Compile Data Set for Download or QSAR

Found 125 hits with Last Name = 'iwashita' and Initial = 'a'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27707 (4-{1-[3-(8-chloro-4-oxo-3,4-dihydroquinazolin-2-yl...) Show SMILES Clc1cccc2c1nc(CCCN1CCC(=CC1)c1ccc(cc1)C#N)[nH]c2=O |c:16| 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)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	8.0	23
Fujisawa Pharmaceutical Co. Ltd					Assay Description To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...				Bioorg Med Chem 14: 1378-90 (2006) Article DOI: 10.1016/j.bmc.2005.09.061 BindingDB Entry DOI: 10.7270/Q2610XPZ
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50151035 (4-{1-[3-(4-Oxo-3,4-dihydro-quinazolin-2-yl)-propyl...) Show SMILES O=c1[nH]c(CCCN2CCC(=CC2)c2ccc(cc2)C#N)nc2ccccc12 |c:10| Show InChI InChI=1S/C23H22N4O/c24-16-17-7-9-18(10-8-17)19-11-14-27(15-12-19)13-3-6-22-25-21-5-2-1-4-20(21)23(28)26-22/h1-2,4-5,7-11H,3,6,12-15H2,(H,25,26,28)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human recombinant Poly (ADP-ribose) polymerase 1				J Med Chem 47: 4151-4 (2004) Article DOI: 10.1021/jm0499256 BindingDB Entry DOI: 10.7270/Q21G0KQ6
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Mus musculus (Mouse))	BDBM27720 (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)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	25
Fujisawa Pharmaceutical Co. Ltd					Assay Description To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...				Bioorg Med Chem 14: 1378-90 (2006) Article DOI: 10.1016/j.bmc.2005.09.061 BindingDB Entry DOI: 10.7270/Q2610XPZ
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Mus musculus (Mouse))	BDBM27721 (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)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	25
Fujisawa Pharmaceutical Co. Ltd					Assay Description To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...				Bioorg Med Chem 14: 1378-90 (2006) Article DOI: 10.1016/j.bmc.2005.09.061 BindingDB Entry DOI: 10.7270/Q2610XPZ
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27709 (2-{3-[4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin...) Show SMILES Cc1cccc2c1nc(CCCN1CCC(=CC1)c1ccc(F)cc1)[nH]c2=O |c:16| 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)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of human PARP1				Bioorg Med Chem Lett 17: 5577-81 (2007) Article DOI: 10.1016/j.bmcl.2007.07.091 BindingDB Entry DOI: 10.7270/Q2Q23ZZ3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 2 (Mus musculus (Mouse))	BDBM27723 (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)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	25
Fujisawa Pharmaceutical Co. Ltd					Assay Description To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...				Bioorg Med Chem 14: 1378-90 (2006) Article DOI: 10.1016/j.bmc.2005.09.061 BindingDB Entry DOI: 10.7270/Q2610XPZ
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50151016 (2-{3-[4-(4-Methoxy-phenyl)-3,6-dihydro-2H-pyridin-...) Show SMILES COc1ccc(cc1)C1=CCN(CCCc2nc3ccccc3c(=O)[nH]2)CC1 |t:9| Show InChI InChI=1S/C23H25N3O2/c1-28-19-10-8-17(9-11-19)18-12-15-26(16-13-18)14-4-7-22-24-21-6-3-2-5-20(21)23(27)25-22/h2-3,5-6,8-12H,4,7,13-16H2,1H3,(H,24,25,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.30	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human recombinant Poly (ADP-ribose) polymerase 1				J Med Chem 47: 4151-4 (2004) Article DOI: 10.1021/jm0499256 BindingDB Entry DOI: 10.7270/Q21G0KQ6
