Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50120705'   

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))	BDBM50120705 (2-(3,5-Bis-trifluoromethyl-phenyl)-1,3,4,5-tetrahy...) Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)-c1[nH]c2cccc3C(=O)NCCc1c23 Show InChI InChI=1S/C19H12F6N2O/c20-18(21,22)10-6-9(7-11(8-10)19(23,24)25)16-12-4-5-26-17(28)13-2-1-3-14(27-16)15(12)13/h1-3,6-8,27H,4-5H2,(H,26,28)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibitory activity towards human poly(ADP-ribose) polymerase 1 (PARP-1).				J Med Chem 45: 4961-74 (2002) BindingDB Entry DOI: 10.7270/Q2T152ZP
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