Compile Data Set for Download or QSAR

Found 30 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50031614   

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))	BDBM50316229 (2-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2H-indazole...) Show SMILES NC(=O)c1cccc2cn(nc12)-c1ccc2CNCCc2c1 Show InChI InChI=1S/C17H16N4O/c18-17(22)15-3-1-2-13-10-21(20-16(13)15)14-5-4-12-9-19-7-6-11(12)8-14/h1-5,8,10,19H,6-7,9H2,(H2,18,22)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
IRBM/Merck Research Labs Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by SPA				J Med Chem 52: 7170-85 (2009) Article DOI: 10.1021/jm901188v BindingDB Entry DOI: 10.7270/Q2DN457M
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50316242 (2-(4-(piperidin-1-ylmethyl)phenyl)-2H-indazole-7-c...) Show SMILES NC(=O)c1cccc2cn(nc12)-c1ccc(CN2CCCCC2)cc1 Show InChI InChI=1S/C20H22N4O/c21-20(25)18-6-4-5-16-14-24(22-19(16)18)17-9-7-15(8-10-17)13-23-11-2-1-3-12-23/h4-10,14H,1-3,11-13H2,(H2,21,25)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
IRBM/Merck Research Labs Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by SPA				J Med Chem 52: 7170-85 (2009) Article DOI: 10.1021/jm901188v BindingDB Entry DOI: 10.7270/Q2DN457M
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50316237 (2-(4-{[(2-Fluoroethyl)amino]methyl}phenyl)-2H-inda...) Show SMILES NC(=O)c1cccc2cn(nc12)-c1ccc(CNCCF)cc1 Show InChI InChI=1S/C17H17FN4O/c18-8-9-20-10-12-4-6-14(7-5-12)22-11-13-2-1-3-15(17(19)23)16(13)21-22/h1-7,11,20H,8-10H2,(H2,19,23)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
IRBM/Merck Research Labs Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by SPA				J Med Chem 52: 7170-85 (2009) Article DOI: 10.1021/jm901188v BindingDB Entry DOI: 10.7270/Q2DN457M
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50316230 (2-(1,2,3,4-tetrahydroisoquinolin-7-yl)-2H-indazole...) Show SMILES NC(=O)c1cccc2cn(nc12)-c1ccc2CCNCc2c1 Show InChI InChI=1S/C17H16N4O/c18-17(22)15-3-1-2-12-10-21(20-16(12)15)14-5-4-11-6-7-19-9-13(11)8-14/h1-5,8,10,19H,6-7,9H2,(H2,18,22)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
IRBM/Merck Research Labs Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by SPA				J Med Chem 52: 7170-85 (2009) Article DOI: 10.1021/jm901188v BindingDB Entry DOI: 10.7270/Q2DN457M
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50316225 ((R)-2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-car...) Show SMILES NC(=O)c1cccc2cn(nc12)-c1ccc(cc1)[C@H]1CCCNC1 |r| Show InChI InChI=1S/C19H20N4O/c20-19(24)17-5-1-3-15-12-23(22-18(15)17)16-8-6-13(7-9-16)14-4-2-10-21-11-14/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24)/t14-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
IRBM/Merck Research Labs Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by SPA				J Med Chem 52: 7170-85 (2009) Article DOI: 10.1021/jm901188v BindingDB Entry DOI: 10.7270/Q2DN457M
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50316228 (2-(4-(pyrrolidin-2-yl)phenyl)-2H-indazole-7-carbox...) Show SMILES NC(=O)c1cccc2cn(nc12)-c1ccc(cc1)C1CCCN1 Show InChI InChI=1S/C18H18N4O/c19-18(23)15-4-1-3-13-11-22(21-17(13)15)14-8-6-12(7-9-14)16-5-2-10-20-16/h1,3-4,6-9,11,16,20H,2,5,10H2,(H2,19,23)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