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50220858 ((S)-8-chloro-2-(3-(4-phenylpiperidin-1-yl)cyclopen...) Show SMILES Clc1cccc2c1nc([nH]c2=O)C1=C[C@H](CC1)N1CCC(CC1)c1ccccc1 |t:14| Show InChI InChI=1S/C24H24ClN3O/c25-21-8-4-7-20-22(21)26-23(27-24(20)29)18-9-10-19(15-18)28-13-11-17(12-14-28)16-5-2-1-3-6-16/h1-8,15,17,19H,9-14H2,(H,26,27,29)/t19-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.70	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of human PARP1				Bioorg Med Chem Lett 17: 5577-81 (2007) Article DOI: 10.1016/j.bmcl.2007.07.091 BindingDB Entry DOI: 10.7270/Q2Q23ZZ3
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50220864 (2-(3-(4-(4-fluorophenyl)-5,6-dihydropyridin-1(2H)-...) Show SMILES Fc1ccc(cc1)C1=CCN(CCCc2nc3ccccc3c(=O)[nH]2)CC1 |t:8| Show InChI InChI=1S/C22H22FN3O/c23-18-9-7-16(8-10-18)17-11-14-26(15-12-17)13-3-6-21-24-20-5-2-1-4-19(20)22(27)25-21/h1-2,4-5,7-11H,3,6,12-15H2,(H,24,25,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human recombinant Poly (ADP-ribose) polymerase 1				J Med Chem 47: 4151-4 (2004) Article DOI: 10.1021/jm0499256 BindingDB Entry DOI: 10.7270/Q21G0KQ6
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50171744 (2-[3-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-propyl...) Show SMILES O=C1N=C(CCCN2CCC(=CC2)c2ccccc2)NC2CCSCC12 |c:10,t:2| Show InChI InChI=1S/C21H27N3OS/c25-21-18-15-26-14-10-19(18)22-20(23-21)7-4-11-24-12-8-17(9-13-24)16-5-2-1-3-6-16/h1-3,5-6,8,18-19H,4,7,9-15H2,(H,22,23,25)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Poly(ADP-ribose) polymerase 1				Bioorg Med Chem Lett 15: 4221-5 (2005) Article DOI: 10.1016/j.bmcl.2005.06.094 BindingDB Entry DOI: 10.7270/Q2VH5NDP
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50220868 (2-(3-(4-(4-chlorophenyl)-5,6-dihydropyridin-1(2H)-...) Show SMILES Clc1ccc(cc1)C1=CCN(CCCc2nc3ccccc3c(=O)[nH]2)CC1 |t:8| Show InChI InChI=1S/C22H22ClN3O/c23-18-9-7-16(8-10-18)17-11-14-26(15-12-17)13-3-6-21-24-20-5-2-1-4-19(20)22(27)25-21/h1-2,4-5,7-11H,3,6,12-15H2,(H,24,25,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of human PARP1				Bioorg Med Chem Lett 17: 5577-81 (2007) Article DOI: 10.1016/j.bmcl.2007.07.091 BindingDB Entry DOI: 10.7270/Q2Q23ZZ3
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Mus musculus (Mouse))	BDBM27724 (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)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	25
Fujisawa Pharmaceutical Co. Ltd					Assay Description To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...				Bioorg Med Chem 14: 1378-90 (2006) Article DOI: 10.1016/j.bmc.2005.09.061 BindingDB Entry DOI: 10.7270/Q2610XPZ
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27711 (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)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	8.0	23
Fujisawa Pharmaceutical Co. Ltd					Assay Description To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...				Bioorg Med Chem 14: 1378-90 (2006) Article DOI: 10.1016/j.bmc.2005.09.061 BindingDB Entry DOI: 10.7270/Q2610XPZ
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Mus musculus (Mouse))	BDBM27722 (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)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	25
Fujisawa Pharmaceutical Co. Ltd					Assay Description To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...				Bioorg Med Chem 14: 1378-90 (2006) Article DOI: 10.1016/j.bmc.2005.09.061 BindingDB Entry DOI: 10.7270/Q2610XPZ
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50151012 (2-{3-[4-(4-Hydroxy-phenyl)-3,6-dihydro-2H-pyridin-...) Show SMILES Oc1ccc(cc1)C1=CCN(CCCc2nc3ccccc3c(=O)[nH]2)CC1 |t:8| Show InChI InChI=1S/C22H23N3O2/c26-18-9-7-16(8-10-18)17-11-14-25(15-12-17)13-3-6-21-23-20-5-2-1-4-19(20)22(27)24-21/h1-2,4-5,7-11,26H,3,6,12-15H2,(H,23,24,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human recombinant Poly (ADP-ribose) polymerase 1				J Med Chem 47: 4151-4 (2004) Article DOI: 10.1021/jm0499256 BindingDB Entry DOI: 10.7270/Q21G0KQ6
