Compile Data Set for Download or QSAR
Found 41 Enz. Inhib. hit(s) with all data for entry = 3077
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
Fujisawa Pharmaceutical Co., Ltd

LigandPNGBDBM27707(4-{1-[3-(8-chloro-4-oxo-3,4-dihydroquinazolin-2-yl...)
Show SMILES Clc1cccc2c1nc(CCCN1CCC(=CC1)c1ccc(cc1)C#N)[nH]c2=O
Show InChI InChI=1S/C23H21ClN4O/c24-20-4-1-3-19-22(20)26-21(27-23(19)29)5-2-12-28-13-10-18(11-14-28)17-8-6-16(15-25)7-9-17/h1,3-4,6-10H,2,5,11-14H2,(H,26,27,29)
Affinity DataIC50: 3nMpH: 8.0 T: 2°CAssay Description:To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 2(Mus musculus (Mouse))
Fujisawa Pharmaceutical Co., Ltd

LigandPNGBDBM27720(3-(4-chlorophenyl)quinoxaline-5-carboxamide | quin...)
Show SMILES NC(=O)c1cccc2ncc(nc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H10ClN3O/c16-10-6-4-9(5-7-10)13-8-18-12-3-1-2-11(15(17)20)14(12)19-13/h1-8H,(H2,17,20)
Affinity DataIC50: 7nMT: 2°CAssay Description:To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 2(Mus musculus (Mouse))
Fujisawa Pharmaceutical Co., Ltd

LigandPNGBDBM27723(3-(4-methoxyphenyl)quinoxaline-5-carboxamide | CHE...)
Show SMILES COc1ccc(cc1)-c1cnc2cccc(C(N)=O)c2n1
Show InChI InChI=1S/C16H13N3O2/c1-21-11-7-5-10(6-8-11)14-9-18-13-4-2-3-12(16(17)20)15(13)19-14/h2-9H,1H3,(H2,17,20)
Affinity DataIC50: 8nMT: 2°CAssay Description:To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 2(Mus musculus (Mouse))
Fujisawa Pharmaceutical Co., Ltd

LigandPNGBDBM27721(3-(4-cyanophenyl)quinoxaline-5-carboxamide | CHEMB...)
Show SMILES NC(=O)c1cccc2ncc(nc12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C16H10N4O/c17-8-10-4-6-11(7-5-10)14-9-19-13-3-1-2-12(16(18)21)15(13)20-14/h1-7,9H,(H2,18,21)
Affinity DataIC50: 8nMT: 2°CAssay Description:To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 2(Mus musculus (Mouse))
Fujisawa Pharmaceutical Co., Ltd

LigandPNGBDBM27724(3-(4-aminophenyl)quinoxaline-5-carboxamide | CHEMB...)
Show SMILES NC(=O)c1cccc2ncc(nc12)-c1ccc(N)cc1
Show InChI InChI=1S/C15H12N4O/c16-10-6-4-9(5-7-10)13-8-18-12-3-1-2-11(15(17)20)14(12)19-13/h1-8H,16H2,(H2,17,20)
Affinity DataIC50: 9nMT: 2°CAssay Description:To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
Fujisawa Pharmaceutical Co., Ltd

LigandPNGBDBM27711(2-{3-[4-(4-chlorophenyl)piperazin-1-yl]propyl}-3,4...)
Show SMILES Clc1ccc(cc1)N1CCN(CCCc2nc3ccccc3c(=O)[nH]2)CC1
Show InChI InChI=1S/C21H23ClN4O/c22-16-7-9-17(10-8-16)26-14-12-25(13-15-26)11-3-6-20-23-19-5-2-1-4-18(19)21(27)24-20/h1-2,4-5,7-10H,3,6,11-15H2,(H,23,24,27)
Affinity DataIC50: 11nMpH: 8.0 T: 2°CAssay Description:To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 2(Mus musculus (Mouse))
Fujisawa Pharmaceutical Co., Ltd

LigandPNGBDBM27722(3-[4-(trifluoromethyl)phenyl]quinoxaline-5-carboxa...)
Show SMILES NC(=O)c1cccc2ncc(nc12)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C16H10F3N3O/c17-16(18,19)10-6-4-9(5-7-10)13-8-21-12-3-1-2-11(15(20)23)14(12)22-13/h1-8H,(H2,20,23)
Affinity DataIC50: 11nMT: 2°CAssay Description:To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
Fujisawa Pharmaceutical Co., Ltd

