Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50306243'   

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))	BDBM50306243 (1-(2-(3-chlorophenyl)acetyl)-2,3,9,9a-tetrahydro-1...) Show SMILES Clc1cccc(CC(=O)N2CCc3cccc4C(=O)NCC2c34)c1 Show InChI InChI=1S/C19H17ClN2O2/c20-14-5-1-3-12(9-14)10-17(23)22-8-7-13-4-2-6-15-18(13)16(22)11-21-19(15)24/h1-6,9,16H,7-8,10-11H2,(H,21,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	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))	BDBM50306243 (1-(2-(3-chlorophenyl)acetyl)-2,3,9,9a-tetrahydro-1...) Show SMILES Clc1cccc(CC(=O)N2CCc3cccc4C(=O)NCC2c34)c1 Show InChI InChI=1S/C19H17ClN2O2/c20-14-5-1-3-12(9-14)10-17(23)22-8-7-13-4-2-6-15-18(13)16(22)11-21-19(15)24/h1-6,9,16H,7-8,10-11H2,(H,21,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.10E+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