Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50306255'   

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))	BDBM50306255 (1-(2-(3-methylbenzo[b]thiophen-2-yl)acetyl)-2,3,9,...) Show SMILES Cc1c(CC(=O)N2CCc3cccc4C(=O)NCC2c34)sc2ccccc12 Show InChI InChI=1S/C22H20N2O2S/c1-13-15-6-2-3-8-18(15)27-19(13)11-20(25)24-10-9-14-5-4-7-16-21(14)17(24)12-23-22(16)26/h2-8,17H,9-12H2,1H3,(H,23,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by scintillation proximity assay				Bioorg Med Chem Lett 20: 448-52 (2010) Article DOI: 10.1016/j.bmcl.2009.12.002 BindingDB Entry DOI: 10.7270/Q2GT5N91
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50306255 (1-(2-(3-methylbenzo[b]thiophen-2-yl)acetyl)-2,3,9,...) Show SMILES Cc1c(CC(=O)N2CCc3cccc4C(=O)NCC2c34)sc2ccccc12 Show InChI InChI=1S/C22H20N2O2S/c1-13-15-6-2-3-8-18(15)27-19(13)11-20(25)24-10-9-14-5-4-7-16-21(14)17(24)12-23-22(16)26/h2-8,17H,9-12H2,1H3,(H,23,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a
IRBM-Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of PARP1 in human HeLa cells assessed as inhibition of hydrogen peroxide-induced poly(ADP-ribosyl)ation				Bioorg Med Chem Lett 20: 448-52 (2010) Article DOI: 10.1016/j.bmcl.2009.12.002 BindingDB Entry DOI: 10.7270/Q2GT5N91
					More data for this Ligand-Target Pair