LigandPNGBDBM27708(8-chloro-2-{3-[4-(4-fluorophenyl)-1,2,3,6-tetrahyd...)
Show SMILES Fc1ccc(cc1)C1=CCN(CCCc2nc3c(Cl)cccc3c(=O)[nH]2)CC1
Show InChI InChI=1S/C22H21ClFN3O/c23-19-4-1-3-18-21(19)25-20(26-22(18)28)5-2-12-27-13-10-16(11-14-27)15-6-8-17(24)9-7-15/h1,3-4,6-10H,2,5,11-14H2,(H,25,26,28)
Affinity DataIC50: 13nMpH: 8.0 T: 2°CAssay Description:To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 2(Mus musculus (Mouse))
Fujisawa Pharmaceutical Co., Ltd

LigandPNGBDBM27719(3-phenylquinoxaline-5-carboxamide | quinoxaline an...)
Show SMILES NC(=O)c1cccc2ncc(nc12)-c1ccccc1
Show InChI InChI=1S/C15H11N3O/c16-15(19)11-7-4-8-12-14(11)18-13(9-17-12)10-5-2-1-3-6-10/h1-9H,(H2,16,19)
Affinity DataIC50: 14nMT: 2°CAssay Description:To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
Fujisawa Pharmaceutical Co., Ltd

LigandPNGBDBM27709(2-{3-[4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin...)
Show SMILES Cc1cccc2c1nc(CCCN1CCC(=CC1)c1ccc(F)cc1)[nH]c2=O
Show InChI InChI=1S/C23H24FN3O/c1-16-4-2-5-20-22(16)25-21(26-23(20)28)6-3-13-27-14-11-18(12-15-27)17-7-9-19(24)10-8-17/h2,4-5,7-11H,3,6,12-15H2,1H3,(H,25,26,28)
Affinity DataIC50: 16nMpH: 8.0 T: 2°CAssay Description:To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
Fujisawa Pharmaceutical Co., Ltd

LigandPNGBDBM27705(2-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-1-yl)prop...)
Show SMILES O=c1[nH]c(CCCN2CCC(=CC2)c2ccccc2)nc2ccccc12
Show InChI InChI=1S/C22H23N3O/c26-22-19-9-4-5-10-20(19)23-21(24-22)11-6-14-25-15-12-18(13-16-25)17-7-2-1-3-8-17/h1-5,7-10,12H,6,11,13-16H2,(H,23,24,26)
Affinity DataIC50: 21nMpH: 8.0 T: 2°CAssay Description:To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
Fujisawa Pharmaceutical Co., Ltd

LigandPNGBDBM27706(8-chloro-2-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-...)
Show SMILES Clc1cccc2c1nc(CCCN1CCC(=CC1)c1ccccc1)[nH]c2=O
Show InChI InChI=1S/C22H22ClN3O/c23-19-9-4-8-18-21(19)24-20(25-22(18)27)10-5-13-26-14-11-17(12-15-26)16-6-2-1-3-7-16/h1-4,6-9,11H,5,10,12-15H2,(H,24,25,27)
Affinity DataIC50: 23nMpH: 8.0 T: 2°CAssay Description:To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
Fujisawa Pharmaceutical Co., Ltd

LigandPNGBDBM27720(3-(4-chlorophenyl)quinoxaline-5-carboxamide | quin...)
Show SMILES NC(=O)c1cccc2ncc(nc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H10ClN3O/c16-10-6-4-9(5-7-10)13-8-18-12-3-1-2-11(15(17)20)14(12)19-13/h1-8H,(H2,17,20)
Affinity DataIC50: 33nMpH: 8.0 T: 2°CAssay Description:To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
Fujisawa Pharmaceutical Co., Ltd

LigandPNGBDBM27717(4-{4-[4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin...)
Show SMILES Fc1ccc(cc1)C1=CCN(CCCCc2n[nH]c(=O)c3ccccc23)CC1
Show InChI InChI=1S/C23H24FN3O/c24-19-10-8-17(9-11-19)18-12-15-27(16-13-18)14-4-3-7-22-20-5-1-2-6-21(20)23(28)26-25-22/h1-2,5-6,8-12H,3-4,7,13-16H2,(H,26,28)
Affinity DataIC50: 49nMpH: 8.0 T: 2°CAssay Description:To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
Fujisawa Pharmaceutical Co., Ltd