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50151013 (2-{3-[4-(4-Pyridin-1-yl-phenyl)-3,6-dihydro-2H-pyr...) Show SMILES O=c1[nH]c(CCCN2CCC(=CC2)c2ccc(cc2)-[n+]2ccccc2)nc2ccccc12 |c:10| Show InChI InChI=1S/C27H26N4O/c32-27-24-7-2-3-8-25(24)28-26(29-27)9-6-16-30-19-14-22(15-20-30)21-10-12-23(13-11-21)31-17-4-1-5-18-31/h1-5,7-8,10-14,17-18H,6,9,15-16,19-20H2/p+1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human recombinant Poly (ADP-ribose) polymerase 1				J Med Chem 47: 4151-4 (2004) Article DOI: 10.1021/jm0499256 BindingDB Entry DOI: 10.7270/Q21G0KQ6
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50220878 (2-(3-(4-(4-chlorophenyl)piperazin-1-yl)cyclopent-1...) Show SMILES Cc1cccc2c1nc([nH]c2=O)C1=CC(CC1)N1CCN(CC1)c1ccc(Cl)cc1 |t:14| Show InChI InChI=1S/C24H25ClN4O/c1-16-3-2-4-21-22(16)26-23(27-24(21)30)17-5-8-20(15-17)29-13-11-28(12-14-29)19-9-6-18(25)7-10-19/h2-4,6-7,9-10,15,20H,5,8,11-14H2,1H3,(H,26,27,30)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of human PARP1				Bioorg Med Chem Lett 17: 5577-81 (2007) Article DOI: 10.1016/j.bmcl.2007.07.091 BindingDB Entry DOI: 10.7270/Q2Q23ZZ3
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50151025 (2-[3-(1,4,5,6-Tetrahydro-2H-benzo[f]isoquinolin-3-...) Show SMILES O=c1[nH]c(CCCN2CCC3=C(CCc4ccccc34)C2)nc2ccccc12 |t:10| Show InChI InChI=1S/C24H25N3O/c28-24-21-8-3-4-9-22(21)25-23(26-24)10-5-14-27-15-13-20-18(16-27)12-11-17-6-1-2-7-19(17)20/h1-4,6-9H,5,10-16H2,(H,25,26,28)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human recombinant Poly (ADP-ribose) polymerase 1				J Med Chem 47: 4151-4 (2004) Article DOI: 10.1021/jm0499256 BindingDB Entry DOI: 10.7270/Q21G0KQ6
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27708 (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 |t:8| 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)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human recombinant Poly (ADP-ribose) polymerase 1				J Med Chem 47: 4151-4 (2004) Article DOI: 10.1021/jm0499256 BindingDB Entry DOI: 10.7270/Q21G0KQ6
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27708 (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 |t:8| 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)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of human PARP1				Bioorg Med Chem Lett 17: 5577-81 (2007) Article DOI: 10.1016/j.bmcl.2007.07.091 BindingDB Entry DOI: 10.7270/Q2Q23ZZ3
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27708 (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 |t:8| 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)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	8.0	23
Fujisawa Pharmaceutical Co. Ltd					Assay Description To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...				Bioorg Med Chem 14: 1378-90 (2006) Article DOI: 10.1016/j.bmc.2005.09.061 BindingDB Entry DOI: 10.7270/Q2610XPZ
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Mus musculus (Mouse))	BDBM27719 (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)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	25
Fujisawa Pharmaceutical Co. Ltd					Assay Description To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...				Bioorg Med Chem 14: 1378-90 (2006) Article DOI: 10.1016/j.bmc.2005.09.061 BindingDB Entry DOI: 10.7270/Q2610XPZ
