Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50055883'   

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))	BDBM50055883 (CHEMBL3317899) Show SMILES CC(=O)N1CCN(CC1)C(=O)c1csc(Cc2n[nH]c(=O)c3ccccc23)c1 Show InChI InChI=1S/C20H20N4O3S/c1-13(25)23-6-8-24(9-7-23)20(27)14-10-15(28-12-14)11-18-16-4-2-3-5-17(16)19(26)22-21-18/h2-5,10,12H,6-9,11H2,1H3,(H,22,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	124	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Institute of Pharmacology and Toxicology Curated by ChEMBL					Assay Description Inhibition of human PARP1				Bioorg Med Chem Lett 24: 3739-43 (2014) Article DOI: 10.1016/j.bmcl.2014.07.001 BindingDB Entry DOI: 10.7270/Q2125VBB
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