LigandPNGBDBM27714(5-fluoro-1-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-...)
Show SMILES Fc1cccc2n(CCCCN3CCC(=CC3)c3ccccc3)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C23H24FN3O2/c24-19-9-6-10-20-21(19)22(28)25-23(29)27(20)14-5-4-13-26-15-11-18(12-16-26)17-7-2-1-3-8-17/h1-3,6-11H,4-5,12-16H2,(H,25,28,29)
Affinity DataIC50: 60nMpH: 8.0 T: 2°CAssay Description:To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
Fujisawa Pharmaceutical Co., Ltd

LigandPNGBDBM27710(5-Chloro-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-y...)
Show SMILES Clc1cccc2nc(CCCN3CCC(=CC3)c3ccccc3)[nH]c(=O)c12
Show InChI InChI=1S/C22H22ClN3O/c23-18-8-4-9-19-21(18)22(27)25-20(24-19)10-5-13-26-14-11-17(12-15-26)16-6-2-1-3-7-16/h1-4,6-9,11H,5,10,12-15H2,(H,24,25,27)
Affinity DataIC50: 68nMpH: 8.0 T: 2°CAssay Description:To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 2(Mus musculus (Mouse))
Fujisawa Pharmaceutical Co., Ltd

LigandPNGBDBM27713(1-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-1-yl)buty...)
Show SMILES O=c1[nH]c(=O)c2ccccc2n1CCCCN1CCC(=CC1)c1ccccc1
Show InChI InChI=1S/C23H25N3O2/c27-22-20-10-4-5-11-21(20)26(23(28)24-22)15-7-6-14-25-16-12-19(13-17-25)18-8-2-1-3-9-18/h1-5,8-12H,6-7,13-17H2,(H,24,27,28)
Affinity DataIC50: 70nMT: 2°CAssay Description:To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
Fujisawa Pharmaceutical Co., Ltd

LigandPNGBDBM27723(3-(4-methoxyphenyl)quinoxaline-5-carboxamide | CHE...)
Show SMILES COc1ccc(cc1)-c1cnc2cccc(C(N)=O)c2n1
Show InChI InChI=1S/C16H13N3O2/c1-21-11-7-5-10(6-8-11)14-9-18-13-4-2-3-12(16(17)20)15(13)19-14/h2-9H,1H3,(H2,17,20)
Affinity DataIC50: 71nMpH: 8.0 T: 2°CAssay Description:To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
Fujisawa Pharmaceutical Co., Ltd

LigandPNGBDBM27718(2-(3-(4-phenyl-5,6-dihydropyridin-1(2H)-yl)propyl)...)
Show SMILES O=c1[nH]c2ccc(CCCN3CCC(=CC3)c3ccccc3)cc2c2ccccc12
Show InChI InChI=1S/C27H26N2O/c30-27-24-11-5-4-10-23(24)25-19-20(12-13-26(25)28-27)7-6-16-29-17-14-22(15-18-29)21-8-2-1-3-9-21/h1-5,8-14,19H,6-7,15-18H2,(H,28,30)
Affinity DataIC50: 82nMpH: 8.0 T: 2°CAssay Description:To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 2(Mus musculus (Mouse))
Fujisawa Pharmaceutical Co., Ltd

LigandPNGBDBM27714(5-fluoro-1-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-...)
Show SMILES Fc1cccc2n(CCCCN3CCC(=CC3)c3ccccc3)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C23H24FN3O2/c24-19-9-6-10-20-21(19)22(28)25-23(29)27(20)14-5-4-13-26-15-11-18(12-16-26)17-7-2-1-3-8-17/h1-3,6-11H,4-5,12-16H2,(H,25,28,29)
Affinity DataIC50: 83nMT: 2°CAssay Description:To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 2(Mus musculus (Mouse))
Fujisawa Pharmaceutical Co., Ltd