IRBM/Merck Research Labs Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by SPA				J Med Chem 52: 7170-85 (2009) Article DOI: 10.1021/jm901188v BindingDB Entry DOI: 10.7270/Q2DN457M
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50316226 ((S)-2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-car...) Show SMILES NC(=O)c1cccc2cn(nc12)-c1ccc(cc1)[C@@H]1CCCNC1 |r| Show InChI InChI=1S/C19H20N4O/c20-19(24)17-5-1-3-15-12-23(22-18(15)17)16-8-6-13(7-9-16)14-4-2-10-21-11-14/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24)/t14-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
IRBM/Merck Research Labs Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by SPA				J Med Chem 52: 7170-85 (2009) Article DOI: 10.1021/jm901188v BindingDB Entry DOI: 10.7270/Q2DN457M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50316225 ((R)-2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-car...) Show SMILES NC(=O)c1cccc2cn(nc12)-c1ccc(cc1)[C@H]1CCCNC1 |r| Show InChI InChI=1S/C19H20N4O/c20-19(24)17-5-1-3-15-12-23(22-18(15)17)16-8-6-13(7-9-16)14-4-2-10-21-11-14/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24)/t14-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
IRBM/Merck Research Labs Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by SPA				J Med Chem 52: 7170-85 (2009) Article DOI: 10.1021/jm901188v BindingDB Entry DOI: 10.7270/Q2DN457M
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50316244 (2-(4-((dimethylamino)methyl)phenyl)-2H-indazole-7-...) Show SMILES CN(C)Cc1ccc(cc1)-n1cc2cccc(C(N)=O)c2n1 Show InChI InChI=1S/C17H18N4O/c1-20(2)10-12-6-8-14(9-7-12)21-11-13-4-3-5-15(17(18)22)16(13)19-21/h3-9,11H,10H2,1-2H3,(H2,18,22)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
IRBM/Merck Research Labs Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by SPA				J Med Chem 52: 7170-85 (2009) Article DOI: 10.1021/jm901188v BindingDB Entry DOI: 10.7270/Q2DN457M
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50316234 (2-(4-(1-(methylamino)ethyl)phenyl)-2H-indazole-7-c...) Show SMILES CNC(C)c1ccc(cc1)-n1cc2cccc(C(N)=O)c2n1 Show InChI InChI=1S/C17H18N4O/c1-11(19-2)12-6-8-14(9-7-12)21-10-13-4-3-5-15(17(18)22)16(13)20-21/h3-11,19H,1-2H3,(H2,18,22)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
IRBM/Merck Research Labs Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by SPA				J Med Chem 52: 7170-85 (2009) Article DOI: 10.1021/jm901188v BindingDB Entry DOI: 10.7270/Q2DN457M
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50306210 (2-(4-((methylamino)methyl)phenyl)-2H-indazole-7-ca...) Show SMILES CNCc1ccc(cc1)-n1cc2cccc(C(N)=O)c2n1 Show InChI InChI=1S/C16H16N4O/c1-18-9-11-5-7-13(8-6-11)20-10-12-3-2-4-14(16(17)21)15(12)19-20/h2-8,10,18H,9H2,1H3,(H2,17,21)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
IRBM/Merck Research Labs Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by SPA				J Med Chem 52: 7170-85 (2009) Article DOI: 10.1021/jm901188v BindingDB Entry DOI: 10.7270/Q2DN457M
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50316238 (2-{4-[(Ethylamino)methyl]phenyl}-2H-indazole-7-car...) Show SMILES CCNCc1ccc(cc1)-n1cc2cccc(C(N)=O)c2n1 Show InChI InChI=1S/C17H18N4O/c1-2-19-10-12-6-8-14(9-7-12)21-11-13-4-3-5-15(17(18)22)16(13)20-21/h3-9,11,19H,2,10H2,1H3,(H2,18,22)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
