Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM27139'   

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))	BDBM27139 (2-(3-methylpyrrolidin-3-yl)-1H-1,3-benzodiazole-4-...) Show SMILES CC1(CCNC1)c1nc2cccc(C(N)=O)c2[nH]1 Show InChI InChI=1S/C13H16N4O/c1-13(5-6-15-7-13)12-16-9-4-2-3-8(11(14)18)10(9)17-12/h2-4,15H,5-7H2,1H3,(H2,14,18)(H,16,17)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4	-47.5	n/a	n/a	n/a	n/a	n/a	8.0	22
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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