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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'NAD-Dependent Deacetylase Sirtuin-1' and Ligand = 'BDBM50168833'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (Human))
BDBM50168833
PNG
(CHEMBL3804923)
Show SMILES NC(=O)c1cncc(OCc2cccc(NC(=O)\C=C\c3ccccc3)c2)c1
Show InChI InChI=1S/C22H19N3O3/c23-22(27)18-12-20(14-24-13-18)28-15-17-7-4-8-19(11-17)25-21(26)10-9-16-5-2-1-3-6-16/h1-14H,15H2,(H2,23,27)(H,25,26)/b10-9+
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Similars

Article
PubMed
n/an/a 1.97E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged SIRT1 (1 to 747 residues) expressed in Escherichia coli using Ac-RHK-K(Ac)-AMC as substrate inc...


J Med Chem 59: 2928-41 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01376
BindingDB Entry DOI: 10.7270/Q2Z89F9W
More data for this
Ligand-Target Pair