Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50151030'   

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))	BDBM50151030 (2-{3-[4-(4-Trifluoromethyl-phenyl)-3,6-dihydro-2H-...) Show SMILES FC(F)(F)c1ccc(cc1)C1=CCN(CCCc2nc3ccccc3c(=O)[nH]2)CC1 |t:11| Show InChI InChI=1S/C23H22F3N3O/c24-23(25,26)18-9-7-16(8-10-18)17-11-14-29(15-12-17)13-3-6-21-27-20-5-2-1-4-19(20)22(30)28-21/h1-2,4-5,7-11H,3,6,12-15H2,(H,27,28,30)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human recombinant Poly (ADP-ribose) polymerase 1				J Med Chem 47: 4151-4 (2004) Article DOI: 10.1021/jm0499256 BindingDB Entry DOI: 10.7270/Q21G0KQ6
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