LigandPNGBDBM27718(2-(3-(4-phenyl-5,6-dihydropyridin-1(2H)-yl)propyl)...)
Show SMILES O=c1[nH]c2ccc(CCCN3CCC(=CC3)c3ccccc3)cc2c2ccccc12
Show InChI InChI=1S/C27H26N2O/c30-27-24-11-5-4-10-23(24)25-19-20(12-13-26(25)28-27)7-6-16-29-17-14-22(15-18-29)21-8-2-1-3-9-21/h1-5,8-14,19H,6-7,15-18H2,(H,28,30)
Affinity DataIC50: 84nMT: 2°CAssay Description:To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 2(Mus musculus (Mouse))
Fujisawa Pharmaceutical Co., Ltd

LigandPNGBDBM27717(4-{4-[4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin...)
Show SMILES Fc1ccc(cc1)C1=CCN(CCCCc2n[nH]c(=O)c3ccccc23)CC1
Show InChI InChI=1S/C23H24FN3O/c24-19-10-8-17(9-11-19)18-12-15-27(16-13-18)14-4-3-7-22-20-5-1-2-6-21(20)23(28)26-25-22/h1-2,5-6,8-12H,3-4,7,13-16H2,(H,26,28)
Affinity DataIC50: 84nMT: 2°CAssay Description:To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
Fujisawa Pharmaceutical Co., Ltd

LigandPNGBDBM27724(3-(4-aminophenyl)quinoxaline-5-carboxamide | CHEMB...)
Show SMILES NC(=O)c1cccc2ncc(nc12)-c1ccc(N)cc1
Show InChI InChI=1S/C15H12N4O/c16-10-6-4-9(5-7-10)13-8-18-12-3-1-2-11(15(17)20)14(12)19-13/h1-8H,16H2,(H2,17,20)
Affinity DataIC50: 87nMpH: 8.0 T: 2°CAssay Description:To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 2(Mus musculus (Mouse))
Fujisawa Pharmaceutical Co., Ltd

LigandPNGBDBM27707(4-{1-[3-(8-chloro-4-oxo-3,4-dihydroquinazolin-2-yl...)
Show SMILES Clc1cccc2c1nc(CCCN1CCC(=CC1)c1ccc(cc1)C#N)[nH]c2=O
Show InChI InChI=1S/C23H21ClN4O/c24-20-4-1-3-19-22(20)26-21(27-23(19)29)5-2-12-28-13-10-18(11-14-28)17-8-6-16(15-25)7-9-17/h1,3-4,6-10H,2,5,11-14H2,(H,26,27,29)
Affinity DataIC50: 87nMT: 2°CAssay Description:To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 2(Mus musculus (Mouse))
Fujisawa Pharmaceutical Co., Ltd

LigandPNGBDBM27716(4-(4-(4-phenyl-5,6-dihydropyridin-1(2H)-yl)butyl)p...)
Show SMILES O=c1[nH]nc(CCCCN2CCC(=CC2)c2ccccc2)c2ccccc12
Show InChI InChI=1S/C23H25N3O/c27-23-21-11-5-4-10-20(21)22(24-25-23)12-6-7-15-26-16-13-19(14-17-26)18-8-2-1-3-9-18/h1-5,8-11,13H,6-7,12,14-17H2,(H,25,27)
Affinity DataIC50: 90nMT: 2°CAssay Description:To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
Fujisawa Pharmaceutical Co., Ltd

LigandPNGBDBM27721(3-(4-cyanophenyl)quinoxaline-5-carboxamide | CHEMB...)
Show SMILES NC(=O)c1cccc2ncc(nc12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C16H10N4O/c17-8-10-4-6-11(7-5-10)14-9-19-13-3-1-2-12(16(18)21)15(13)20-14/h1-7,9H,(H2,18,21)
Affinity DataIC50: 101nMpH: 8.0 T: 2°CAssay Description:To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
Fujisawa Pharmaceutical Co., Ltd

LigandPNGBDBM27722(3-[4-(trifluoromethyl)phenyl]quinoxaline-5-carboxa...)
Show SMILES NC(=O)c1cccc2ncc(nc12)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C16H10F3N3O/c17-16(18,19)10-6-4-9(5-7-10)13-8-21-12-3-1-2-11(15(20)23)14(12)22-13/h1-8H,(H2,20,23)
Affinity DataIC50: 118nMpH: 8.0 T: 2°CAssay Description:To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
Fujisawa Pharmaceutical Co., Ltd

