Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50276947'   

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)	BDBM50276947 (2-(1-Methoxy-2,2,5,5-pentamethyl-2,5-dihydro-1H-py...) Show SMILES CON1C(C)(C)C=C(c2nc3c(cccc3[nH]2)C(N)=O)C1(C)C |t:6| Show InChI InChI=1S/C17H22N4O2/c1-16(2)9-11(17(3,4)21(16)23-5)15-19-12-8-6-7-10(14(18)22)13(12)20-15/h6-9H,1-5H3,(H2,18,22)(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	61	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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