Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM27163'   

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))	BDBM27163 (2-(1-cyclopentyl-4-methylazepan-4-yl)-1H-1,3-benzo...) Show SMILES CC1(CCCN(CC1)C1CCCC1)c1nc2cccc(C(N)=O)c2[nH]1 Show InChI InChI=1S/C20H28N4O/c1-20(10-5-12-24(13-11-20)14-6-2-3-7-14)19-22-16-9-4-8-15(18(21)25)17(16)23-19/h4,8-9,14H,2-3,5-7,10-13H2,1H3,(H2,21,25)(H,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...				J Med Chem 52: 514-23 (2009) Article DOI: 10.1021/jm801171j BindingDB Entry DOI: 10.7270/Q2DN43CK
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