LigandPNGBDBM27716(4-(4-(4-phenyl-5,6-dihydropyridin-1(2H)-yl)butyl)p...)
Show SMILES O=c1[nH]nc(CCCCN2CCC(=CC2)c2ccccc2)c2ccccc12
Show InChI InChI=1S/C23H25N3O/c27-23-21-11-5-4-10-20(21)22(24-25-23)12-6-7-15-26-16-13-19(14-17-26)18-8-2-1-3-9-18/h1-5,8-11,13H,6-7,12,14-17H2,(H,25,27)
Affinity DataIC50: 120nMpH: 8.0 T: 2°CAssay Description:To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
Fujisawa Pharmaceutical Co., Ltd

LigandPNGBDBM27713(1-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-1-yl)buty...)
Show SMILES O=c1[nH]c(=O)c2ccccc2n1CCCCN1CCC(=CC1)c1ccccc1
Show InChI InChI=1S/C23H25N3O2/c27-22-20-10-4-5-11-21(20)26(23(28)24-22)15-7-6-14-25-16-12-19(13-17-25)18-8-2-1-3-9-18/h1-5,8-12H,6-7,13-17H2,(H,24,27,28)
Affinity DataIC50: 120nMpH: 8.0 T: 2°CAssay Description:To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
Fujisawa Pharmaceutical Co., Ltd

LigandPNGBDBM27719(3-phenylquinoxaline-5-carboxamide | quinoxaline an...)
Show SMILES NC(=O)c1cccc2ncc(nc12)-c1ccccc1
Show InChI InChI=1S/C15H11N3O/c16-15(19)11-7-4-8-12-14(11)18-13(9-17-12)10-5-2-1-3-6-10/h1-9H,(H2,16,19)
Affinity DataIC50: 131nMpH: 8.0 T: 2°CAssay Description:To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 2(Mus musculus (Mouse))
Fujisawa Pharmaceutical Co., Ltd

LigandPNGBDBM27709(2-{3-[4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin...)
Show SMILES Cc1cccc2c1nc(CCCN1CCC(=CC1)c1ccc(F)cc1)[nH]c2=O
Show InChI InChI=1S/C23H24FN3O/c1-16-4-2-5-20-22(16)25-21(26-23(20)28)6-3-13-27-14-11-18(12-15-27)17-7-9-19(24)10-8-17/h2,4-5,7-11H,3,6,12-15H2,1H3,(H,25,26,28)
Affinity DataIC50: 167nMT: 2°CAssay Description:To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 2(Mus musculus (Mouse))
Fujisawa Pharmaceutical Co., Ltd

LigandPNGBDBM27711(2-{3-[4-(4-chlorophenyl)piperazin-1-yl]propyl}-3,4...)
Show SMILES Clc1ccc(cc1)N1CCN(CCCc2nc3ccccc3c(=O)[nH]2)CC1
Show InChI InChI=1S/C21H23ClN4O/c22-16-7-9-17(10-8-16)26-14-12-25(13-15-26)11-3-6-20-23-19-5-2-1-4-18(19)21(27)24-20/h1-2,4-5,7-10H,3,6,11-15H2,(H,23,24,27)
Affinity DataIC50: 300nMT: 2°CAssay Description:To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 2(Mus musculus (Mouse))
Fujisawa Pharmaceutical Co., Ltd

LigandPNGBDBM27708(8-chloro-2-{3-[4-(4-fluorophenyl)-1,2,3,6-tetrahyd...)
Show SMILES Fc1ccc(cc1)C1=CCN(CCCc2nc3c(Cl)cccc3c(=O)[nH]2)CC1
Show InChI InChI=1S/C22H21ClFN3O/c23-19-4-1-3-18-21(19)25-20(26-22(18)28)5-2-12-27-13-10-16(11-14-27)15-6-8-17(24)9-7-15/h1,3-4,6-10H,2,5,11-14H2,(H,25,26,28)
Affinity DataIC50: 500nMT: 2°CAssay Description:To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 2(Mus musculus (Mouse))
Fujisawa Pharmaceutical Co., Ltd

