Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50341872'   

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))	BDBM50341872 (5-(2,2-Dimethylpropanamido)isoquinolin-1-one | CHE...) Show SMILES CC(C)(C)C(=O)Nc1cccc2c1cc[nH]c2=O Show InChI InChI=1S/C14H16N2O2/c1-14(2,3)13(18)16-11-6-4-5-10-9(11)7-8-15-12(10)17/h4-8H,1-3H3,(H,15,17)(H,16,18)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of full length human PARP-1 after 10 mins by FlashPlate scintillation proximity assay				J Med Chem 54: 2049-59 (2011) Article DOI: 10.1021/jm1010918 BindingDB Entry DOI: 10.7270/Q24B31NC
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