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50151009 (8-Methyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-y...) Show SMILES Cc1cccc2c1nc(CCCN1CCC(=CC1)c1ccccc1)[nH]c2=O |c:16| Show InChI InChI=1S/C23H25N3O/c1-17-7-5-10-20-22(17)24-21(25-23(20)27)11-6-14-26-15-12-19(13-16-26)18-8-3-2-4-9-18/h2-5,7-10,12H,6,11,13-16H2,1H3,(H,24,25,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human recombinant Poly (ADP-ribose) polymerase 1				J Med Chem 47: 4151-4 (2004) Article DOI: 10.1021/jm0499256 BindingDB Entry DOI: 10.7270/Q21G0KQ6
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50220859 ((S)-8-chloro-2-(3-(4-phenyl-5,6-dihydropyridin-1(2...) Show SMILES Clc1cccc2c1nc([nH]c2=O)C1=C[C@H](CC1)N1CCC(=CC1)c1ccccc1 |c:23,t:14| Show InChI InChI=1S/C24H22ClN3O/c25-21-8-4-7-20-22(21)26-23(27-24(20)29)18-9-10-19(15-18)28-13-11-17(12-14-28)16-5-2-1-3-6-16/h1-8,11,15,19H,9-10,12-14H2,(H,26,27,29)/t19-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of human PARP1				Bioorg Med Chem Lett 17: 5577-81 (2007) Article DOI: 10.1016/j.bmcl.2007.07.091 BindingDB Entry DOI: 10.7270/Q2Q23ZZ3
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50171741 (3-(4-Phenyl-3,6-dihydro-2H-pyridin-1-ylmethyl)-5H-...) Show SMILES O=c1[nH]c2cc(CN3CCC(=CC3)c3ccccc3)ccc2c2ccccc12 |c:10| Show InChI InChI=1S/C25H22N2O/c28-25-23-9-5-4-8-21(23)22-11-10-18(16-24(22)26-25)17-27-14-12-20(13-15-27)19-6-2-1-3-7-19/h1-12,16H,13-15,17H2,(H,26,28)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Poly(ADP-ribose) polymerase 1				Bioorg Med Chem Lett 15: 4221-5 (2005) Article DOI: 10.1016/j.bmcl.2005.06.094 BindingDB Entry DOI: 10.7270/Q2VH5NDP
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50151038 (5-Fluoro-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-y...) Show SMILES Fc1cccc2nc(CCCN3CCC(=CC3)c3ccccc3)[nH]c(=O)c12 |c:14| Show InChI InChI=1S/C22H22FN3O/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)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human recombinant Poly (ADP-ribose) polymerase 1				J Med Chem 47: 4151-4 (2004) Article DOI: 10.1021/jm0499256 BindingDB Entry DOI: 10.7270/Q21G0KQ6
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27709 (2-{3-[4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin...) Show SMILES Cc1cccc2c1nc(CCCN1CCC(=CC1)c1ccc(F)cc1)[nH]c2=O |c:16| 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)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	8.0	23
Fujisawa Pharmaceutical Co. Ltd					Assay Description To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...				Bioorg Med Chem 14: 1378-90 (2006) Article DOI: 10.1016/j.bmc.2005.09.061 BindingDB Entry DOI: 10.7270/Q2610XPZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27705 (2-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-1-yl)prop...) Show SMILES O=c1[nH]c(CCCN2CCC(=CC2)c2ccccc2)nc2ccccc12 |c:10| 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)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human recombinant Poly (ADP-ribose) polymerase 1				J Med Chem 47: 4151-4 (2004) Article DOI: 10.1021/jm0499256 BindingDB Entry DOI: 10.7270/Q21G0KQ6
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27705 (2-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-1-yl)prop...) Show SMILES O=c1[nH]c(CCCN2CCC(=CC2)c2ccccc2)nc2ccccc12 |c:10| 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)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of human PARP1				Bioorg Med Chem Lett 17: 5577-81 (2007) Article DOI: 10.1016/j.bmcl.2007.07.091 BindingDB Entry DOI: 10.7270/Q2Q23ZZ3