LigandPNGBDBM27705(2-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-1-yl)prop...)
Show SMILES O=c1[nH]c(CCCN2CCC(=CC2)c2ccccc2)nc2ccccc12
Show InChI InChI=1S/C22H23N3O/c26-22-19-9-4-5-10-20(19)23-21(24-22)11-6-14-25-15-12-18(13-16-25)17-7-2-1-3-8-17/h1-5,7-10,12H,6,11,13-16H2,(H,23,24,26)
Affinity DataIC50: 608nMT: 2°CAssay Description:To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 2(Mus musculus (Mouse))
Fujisawa Pharmaceutical Co., Ltd

LigandPNGBDBM27706(8-chloro-2-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-...)
Show SMILES Clc1cccc2c1nc(CCCN1CCC(=CC1)c1ccccc1)[nH]c2=O
Show InChI InChI=1S/C22H22ClN3O/c23-19-9-4-8-18-21(19)24-20(25-22(18)27)10-5-13-26-14-11-17(12-15-26)16-6-2-1-3-7-16/h1-4,6-9,11H,5,10,12-15H2,(H,24,25,27)
Affinity DataIC50: 610nMT: 2°CAssay Description:To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 2(Mus musculus (Mouse))
Fujisawa Pharmaceutical Co., Ltd

LigandPNGBDBM27710(5-Chloro-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-y...)
Show SMILES Clc1cccc2nc(CCCN3CCC(=CC3)c3ccccc3)[nH]c(=O)c12
Show InChI InChI=1S/C22H22ClN3O/c23-18-8-4-9-19-21(18)22(27)25-20(24-19)10-5-13-26-14-11-17(12-15-26)16-6-2-1-3-7-16/h1-4,6-9,11H,5,10,12-15H2,(H,24,25,27)
Affinity DataIC50: 630nMT: 2°CAssay Description:To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 2(Mus musculus (Mouse))
Fujisawa Pharmaceutical Co., Ltd

LigandPNGBDBM27712(5-chloro-2-methyl-3,4-dihydroquinazolin-4-one | CH...)
Show SMILES Cc1nc2cccc(Cl)c2c(=O)[nH]1
Show InChI InChI=1S/C9H7ClN2O/c1-5-11-7-4-2-3-6(10)8(7)9(13)12-5/h2-4H,1H3,(H,11,12,13)
Affinity DataIC50: 660nMT: 2°CAssay Description:To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
Fujisawa Pharmaceutical Co., Ltd

LigandPNGBDBM27715(5-fluoro-1-[4-(4-phenylcyclohex-3-en-1-yl)butyl]-1...)
Show SMILES Fc1cccc2n(CCCCC3CCC(=CC3)c3ccccc3)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C24H25FN2O2/c25-20-10-6-11-21-22(20)23(28)26-24(29)27(21)16-5-4-7-17-12-14-19(15-13-17)18-8-2-1-3-9-18/h1-3,6,8-11,14,17H,4-5,7,12-13,15-16H2,(H,26,28,29)
Affinity DataIC50: 1.00E+3nMpH: 8.0 T: 2°CAssay Description:To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
Fujisawa Pharmaceutical Co., Ltd

LigandPNGBDBM27712(5-chloro-2-methyl-3,4-dihydroquinazolin-4-one | CH...)
Show SMILES Cc1nc2cccc(Cl)c2c(=O)[nH]1
Show InChI InChI=1S/C9H7ClN2O/c1-5-11-7-4-2-3-6(10)8(7)9(13)12-5/h2-4H,1H3,(H,11,12,13)
Affinity DataIC50: 1.20E+3nMpH: 8.0 T: 2°CAssay Description:To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 2(Mus musculus (Mouse))
Fujisawa Pharmaceutical Co., Ltd

LigandPNGBDBM27506(3-AB | 3-aminobenzamide | CHEMBL81977)
Show SMILES NC(=O)c1cccc(N)c1
Show InChI InChI=1S/C7H8N2O/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H2,9,10)
Affinity DataIC50: 9.81E+3nMT: 2°CAssay Description:To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
Fujisawa Pharmaceutical Co., Ltd

LigandPNGBDBM27506(3-AB | 3-aminobenzamide | CHEMBL81977)
Show SMILES NC(=O)c1cccc(N)c1
Show InChI InChI=1S/C7H8N2O/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H2,9,10)
Affinity DataIC50: 1.12E+4nMpH: 8.0 T: 2°CAssay Description:To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...More data for this Ligand-Target Pair