Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'NAD-dependent protein deacetylase sirtuin-2' and Ligand = 'BDBM50459844'   

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))	BDBM50459844 (CHEMBL4227975) Show SMILES Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3cccc(OCC#C)c3)s2)n1 Show InChI InChI=1S/C21H20N4O2S2/c1-4-8-27-17-7-5-6-16(10-17)11-18-12-22-20(29-18)25-19(26)13-28-21-23-14(2)9-15(3)24-21/h1,5-7,9-10,12H,8,11,13H2,2-3H3,(H,22,25,26)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Freiburg Curated by ChEMBL					Assay Description Inhibition of recombinant human His10-tagged Sirt2 (56 to 356 residues) expressed in Escherichia coli BL21(DE3) using Z-(Ac)Lys-AMC as substrate meas...				J Med Chem 61: 482-491 (2018) Article DOI: 10.1021/acs.jmedchem.6b01872 BindingDB Entry DOI: 10.7270/Q24B33Z7
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