Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'NAD-dependent protein deacetylase sirtuin-3, mitochondrial' and Ligand = 'BDBM50459845'   

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-3, mitochondrial (Homo sapiens (Human))	BDBM50459845 (CHEMBL4227437) Show SMILES COCCn1cc(COc2cccc(Cc3cnc(NC(=O)CSc4nc(C)cc(C)n4)s3)c2)nn1 Show InChI InChI=1S/C24H27N7O3S2/c1-16-9-17(2)27-24(26-16)35-15-22(32)28-23-25-12-21(36-23)11-18-5-4-6-20(10-18)34-14-19-13-31(30-29-19)7-8-33-3/h4-6,9-10,12-13H,7-8,11,14-15H2,1-3H3,(H,25,28,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+5	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 Sirt3 (118 to 395 residues) expressed in Escherichia coli BL21(DE3) using Z-(Ac)Lys-AMC as substrate mea...				J Med Chem 61: 482-491 (2018) Article DOI: 10.1021/acs.jmedchem.6b01872 BindingDB Entry DOI: 10.7270/Q24B33Z7
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