IRBM/Merck Research Labs Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by SPA				J Med Chem 52: 7170-85 (2009) Article DOI: 10.1021/jm901188v BindingDB Entry DOI: 10.7270/Q2DN457M
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50316243 (2-[4-(Pyrrolidin-1-ylmethyl)phenyl]-2H-indazole-7-...) Show SMILES NC(=O)c1cccc2cn(nc12)-c1ccc(CN2CCCC2)cc1 Show InChI InChI=1S/C19H20N4O/c20-19(24)17-5-3-4-15-13-23(21-18(15)17)16-8-6-14(7-9-16)12-22-10-1-2-11-22/h3-9,13H,1-2,10-12H2,(H2,20,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
IRBM/Merck Research Labs Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by SPA				J Med Chem 52: 7170-85 (2009) Article DOI: 10.1021/jm901188v BindingDB Entry DOI: 10.7270/Q2DN457M
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50316231 (2-(3-((methylamino)methyl)phenyl)-2H-indazole-7-ca...) Show SMILES CNCc1cccc(c1)-n1cc2cccc(C(N)=O)c2n1 Show InChI InChI=1S/C16H16N4O/c1-18-9-11-4-2-6-13(8-11)20-10-12-5-3-7-14(16(17)21)15(12)19-20/h2-8,10,18H,9H2,1H3,(H2,17,21)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
IRBM/Merck Research Labs Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by SPA				J Med Chem 52: 7170-85 (2009) Article DOI: 10.1021/jm901188v BindingDB Entry DOI: 10.7270/Q2DN457M
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50316239 (2-(4-(((2-(dimethylamino)ethyl)(methyl)amino)methy...) Show SMILES CN(C)CCN(C)Cc1ccc(cc1)-n1cc2cccc(C(N)=O)c2n1 Show InChI InChI=1S/C20H25N5O/c1-23(2)11-12-24(3)13-15-7-9-17(10-8-15)25-14-16-5-4-6-18(20(21)26)19(16)22-25/h4-10,14H,11-13H2,1-3H3,(H2,21,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
IRBM/Merck Research Labs Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by SPA				J Med Chem 52: 7170-85 (2009) Article DOI: 10.1021/jm901188v BindingDB Entry DOI: 10.7270/Q2DN457M
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50316235 (2-(4-((isopropylamino)methyl)phenyl)-2H-indazole-7...) Show SMILES CC(C)NCc1ccc(cc1)-n1cc2cccc(C(N)=O)c2n1 Show InChI InChI=1S/C18H20N4O/c1-12(2)20-10-13-6-8-15(9-7-13)22-11-14-4-3-5-16(18(19)23)17(14)21-22/h3-9,11-12,20H,10H2,1-2H3,(H2,19,23)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
IRBM/Merck Research Labs Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by SPA				J Med Chem 52: 7170-85 (2009) Article DOI: 10.1021/jm901188v BindingDB Entry DOI: 10.7270/Q2DN457M
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50316227 (2-(4-(piperidin-4-yl)phenyl)-2H-indazole-7-carboxa...) Show SMILES NC(=O)c1cccc2cn(nc12)-c1ccc(cc1)C1CCNCC1 Show InChI InChI=1S/C19H20N4O/c20-19(24)17-3-1-2-15-12-23(22-18(15)17)16-6-4-13(5-7-16)14-8-10-21-11-9-14/h1-7,12,14,21H,8-11H2,(H2,20,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia 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	n/a
IRBM/Merck Research Labs Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by SPA				J Med Chem 52: 7170-85 (2009) Article DOI: 10.1021/jm901188v BindingDB Entry DOI: 10.7270/Q2DN457M
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50316236 (2-(4-{[(2,2-Difluoroethyl)amino]methyl}phenyl)-2H-...) Show SMILES NC(=O)c1cccc2cn(nc12)-c1ccc(CNCC(F)F)cc1 Show InChI InChI=1S/C17H16F2N4O/c18-15(19)9-21-8-11-4-6-13(7-5-11)23-10-12-2-1-3-14(17(20)24)16(12)22-23/h1-7,10,15,21H,8-9H2,(H2,20,24)	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
