Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50306282'   

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))	BDBM50306282 (1-(4-(1,4-diazepane-1-carbonyl)benzoyl)-2,3,9,9a-t...) Show SMILES O=C(N1CCc2cccc3C(=O)NCC1c23)c1ccc(cc1)C(=O)N1CCCNCC1 Show InChI InChI=1S/C24H26N4O3/c29-22-19-4-1-3-16-9-13-28(20(15-26-22)21(16)19)24(31)18-7-5-17(6-8-18)23(30)27-12-2-10-25-11-14-27/h1,3-8,20,25H,2,9-15H2,(H,26,29)	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 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
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