Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50306278'   

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))	BDBM50306278 (1-(benzylsulfonyl)-2,3,9,9a-tetrahydro-1H-benzo[de...) Show SMILES O=C1NCC2N(CCc3cccc1c23)S(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C18H18N2O3S/c21-18-15-8-4-7-14-9-10-20(16(11-19-18)17(14)15)24(22,23)12-13-5-2-1-3-6-13/h1-8,16H,9-12H2,(H,19,21)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	83	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))	BDBM50306278 (1-(benzylsulfonyl)-2,3,9,9a-tetrahydro-1H-benzo[de...) Show SMILES O=C1NCC2N(CCc3cccc1c23)S(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C18H18N2O3S/c21-18-15-8-4-7-14-9-10-20(16(11-19-18)17(14)15)24(22,23)12-13-5-2-1-3-6-13/h1-8,16H,9-12H2,(H,19,21)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.70E+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