IRBM/Merck Research Labs Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by SPA				J Med Chem 52: 7170-85 (2009) Article DOI: 10.1021/jm901188v BindingDB Entry DOI: 10.7270/Q2DN457M
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50316249 (2-(3-Chlorophenyl)-2H-indazole-7-carboxamide | CHE...) Show SMILES NC(=O)c1cccc2cn(nc12)-c1cccc(Cl)c1 Show InChI InChI=1S/C14H10ClN3O/c15-10-4-2-5-11(7-10)18-8-9-3-1-6-12(14(16)19)13(9)17-18/h1-8H,(H2,16,19)	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
IRBM/Merck Research Labs Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by SPA				J Med Chem 52: 7170-85 (2009) Article DOI: 10.1021/jm901188v BindingDB Entry DOI: 10.7270/Q2DN457M
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50316233 (2-(4-(2-(methylamino)propan-2-yl)phenyl)-2H-indazo...) Show SMILES CNC(C)(C)c1ccc(cc1)-n1cc2cccc(C(N)=O)c2n1 Show InChI InChI=1S/C18H20N4O/c1-18(2,20-3)13-7-9-14(10-8-13)22-11-12-5-4-6-15(17(19)23)16(12)21-22/h4-11,20H,1-3H3,(H2,19,23)	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
IRBM/Merck Research Labs Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by SPA				J Med Chem 52: 7170-85 (2009) Article DOI: 10.1021/jm901188v BindingDB Entry DOI: 10.7270/Q2DN457M
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50316241 (2-[4-(Morpholin-4-ylmethyl)phenyl]-2H-indazole-7-c...) Show SMILES NC(=O)c1cccc2cn(nc12)-c1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C19H20N4O2/c20-19(24)17-3-1-2-15-13-23(21-18(15)17)16-6-4-14(5-7-16)12-22-8-10-25-11-9-22/h1-7,13H,8-12H2,(H2,20,24)	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
IRBM/Merck Research Labs Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by SPA				J Med Chem 52: 7170-85 (2009) Article DOI: 10.1021/jm901188v BindingDB Entry DOI: 10.7270/Q2DN457M
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50306166 (2-phenyl-2H-indazole-7-carboxamide | CHEMBL594298) Show SMILES NC(=O)c1cccc2cn(nc12)-c1ccccc1 Show InChI InChI=1S/C14H11N3O/c15-14(18)12-8-4-5-10-9-17(16-13(10)12)11-6-2-1-3-7-11/h1-9H,(H2,15,18)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
IRBM/Merck Research Labs Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by SPA				J Med Chem 52: 7170-85 (2009) Article DOI: 10.1021/jm901188v BindingDB Entry DOI: 10.7270/Q2DN457M
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50316248 (2-(4-Chlorophenyl)-2H-indazole-7-carboxamide | CHE...) Show SMILES NC(=O)c1cccc2cn(nc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C14H10ClN3O/c15-10-4-6-11(7-5-10)18-8-9-2-1-3-12(14(16)19)13(9)17-18/h1-8H,(H2,16,19)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
IRBM/Merck Research Labs Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by SPA				J Med Chem 52: 7170-85 (2009) Article DOI: 10.1021/jm901188v BindingDB Entry DOI: 10.7270/Q2DN457M
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50316240 (2-{4-[(4-Methylpiperazin-1-yl)methyl]phenyl}-2H-in...) Show SMILES CN1CCN(Cc2ccc(cc2)-n2cc3cccc(C(N)=O)c3n2)CC1 Show InChI InChI=1S/C20H23N5O/c1-23-9-11-24(12-10-23)13-15-5-7-17(8-6-15)25-14-16-3-2-4-18(20(21)26)19(16)22-25/h2-8,14H,9-13H2,1H3,(H2,21,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
