Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase tankyrase-1' and Ligand = 'BDBM50497559'   

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 tankyrase-1 (Homo sapiens (Human))	BDBM50497559 (CHEMBL3344072) Show SMILES CC(C)(C)c1ccc(cc1)-c1nc2c3ccccc3sc2c(=O)[nH]1 Show InChI InChI=1S/C20H18N2OS/c1-20(2,3)13-10-8-12(9-11-13)18-21-16-14-6-4-5-7-15(14)24-17(16)19(23)22-18/h4-11H,1-3H3,(H,21,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Inhibition of GST-tagged human recombinant TNKS1 incubated for 1 hr using NAD+, biotinylated NAD+ and activated DNA by luminescence based assay				Eur J Med Chem 87: 611-23 (2014) Article DOI: 10.1016/j.ejmech.2014.10.007 BindingDB Entry DOI: 10.7270/Q2KW5K17
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