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 = 'BDBM50535361'   

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))	BDBM50535361 (CHEMBL4466240) Show SMILES CCCCCCCCNC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc(O)c1 |r| Show InChI InChI=1S/C29H42N4O4S/c1-2-3-4-5-6-11-19-30-28(38)31-20-12-10-18-26(27(35)32-24-16-13-17-25(34)21-24)33-29(36)37-22-23-14-8-7-9-15-23/h7-9,13-17,21,26,34H,2-6,10-12,18-20,22H2,1H3,(H,32,35)(H,33,36)(H2,30,31,38)/t26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human SIRT3 assessed as reduction in deacetylase activity using acetylated H3K9 as substrate preincubated for 15 mins followed by subst...				J Med Chem 62: 4131-4141 (2019) Article DOI: 10.1021/acs.jmedchem.9b00191 BindingDB Entry DOI: 10.7270/Q21C21BC
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