IRBM/Merck Research Labs Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by SPA				J Med Chem 52: 7170-85 (2009) Article DOI: 10.1021/jm901188v BindingDB Entry DOI: 10.7270/Q2DN457M
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50316246 (2-phenylpyrazolo-[1,5-a]pyridine-7-carboxamide | C...) Show SMILES NC(=O)c1cccc2cc(nn12)C1CCCCC1 Show InChI InChI=1S/C14H17N3O/c15-14(18)13-8-4-7-11-9-12(16-17(11)13)10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2,(H2,15,18)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
IRBM/Merck Research Labs Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by SPA				J Med Chem 52: 7170-85 (2009) Article DOI: 10.1021/jm901188v BindingDB Entry DOI: 10.7270/Q2DN457M
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50316247 (2-phenyl-2H-benzo[d][1,2,3]triazole-4-carboxamide ...) Show SMILES NC(=O)c1cccc2nn(nc12)-c1ccccc1 Show InChI InChI=1S/C13H10N4O/c14-13(18)10-7-4-8-11-12(10)16-17(15-11)9-5-2-1-3-6-9/h1-8H,(H2,14,18)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
IRBM/Merck Research Labs Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by SPA				J Med Chem 52: 7170-85 (2009) Article DOI: 10.1021/jm901188v BindingDB Entry DOI: 10.7270/Q2DN457M
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50316250 (2-(2-Chlorophenyl)-2H-indazole-7-carboxamide | CHE...) Show SMILES NC(=O)c1cccc2cn(nc12)-c1ccccc1Cl Show InChI InChI=1S/C14H10ClN3O/c15-11-6-1-2-7-12(11)18-8-9-4-3-5-10(14(16)19)13(9)17-18/h1-8H,(H2,16,19)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
IRBM/Merck Research Labs Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by SPA				J Med Chem 52: 7170-85 (2009) Article DOI: 10.1021/jm901188v BindingDB Entry DOI: 10.7270/Q2DN457M
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50316251 (2-Benzyl-2H-indazole-7-carboxamide | CHEMBL1094951) Show SMILES NC(=O)c1cccc2cn(Cc3ccccc3)nc12 Show InChI InChI=1S/C15H13N3O/c16-15(19)13-8-4-7-12-10-18(17-14(12)13)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H2,16,19)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
IRBM/Merck Research Labs Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by SPA				J Med Chem 52: 7170-85 (2009) Article DOI: 10.1021/jm901188v BindingDB Entry DOI: 10.7270/Q2DN457M
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50316232 (2-(4-(2-(methylamino)ethyl)phenyl)-2H-indazole-7-c...) Show SMILES CNCCc1ccc(cc1)-n1cc2cccc(C(N)=O)c2n1 Show InChI InChI=1S/C17H18N4O/c1-19-10-9-12-5-7-14(8-6-12)21-11-13-3-2-4-15(17(18)22)16(13)20-21/h2-8,11,19H,9-10H2,1H3,(H2,18,22)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
IRBM/Merck Research Labs Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by SPA				J Med Chem 52: 7170-85 (2009) Article DOI: 10.1021/jm901188v BindingDB Entry DOI: 10.7270/Q2DN457M
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50316245 (2-phenyl[1,2,4]triazolo[1,5-a]pyridine-8-carboxami...) Show SMILES NC(=O)c1cccn2nc(nc12)-c1ccccc1 Show InChI InChI=1S/C13H10N4O/c14-11(18)10-7-4-8-17-13(10)15-12(16-17)9-5-2-1-3-6-9/h1-8H,(H2,14,18)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
IRBM/Merck Research Labs Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by SPA				J Med Chem 52: 7170-85 (2009) Article DOI: 10.1021/jm901188v BindingDB Entry DOI: 10.7270/Q2DN457M
					More data for this Ligand-Target Pair