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50220877 (2-(3-(4-(4-chlorophenyl)-5,6-dihydropyridin-1(2H)-...) Show SMILES Cc1cccc2c1nc(CCCN1CCC(=CC1)c1ccc(Cl)cc1)[nH]c2=O |c:16| Show InChI InChI=1S/C23H24ClN3O/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)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of human PARP1				Bioorg Med Chem Lett 17: 5577-81 (2007) Article DOI: 10.1016/j.bmcl.2007.07.091 BindingDB Entry DOI: 10.7270/Q2Q23ZZ3
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50220864 (2-(3-(4-(4-fluorophenyl)-5,6-dihydropyridin-1(2H)-...) Show SMILES Fc1ccc(cc1)C1=CCN(CCCc2nc3ccccc3c(=O)[nH]2)CC1 |t:8| Show InChI InChI=1S/C22H22FN3O/c23-18-9-7-16(8-10-18)17-11-14-26(15-12-17)13-3-6-21-24-20-5-2-1-4-19(20)22(27)25-21/h1-2,4-5,7-11H,3,6,12-15H2,(H,24,25,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of human PARP1				Bioorg Med Chem Lett 17: 5577-81 (2007) Article DOI: 10.1016/j.bmcl.2007.07.091 BindingDB Entry DOI: 10.7270/Q2Q23ZZ3
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50220862 (2-(3-(4-phenyl-5,6-dihydropyridin-1(2H)-yl)cyclope...) Show SMILES O=c1[nH]c(nc2ccccc12)C1=CC(CC1)N1CCC(=CC1)c1ccccc1 |c:22,t:13| Show InChI InChI=1S/C24H23N3O/c28-24-21-8-4-5-9-22(21)25-23(26-24)19-10-11-20(16-19)27-14-12-18(13-15-27)17-6-2-1-3-7-17/h1-9,12,16,20H,10-11,13-15H2,(H,25,26,28)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of human PARP1				Bioorg Med Chem Lett 17: 5577-81 (2007) Article DOI: 10.1016/j.bmcl.2007.07.091 BindingDB Entry DOI: 10.7270/Q2Q23ZZ3
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50151015 (2-[3-(4-p-Tolyl-3,6-dihydro-2H-pyridin-1-yl)-propy...) Show SMILES Cc1ccc(cc1)C1=CCN(CCCc2nc3ccccc3c(=O)[nH]2)CC1 |t:8| Show InChI InChI=1S/C23H25N3O/c1-17-8-10-18(11-9-17)19-12-15-26(16-13-19)14-4-7-22-24-21-6-3-2-5-20(21)23(27)25-22/h2-3,5-6,8-12H,4,7,13-16H2,1H3,(H,24,25,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human recombinant Poly (ADP-ribose) polymerase 1				J Med Chem 47: 4151-4 (2004) Article DOI: 10.1021/jm0499256 BindingDB Entry DOI: 10.7270/Q21G0KQ6
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50220882 (2-(3-(4-(4-fluorophenyl)-5,6-dihydropyridin-1(2H)-...) Show SMILES Fc1ccc(cc1)C1=CCN(CC1)C1CCC(=C1)c1nc2ccccc2c(=O)[nH]1 |c:18,t:8| Show InChI InChI=1S/C24H22FN3O/c25-19-8-5-16(6-9-19)17-11-13-28(14-12-17)20-10-7-18(15-20)23-26-22-4-2-1-3-21(22)24(29)27-23/h1-6,8-9,11,15,20H,7,10,12-14H2,(H,26,27,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of human PARP1				Bioorg Med Chem Lett 17: 5577-81 (2007) Article DOI: 10.1016/j.bmcl.2007.07.091 BindingDB Entry DOI: 10.7270/Q2Q23ZZ3
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50171747 (2-[3-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-propyl...) Show SMILES O=C1N=C(CCCN2CCC(=CC2)c2ccccc2)NC2CCCCC12 |c:10,t:2| Show InChI InChI=1S/C22H29N3O/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/h1-3,7-8,12,19-20H,4-6,9-11,13-16H2,(H,23,24,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Poly(ADP-ribose) polymerase 1				Bioorg Med Chem Lett 15: 4221-5 (2005) Article DOI: 10.1016/j.bmcl.2005.06.094 BindingDB Entry DOI: 10.7270/Q2VH5NDP
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27705 (2-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-1-yl)prop...) Show SMILES O=c1[nH]c(CCCN2CCC(=CC2)c2ccccc2)nc2ccccc12 |c:10| 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)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	8.0	23
Fujisawa Pharmaceutical Co. Ltd					Assay Description To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...				Bioorg Med Chem 14: 1378-90 (2006) Article DOI: 10.1016/j.bmc.2005.09.061 BindingDB Entry DOI: 10.7270/Q2610XPZ
