Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM139663'   

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))	BDBM139663 (US8894989, 42) Show SMILES O=c1[nH]nc2[nH]c(CN3CCC(CC3)c3c[nH]c4ccccc34)nc3cccc1c23 Show InChI InChI=1S/C23H22N6O/c30-23-16-5-3-7-19-21(16)22(27-28-23)26-20(25-19)13-29-10-8-14(9-11-29)17-12-24-18-6-2-1-4-15(17)18/h1-7,12,14,24H,8-11,13H2,(H,28,30)(H,25,26,27)	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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