Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50296555'   

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))	BDBM50296555 (2-(dimethylamino)-N-(2-(6-oxo-6,7,8,9-tetrahydro-3...) Show SMILES CN(C)CC(=O)NCCc1c[nH]c2ccc3C(=O)NCCc3c12 Show InChI InChI=1S/C17H22N4O2/c1-21(2)10-15(22)18-7-5-11-9-20-14-4-3-13-12(16(11)14)6-8-19-17(13)23/h3-4,9,20H,5-8,10H2,1-2H3,(H,18,22)(H,19,23)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	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 by microplate scintillation counting				Bioorg Med Chem Lett 19: 4042-5 (2009) Article DOI: 10.1016/j.bmcl.2009.06.031 BindingDB Entry DOI: 10.7270/Q2WH2Q09
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