Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'NAD-dependent protein deacetylase sirtuin-2' and Ligand = 'BDBM50156773'   

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
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50156773 (2-(2-oxo-2-(4-(2-(trifluoromethyl)quinolin-4-yl)pi...) Show SMILES OC(=O)CSCC(=O)N1CCN(CC1)c1cc(nc2ccccc12)C(F)(F)F Show InChI InChI=1S/C18H18F3N3O3S/c19-18(20,21)15-9-14(12-3-1-2-4-13(12)22-15)23-5-7-24(8-6-23)16(25)10-28-11-17(26)27/h1-4,9H,5-8,10-11H2,(H,26,27)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-tagged SIRT2 by histone deacetylase assay				J Med Chem 47: 6292-8 (2004) Article DOI: 10.1021/jm049933m BindingDB Entry DOI: 10.7270/Q2S1820Z
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