Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50296554'   

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))	BDBM50296554 (2-(1-methylpiperidin-4-yl)-N-(2-(6-oxo-6,7,8,9-tet...) Show SMILES CN1CCC(CC(=O)NCCc2c[nH]c3ccc4C(=O)NCCc4c23)CC1 Show InChI InChI=1S/C21H28N4O2/c1-25-10-6-14(7-11-25)12-19(26)22-8-4-15-13-24-18-3-2-17-16(20(15)18)5-9-23-21(17)27/h2-3,13-14,24H,4-12H2,1H3,(H,22,26)(H,23,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	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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