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27706 (8-chloro-2-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-...) Show SMILES Clc1cccc2c1nc(CCCN1CCC(=CC1)c1ccccc1)[nH]c2=O |c:16| 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)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	8.0	23
Fujisawa Pharmaceutical Co. Ltd					Assay Description To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...				Bioorg Med Chem 14: 1378-90 (2006) Article DOI: 10.1016/j.bmc.2005.09.061 BindingDB Entry DOI: 10.7270/Q2610XPZ
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50151011 (2-{3-[4-(3-Fluoro-phenyl)-3,6-dihydro-2H-pyridin-1...) Show SMILES Fc1cccc(c1)C1=CCN(CCCc2nc3ccccc3c(=O)[nH]2)CC1 |t:8| Show InChI InChI=1S/C22H22FN3O/c23-18-6-3-5-17(15-18)16-10-13-26(14-11-16)12-4-9-21-24-20-8-2-1-7-19(20)22(27)25-21/h1-3,5-8,10,15H,4,9,11-14H2,(H,24,25,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human recombinant Poly (ADP-ribose) polymerase 1				J Med Chem 47: 4151-4 (2004) Article DOI: 10.1021/jm0499256 BindingDB Entry DOI: 10.7270/Q21G0KQ6
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50220868 (2-(3-(4-(4-chlorophenyl)-5,6-dihydropyridin-1(2H)-...) Show SMILES Clc1ccc(cc1)C1=CCN(CCCc2nc3ccccc3c(=O)[nH]2)CC1 |t:8| Show InChI InChI=1S/C22H22ClN3O/c23-18-9-7-16(8-10-18)17-11-14-26(15-12-17)13-3-6-21-24-20-5-2-1-4-19(20)22(27)25-21/h1-2,4-5,7-11H,3,6,12-15H2,(H,24,25,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human recombinant Poly (ADP-ribose) polymerase 1				J Med Chem 47: 4151-4 (2004) Article DOI: 10.1021/jm0499256 BindingDB Entry DOI: 10.7270/Q21G0KQ6
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50171733 (3-Morpholin-4-ylmethyl-5H-phenanthridin-6-one | CH...) Show SMILES O=c1[nH]c2cc(CN3CCOCC3)ccc2c2ccccc12 Show InChI InChI=1S/C18H18N2O2/c21-18-16-4-2-1-3-14(16)15-6-5-13(11-17(15)19-18)12-20-7-9-22-10-8-20/h1-6,11H,7-10,12H2,(H,19,21)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Poly(ADP-ribose) polymerase 1				Bioorg Med Chem Lett 15: 4221-5 (2005) Article DOI: 10.1016/j.bmcl.2005.06.094 BindingDB Entry DOI: 10.7270/Q2VH5NDP
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50151030 (2-{3-[4-(4-Trifluoromethyl-phenyl)-3,6-dihydro-2H-...) Show SMILES FC(F)(F)c1ccc(cc1)C1=CCN(CCCc2nc3ccccc3c(=O)[nH]2)CC1 |t:11| Show InChI InChI=1S/C23H22F3N3O/c24-23(25,26)18-9-7-16(8-10-18)17-11-14-29(15-12-17)13-3-6-21-27-20-5-2-1-4-19(20)22(30)28-21/h1-2,4-5,7-11H,3,6,12-15H2,(H,27,28,30)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human recombinant Poly (ADP-ribose) polymerase 1				J Med Chem 47: 4151-4 (2004) Article DOI: 10.1021/jm0499256 BindingDB Entry DOI: 10.7270/Q21G0KQ6
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50220861 (2-(3-(4-(4-chlorophenyl)piperazin-1-yl)cyclopent-1...) Show SMILES Clc1ccc(cc1)N1CCN(CC1)C1CCC(=C1)c1nc2ccccc2c(=O)[nH]1 |c:18| Show InChI InChI=1S/C23H23ClN4O/c24-17-6-9-18(10-7-17)27-11-13-28(14-12-27)19-8-5-16(15-19)22-25-21-4-2-1-3-20(21)23(29)26-22/h1-4,6-7,9-10,15,19H,5,8,11-14H2,(H,25,26,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of human PARP1				Bioorg Med Chem Lett 17: 5577-81 (2007) Article DOI: 10.1016/j.bmcl.2007.07.091 BindingDB Entry DOI: 10.7270/Q2Q23ZZ3
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50220875 (2-(3-(4-(4-fluorophenyl)-5,6-dihydropyridin-1(2H)-...) Show SMILES Cc1cccc2c1nc([nH]c2=O)C1=CC(CC1)N1CCC(=CC1)c1ccc(F)cc1 |c:23,t:14| Show InChI InChI=1S/C25H24FN3O/c1-16-3-2-4-22-23(16)27-24(28-25(22)30)19-7-10-21(15-19)29-13-11-18(12-14-29)17-5-8-20(26)9-6-17/h2-6,8-9,11,15,21H,7,10,12-14H2,1H3,(H,27,28,30)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of human PARP1				Bioorg Med Chem Lett 17: 5577-81 (2007) Article DOI: 10.1016/j.bmcl.2007.07.091 BindingDB Entry DOI: 10.7270/Q2Q23ZZ3
