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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 = 'BDBM50267646'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
NAD-dependent protein deacetylase sirtuin-3, mitochondrial


(Homo sapiens (Human))		BDBM50267646
PNG
(CHEMBL4102380)
Show SMILES CC(C)(C)OC(=O)Nc1ccc2OC(C)(C)CC(NC(=O)Nc3cccc(c3)C#N)c2c1
Show InChI InChI=1S/C24H28N4O4/c1-23(2,3)32-22(30)27-17-9-10-20-18(12-17)19(13-24(4,5)31-20)28-21(29)26-16-8-6-7-15(11-16)14-25/h6-12,19H,13H2,1-5H3,(H,27,30)(H2,26,28,29)
PDB

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PC cid
PC sid
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Similars
Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



Laboratoire de Biologie Moléculaire et Cellulaire du Cancer, Hôpital Kirchberg , 9, Rue Edward Steichen, L-2540 Luxembourg, Luxembourg.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged recombinant human SIRT-3 expressed in Escherichia coli using Fluor-de-Lys-SIRT1 as substrate after 15 mins by flu...

J Med Chem 60: 4714-4733 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00533
BindingDB Entry DOI: 10.7270/Q23X894D
More data for this
Ligand-Target Pair