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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'NAD-dependent protein deacetylase sirtuin-1' and Ligand = 'BDBM50178767'   
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-1


(Homo sapiens (Human))
BDBM50178767
PNG
(2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide | CH...)
Show SMILES NC(=O)C1CCCc2c1[nH]c1ccccc21
Show InChI InChI=1S/C13H14N2O/c14-13(16)10-6-3-5-9-8-4-1-2-7-11(8)15-12(9)10/h1-2,4,7,10,15H,3,5-6H2,(H2,14,16)
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Article
PubMed
n/an/a 1.47E+3n/an/an/an/an/an/a



Elixir Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human SIRT1 expressed in Escherichia coli by fluorimetric assay


J Med Chem 48: 8045-54 (2005)


Article DOI: 10.1021/jm050522v
BindingDB Entry DOI: 10.7270/Q27D2TPK
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))
BDBM50178767
PNG
(2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide | CH...)
Show SMILES NC(=O)C1CCCc2c1[nH]c1ccccc21
Show InChI InChI=1S/C13H14N2O/c14-13(16)10-6-3-5-9-8-4-1-2-7-11(8)15-12(9)10/h1-2,4,7,10,15H,3,5-6H2,(H2,14,16)
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Article
PubMed
n/an/a 1.47E+3n/an/an/an/an/an/a



Guru Jambheshwar University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant SIRT1 (unknown origin) assessed as deacetylation activity using acetylated p53 as substrate measured after 2 hrs by Fluor d...


Eur J Med Chem 119: 45-69 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.063
BindingDB Entry DOI: 10.7270/Q2VH5QTW
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))
BDBM50178767
PNG
(2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide | CH...)
Show SMILES NC(=O)C1CCCc2c1[nH]c1ccccc21
Show InChI InChI=1S/C13H14N2O/c14-13(16)10-6-3-5-9-8-4-1-2-7-11(8)15-12(9)10/h1-2,4,7,10,15H,3,5-6H2,(H2,14,16)
PDB

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 3.30E+3n/an/an/an/an/an/a



Elixir Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human SIRT1 by radiochemical Nicotinamide release assay


J Med Chem 48: 8045-54 (2005)


Article DOI: 10.1021/jm050522v
BindingDB Entry DOI: 10.7270/Q27D2TPK
More data for this
Ligand-Target Pair