Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM139651'   

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))	BDBM139651 (US8894989, 30) Show SMILES O=c1[nH]nc2[nH]c(CN3CCN(CC3)c3ccccn3)nc3cccc1c23 Show InChI InChI=1S/C19H19N7O/c27-19-13-4-3-5-14-17(13)18(23-24-19)22-15(21-14)12-25-8-10-26(11-9-25)16-6-1-2-7-20-16/h1-7H,8-12H2,(H,24,27)(H,21,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	8.0	n/a
Eisai Inc. US Patent					Assay Description A convenient method to determine IC50 of a PARP inhibitor compound is a PARP assay using purified recombinant human PARP from Trevigan (Gaithersburg,...				US Patent US8894989 (2014) BindingDB Entry DOI: 10.7270/Q21J98GF
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