Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50276151'   

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)	BDBM50276151 (2-[4-(2,2,5,5-Tetramethyl-2,5-dihydro-1H-pyrrol-3-...) Show SMILES CC1(C)NC(C)(C)C(COc2ccc(cc2)-c2nc3c(cccc3[nH]2)C(N)=O)=C1 |c:30| Show InChI InChI=1S/C23H26N4O2/c1-22(2)12-15(23(3,4)27-22)13-29-16-10-8-14(9-11-16)21-25-18-7-5-6-17(20(24)28)19(18)26-21/h5-12,27H,13H2,1-4H3,(H2,24,28)(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	572	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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