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50220883 (8-chloro-2-(3-(4-(4-fluorophenyl)piperazin-1-yl)cy...) Show SMILES Fc1ccc(cc1)N1CCN(CC1)C1CCC(=C1)c1nc2c(Cl)cccc2c(=O)[nH]1 |c:18| Show InChI InChI=1S/C23H22ClFN4O/c24-20-3-1-2-19-21(20)26-22(27-23(19)30)15-4-7-18(14-15)29-12-10-28(11-13-29)17-8-5-16(25)6-9-17/h1-3,5-6,8-9,14,18H,4,7,10-13H2,(H,26,27,30)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of human PARP1				Bioorg Med Chem Lett 17: 5577-81 (2007) Article DOI: 10.1016/j.bmcl.2007.07.091 BindingDB Entry DOI: 10.7270/Q2Q23ZZ3
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50151033 (8-Methoxy-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-...) Show SMILES COc1cccc2c1nc(CCCN1CCC(=CC1)c1ccccc1)[nH]c2=O |c:17| Show InChI InChI=1S/C23H25N3O2/c1-28-20-10-5-9-19-22(20)24-21(25-23(19)27)11-6-14-26-15-12-18(13-16-26)17-7-3-2-4-8-17/h2-5,7-10,12H,6,11,13-16H2,1H3,(H,24,25,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human recombinant Poly (ADP-ribose) polymerase 1				J Med Chem 47: 4151-4 (2004) Article DOI: 10.1021/jm0499256 BindingDB Entry DOI: 10.7270/Q21G0KQ6
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27706 (8-chloro-2-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-...) Show SMILES Clc1cccc2c1nc(CCCN1CCC(=CC1)c1ccccc1)[nH]c2=O |c:16| 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)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of human PARP1				Bioorg Med Chem Lett 17: 5577-81 (2007) Article DOI: 10.1016/j.bmcl.2007.07.091 BindingDB Entry DOI: 10.7270/Q2Q23ZZ3
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27706 (8-chloro-2-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-...) Show SMILES Clc1cccc2c1nc(CCCN1CCC(=CC1)c1ccccc1)[nH]c2=O |c:16| 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)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human recombinant Poly (ADP-ribose) polymerase 1				J Med Chem 47: 4151-4 (2004) Article DOI: 10.1021/jm0499256 BindingDB Entry DOI: 10.7270/Q21G0KQ6
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50151032 (6-Chloro-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-y...) Show SMILES Clc1ccc2nc(CCCN3CCC(=CC3)c3ccccc3)[nH]c(=O)c2c1 |c:13| Show InChI InChI=1S/C22H22ClN3O/c23-18-8-9-20-19(15-18)22(27)25-21(24-20)7-4-12-26-13-10-17(11-14-26)16-5-2-1-3-6-16/h1-3,5-6,8-10,15H,4,7,11-14H2,(H,24,25,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human recombinant Poly (ADP-ribose) polymerase 1				J Med Chem 47: 4151-4 (2004) Article DOI: 10.1021/jm0499256 BindingDB Entry DOI: 10.7270/Q21G0KQ6
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50220880 (2-(3-(4-(4-fluorophenyl)piperidin-1-yl)cyclopent-1...) Show SMILES Cc1cccc2c1nc([nH]c2=O)C1=CC(CC1)N1CCC(CC1)c1ccc(F)cc1 |t:14| Show InChI InChI=1S/C25H26FN3O/c1-16-3-2-4-22-23(16)27-24(28-25(22)30)19-7-10-21(15-19)29-13-11-18(12-14-29)17-5-8-20(26)9-6-17/h2-6,8-9,15,18,21H,7,10-14H2,1H3,(H,27,28,30)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of human PARP1				Bioorg Med Chem Lett 17: 5577-81 (2007) Article DOI: 10.1016/j.bmcl.2007.07.091 BindingDB Entry DOI: 10.7270/Q2Q23ZZ3
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27720 (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)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	8.0	23
Fujisawa Pharmaceutical Co. Ltd					Assay Description To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...				Bioorg Med Chem 14: 1378-90 (2006) Article DOI: 10.1016/j.bmc.2005.09.061 BindingDB Entry DOI: 10.7270/Q2610XPZ
					More data for this Ligand-Target Pair				3D Structure (crystal)

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