Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50300024'   

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))	BDBM50300024 (2-(4-(1H-Tetrazol-5-yl)phenyl)-1H-benzo[d]imidazol...) Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)-c1nnn[nH]1 Show InChI InChI=1S/C15H11N7O/c16-13(23)10-2-1-3-11-12(10)18-14(17-11)8-4-6-9(7-5-8)15-19-21-22-20-15/h1-7H,(H2,16,23)(H,17,18)(H,19,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of PARP1 by scintillation counting				J Med Chem 52: 6803-13 (2009) Article DOI: 10.1021/jm900697r BindingDB Entry DOI: 10.7270/Q2DN4548
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