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 = 'BDBM50535356'   

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))	BDBM50535356 (CHEMBL4437014) Show SMILES CCCCCCCCCCNC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1 |r| Show InChI InChI=1S/C31H46N4O3S/c1-2-3-4-5-6-7-8-16-23-32-30(39)33-24-17-15-22-28(29(36)34-27-20-13-10-14-21-27)35-31(37)38-25-26-18-11-9-12-19-26/h9-14,18-21,28H,2-8,15-17,22-25H2,1H3,(H,34,36)(H,35,37)(H2,32,33,39)/t28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+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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