural protein 5B of hepatitis C virusMore data for this Ligand-Target Pair
TargetCytochrome P450 2D6(Homo sapiens (Human))
NeoGenesis Pharmaceuticals Inc.

Curated by ChEMBL
LigandPNGBDBM50157198(2-{Cyclohexyl-[4-(3-trifluoromethyl-benzyloxy)-ben...)
Show SMILES OC(=O)c1cnc(s1)N(C1CCCCC1)C(=O)c1ccc(OCc2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C25H23F3N2O4S/c26-25(27,28)18-6-4-5-16(13-18)15-34-20-11-9-17(10-12-20)22(31)30(19-7-2-1-3-8-19)24-29-14-21(35-24)23(32)33/h4-6,9-14,19H,1-3,7-8,15H2,(H,32,33)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibitory concentration against Cytochrome P450 2D6More data for this Ligand-Target Pair
TargetCytochrome P450 3A4(Homo sapiens (Human))
NeoGenesis Pharmaceuticals Inc.

Curated by ChEMBL
LigandPNGBDBM50157198(2-{Cyclohexyl-[4-(3-trifluoromethyl-benzyloxy)-ben...)
Show SMILES OC(=O)c1cnc(s1)N(C1CCCCC1)C(=O)c1ccc(OCc2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C25H23F3N2O4S/c26-25(27,28)18-6-4-5-16(13-18)15-34-20-11-9-17(10-12-20)22(31)30(19-7-2-1-3-8-19)24-29-14-21(35-24)23(32)33/h4-6,9-14,19H,1-3,7-8,15H2,(H,32,33)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibitory concentration against Cytochrome P450 3A4More data for this Ligand-Target Pair
TargetRNA-directed RNA polymerase(Hepatitis C virus)
NeoGenesis Pharmaceuticals Inc.

Curated by ChEMBL
LigandPNGBDBM50157200(2-[(R)-Isopropyl-(4-phenoxy-benzoyl)-amino]-thiazo...)
Show SMILES CC(C)N(C(=O)c1ccc(Oc2ccccc2)cc1)c1nc(cs1)C(O)=O
Show InChI InChI=1S/C20H18N2O4S/c1-13(2)22(20-21-17(12-27-20)19(24)25)18(23)14-8-10-16(11-9-14)26-15-6-4-3-5-7-15/h3-13H,1-2H3,(H,24,25)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibitory concentration against RNA dependent RNA polymerase nonstructural protein 5B of hepatitis C virusMore data for this Ligand-Target Pair
TargetRNA-directed RNA polymerase(Hepatitis C virus)
NeoGenesis Pharmaceuticals Inc.

Curated by ChEMBL
LigandPNGBDBM50157197(2-(4-Phenoxy-benzoylamino)-thiazole-5-carboxylic a...)
Show SMILES OC(=O)c1cnc(NC(=O)c2ccc(Oc3ccccc3)cc2)s1
Show InChI InChI=1S/C17H12N2O4S/c20-15(19-17-18-10-14(24-17)16(21)22)11-6-8-13(9-7-11)23-12-4-2-1-3-5-12/h1-10H,(H,21,22)(H,18,19,20)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibitory concentration against RNA dependent RNA polymerase nonstructural protein 5B of hepatitis C virusMore data for this Ligand-Target Pair
TargetRNA-directed RNA polymerase(Hepatitis C virus)
NeoGenesis Pharmaceuticals Inc.

Curated by ChEMBL
LigandPNGBDBM50157183(2-[(R)-Isopropyl-(4-phenoxy-benzoyl)-amino]-thiazo...)
Show SMILES CC(C)N(C(=O)c1ccc(Oc2ccccc2)cc1)c1ncc(s1)C(O)=O
Show InChI InChI=1S/C20H18N2O4S/c1-13(2)22(20-21-12-17(27-20)19(24)25)18(23)14-8-10-16(11-9-14)26-15-6-4-3-5-7-15/h3-13H,1-2H3,(H,24,25)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibitory concentration against RNA dependent RNA polymerase nonstructural protein 5B of hepatitis C virusMore data for this Ligand-Target Pair
TargetRNA-directed RNA polymerase(Hepatitis C virus)
NeoGenesis Pharmaceuticals Inc.

Curated by ChEMBL
LigandPNGBDBM50157187(2-(4-Phenoxy-benzoylamino)-thiazole-4-carboxylic a...)
Show SMILES OC(=O)c1csc(NC(=O)c2ccc(Oc3ccccc3)cc2)n1
Show InChI InChI=1S/C17H12N2O4S/c20-15(19-17-18-14(10-24-17)16(21)22)11-6-8-13(9-7-11)23-12-4-2-1-3-5-12/h1-10H,(H,21,22)(H,18,19,20)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibitory concentration against RNA dependent RNA polymerase nonstructural protein 5B of hepatitis C virusMore data for this Ligand-Target Pair
TargetRNA-directed RNA polymerase(Hepatitis C virus)
NeoGenesis Pharmaceuticals Inc.

Curated by ChEMBL
LigandPNGBDBM50157189(2-[(R)-(1,1-Dioxo-hexahydro-1lambda*6*-thiopyran-4...)
Show SMILES OC(=O)c1cnc(s1)N(C1CCS(=O)(=O)CC1)C(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C22H20N2O6S2/c25-20(15-6-8-18(9-7-15)30-17-4-2-1-3-5-17)24(16-10-12-32(28,29)13-11-16)22-23-14-19(31-22)21(26)27/h1-9,14,16H,10-13H2,(H,26,27)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibitory concentration against RNA dependent RNA polymerase nonstructural protein 5B of hepatitis C virusMore data for this Ligand-Target Pair