Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50276112'   

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 (Rattus norvegicus)	BDBM50276112 (2-[4-(3-Trifluoromethylphenyl)-2,2,5,5-tetramethyl...) Show SMILES CC1(C)NC(C)(C)C(=C1c1nc2c(cccc2[nH]1)C(N)=O)c1cccc(c1)C(F)(F)F |c:7| Show InChI InChI=1S/C23H23F3N4O/c1-21(2)16(12-7-5-8-13(11-12)23(24,25)26)17(22(3,4)30-21)20-28-15-10-6-9-14(19(27)31)18(15)29-20/h5-11,30H,1-4H3,(H2,27,31)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	133	n/a	n/a	n/a	n/a	n/a	n/a
University of Pecs Curated by ChEMBL					Assay Description Inhibition of rat liver PARP1 by scintillation counting				J Med Chem 52: 1619-29 (2009) Article DOI: 10.1021/jm801476y BindingDB Entry DOI: 10.7270/Q29S1QXH
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