Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50082299'   

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))	BDBM50082299 (CHEMBL3422683) Show SMILES O=c1[nH]nc2[nH]c(nc3cccc1c23)-c1ccc2OCOc2c1 Show InChI InChI=1S/C16H10N4O3/c21-16-9-2-1-3-10-13(9)15(19-20-16)18-14(17-10)8-4-5-11-12(6-8)23-7-22-11/h1-6H,7H2,(H,20,21)(H,17,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of PARP1 (unknown origin)				Bioorg Med Chem Lett 25: 2340-4 (2015) Article DOI: 10.1016/j.bmcl.2015.04.013 BindingDB Entry DOI: 10.7270/Q2N58P2F
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