Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with all data for entry = 50012790   

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))	BDBM50122777 (1-Phenyl-8,9-dihydro-7H-2,7,9a-triaza-benzo[cd]azu...) Show SMILES O=C1NCCn2c(nc3cccc1c23)-c1ccccc1 Show InChI InChI=1S/C16H13N3O/c20-16-12-7-4-8-13-14(12)19(10-9-17-16)15(18-13)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,17,20)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global R&D Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human full length Poly (ADP-ribose) polymerase 1				J Med Chem 46: 210-3 (2003) Article DOI: 10.1021/jm0255769 BindingDB Entry DOI: 10.7270/Q2154GDB
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50122775 (1-(4-Hydroxymethyl-phenyl)-8,9-dihydro-7H-2,7,9a-t...) Show SMILES OCc1ccc(cc1)-c1nc2cccc3C(=O)NCCn1c23 Show InChI InChI=1S/C17H15N3O2/c21-10-11-4-6-12(7-5-11)16-19-14-3-1-2-13-15(14)20(16)9-8-18-17(13)22/h1-7,21H,8-10H2,(H,18,22)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global R&D Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human full length Poly (ADP-ribose) polymerase 1				J Med Chem 46: 210-3 (2003) Article DOI: 10.1021/jm0255769 BindingDB Entry DOI: 10.7270/Q2154GDB
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50122781 (1-Naphthalen-1-yl-8,9-dihydro-7H-2,7,9a-triaza-ben...) Show SMILES O=C1NCCn2c(nc3cccc1c23)-c1cccc2ccccc12 Show InChI InChI=1S/C20H15N3O/c24-20-16-9-4-10-17-18(16)23(12-11-21-20)19(22-17)15-8-3-6-13-5-1-2-7-14(13)15/h1-10H,11-12H2,(H,21,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global R&D Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human full length Poly (ADP-ribose) polymerase 1				J Med Chem 46: 210-3 (2003) Article DOI: 10.1021/jm0255769 BindingDB Entry DOI: 10.7270/Q2154GDB
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50122779 (1-(4-Chloro-phenyl)-8,9-dihydro-7H-2,7,9a-triaza-b...) Show SMILES Clc1ccc(cc1)-c1nc2cccc3C(=O)NCCn1c23 Show InChI InChI=1S/C16H12ClN3O/c17-11-6-4-10(5-7-11)15-19-13-3-1-2-12-14(13)20(15)9-8-18-16(12)21/h1-7H,8-9H2,(H,18,21)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global R&D Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human full length Poly (ADP-ribose) polymerase 1				J Med Chem 46: 210-3 (2003) Article DOI: 10.1021/jm0255769 BindingDB Entry DOI: 10.7270/Q2154GDB
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50122776 (1-(4-Dimethylaminomethyl-phenyl)-8,9-dihydro-7H-2,...) Show SMILES CN(C)Cc1ccc(cc1)-c1nc2cccc3C(=O)NCCn1c23 Show InChI InChI=1S/C19H20N4O/c1-22(2)12-13-6-8-14(9-7-13)18-21-16-5-3-4-15-17(16)23(18)11-10-20-19(15)24/h3-9H,10-12H2,1-2H3,(H,20,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global R&D Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human full length Poly (ADP-ribose) polymerase 1				J Med Chem 46: 210-3 (2003) Article DOI: 10.1021/jm0255769 BindingDB Entry DOI: 10.7270/Q2154GDB
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50122772 (1-(3-Dimethylaminomethyl-phenyl)-8,9-dihydro-7H-2,...) Show SMILES CN(C)Cc1cccc(c1)-c1nc2cccc3C(=O)NCCn1c23 Show InChI InChI=1S/C19H20N4O/c1-22(2)12-13-5-3-6-14(11-13)18-21-16-8-4-7-15-17(16)23(18)10-9-20-19(15)24/h3-8,11H,9-10,12H2,1-2H3,(H,20,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global R&D Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human full length Poly (ADP-ribose) polymerase 1				J Med Chem 46: 210-3 (2003) Article DOI: 10.1021/jm0255769 BindingDB Entry DOI: 10.7270/Q2154GDB
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50122774 (1-(2-Chloro-phenyl)-8,9-dihydro-7H-2,7,9a-triaza-b...) Show SMILES Clc1ccccc1-c1nc2cccc3C(=O)NCCn1c23 Show InChI InChI=1S/C16H12ClN3O/c17-12-6-2-1-4-10(12)15-19-13-7-3-5-11-14(13)20(15)9-8-18-16(11)21/h1-7H,8-9H2,(H,18,21)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global R&D Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human full length Poly (ADP-ribose) polymerase 1				J Med Chem 46: 210-3 (2003) Article DOI: 10.1021/jm0255769 BindingDB Entry DOI: 10.7270/Q2154GDB
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50122780 (1-(3-Hydroxymethyl-phenyl)-8,9-dihydro-7H-2,7,9a-t...) Show SMILES OCc1cccc(c1)-c1nc2cccc3C(=O)NCCn1c23 Show InChI InChI=1S/C17H15N3O2/c21-10-11-3-1-4-12(9-11)16-19-14-6-2-5-13-15(14)20(16)8-7-18-17(13)22/h1-6,9,21H,7-8,10H2,(H,18,22)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global R&D Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human full length Poly (ADP-ribose) polymerase 1				J Med Chem 46: 210-3 (2003) Article DOI: 10.1021/jm0255769 BindingDB Entry DOI: 10.7270/Q2154GDB
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50122773 (1-(3-Trifluoromethyl-phenyl)-8,9-dihydro-7H-2,7,9a...) Show SMILES FC(F)(F)c1cccc(c1)-c1nc2cccc3C(=O)NCCn1c23 Show InChI InChI=1S/C17H12F3N3O/c18-17(19,20)11-4-1-3-10(9-11)15-22-13-6-2-5-12-14(13)23(15)8-7-21-16(12)24/h1-6,9H,7-8H2,(H,21,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	11.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global R&D Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human full length Poly (ADP-ribose) polymerase 1				J Med Chem 46: 210-3 (2003) Article DOI: 10.1021/jm0255769 BindingDB Entry DOI: 10.7270/Q2154GDB
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50122778 (1-Methyl-8,9-dihydro-7H-2,7,9a-triaza-benzo[cd]azu...) Show SMILES Cc1nc2cccc3C(=O)NCCn1c23 Show InChI InChI=1S/C11H11N3O/c1-7-13-9-4-2-3-8-10(9)14(7)6-5-12-11(8)15/h2-4H,5-6H2,1H3,(H,12,15)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global R&D Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human full length Poly (ADP-ribose) polymerase 1				J Med Chem 46: 210-3 (2003) Article DOI: 10.1021/jm0255769 BindingDB Entry DOI: 10.7270/Q2154GDB
					More data for this Ligand-Target Pair