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Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with Target = 'NAD-dependent protein deacylase sirtuin-6' and Ligand = 'BDBM27507'   
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 deacylase sirtuin-6


(Homo sapiens (Human))
BDBM27507
PNG
(3-Pyridinecarboxamide | CHEMBL1140 | NAM | niacina...)
Show SMILES NC(=O)c1cccnc1
Show InChI InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)
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n/an/a 4.50E+4n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at adrenergic Alpha-1B receptor in guinea pig spleen


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
NAD-dependent protein deacylase sirtuin-6


(Homo sapiens (Human))
BDBM27507
PNG
(3-Pyridinecarboxamide | CHEMBL1140 | NAM | niacina...)
Show SMILES NC(=O)c1cccnc1
Show InChI InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)
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PDB
n/an/a 1.20E+5n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at adrenergic Alpha-1B receptor in guinea pig spleen


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
NAD-dependent protein deacylase sirtuin-6


(Homo sapiens (Human))
BDBM27507
PNG
(3-Pyridinecarboxamide | CHEMBL1140 | NAM | niacina...)
Show SMILES NC(=O)c1cccnc1
Show InChI InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)
PDB

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Article
PubMed
n/an/a 1.20E+5n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal polyhis-tagged SIRT6 (1 to 355 residues) defatty-acylase activity expressed in Escherichia coli using SFP3...


J Med Chem 62: 5434-5452 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00315
BindingDB Entry DOI: 10.7270/Q2HH6P91
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
NAD-dependent protein deacylase sirtuin-6


(Homo sapiens (Human))
BDBM27507
PNG
(3-Pyridinecarboxamide | CHEMBL1140 | NAM | niacina...)
Show SMILES NC(=O)c1cccnc1
Show InChI InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)
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PDB
n/an/a 1.50E+5n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at adrenergic Alpha-1B receptor in guinea pig spleen


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
NAD-dependent protein deacylase sirtuin-6


(Homo sapiens (Human))
BDBM27507
PNG
(3-Pyridinecarboxamide | CHEMBL1140 | NAM | niacina...)
Show SMILES NC(=O)c1cccnc1
Show InChI InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)
PDB

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n/an/a 1.53E+5n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at adrenergic alpha1A receptor in rat tail artery


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
NAD-dependent protein deacylase sirtuin-6


(Homo sapiens (Human))
BDBM27507
PNG
(3-Pyridinecarboxamide | CHEMBL1140 | NAM | niacina...)
Show SMILES NC(=O)c1cccnc1
Show InChI InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)
PDB

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PDB
n/an/a 1.84E+5n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at adrenergic alpha1A receptor in rat tail artery


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
NAD-dependent protein deacylase sirtuin-6


(Homo sapiens (Human))
BDBM27507
PNG
(3-Pyridinecarboxamide | CHEMBL1140 | NAM | niacina...)
Show SMILES NC(=O)c1cccnc1
Show InChI InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
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PC sid
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Article
PubMed
n/an/a 1.84E+5n/an/an/an/an/an/a



Guiyang Medical University

Curated by ChEMBL


Assay Description
Inhibition of SIRT6 (unknown origin) using AMC containing peptide substructure by fluorogenic assay


Eur J Med Chem 96: 245-9 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.008
BindingDB Entry DOI: 10.7270/Q2FT8NRP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
NAD-dependent protein deacylase sirtuin-6


(Homo sapiens (Human))
BDBM27507
PNG
(3-Pyridinecarboxamide | CHEMBL1140 | NAM | niacina...)
Show SMILES NC(=O)c1cccnc1
Show InChI InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)
PDB

UniProtKB/SwissProt

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CHEMBL
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PDB
n/an/a 1.84E+5n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at adrenergic Alpha-1B receptor in guinea pig spleen


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
NAD-dependent protein deacylase sirtuin-6


(Homo sapiens (Human))
BDBM27507
PNG
(3-Pyridinecarboxamide | CHEMBL1140 | NAM | niacina...)
Show SMILES NC(=O)c1cccnc1
Show InChI InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
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PC cid
PC sid
PDB
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PDB
Article
PubMed
n/an/a 1.89E+5n/an/an/an/an/an/a



University at Albany



Assay Description
Inhibitory constants (Ki) and IC50 values were determined under saturating substrate conditions by using a fluorimetric assay (components were purcha...


Chembiochem 18: 931-940 (2017)


Article DOI: 10.1002/cbic.201600655
BindingDB Entry DOI: 10.7270/Q2CJ8CC2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
NAD-dependent protein deacylase sirtuin-6


(Homo sapiens (Human))
BDBM27507
PNG
(3-Pyridinecarboxamide | CHEMBL1140 | NAM | niacina...)
Show SMILES NC(=O)c1cccnc1
Show InChI InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
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MCE
KEGG
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PC sid
PDB
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PDB
Article
PubMed
n/an/a 2.00E+5n/an/an/an/an/an/a



Guiyang Medical University

Curated by ChEMBL


Assay Description
Inhibition of SIRT6 (unknown origin) using (DABCYL)ISGASE(MyK)DIVHSE(EDANS)G substrate in presence of NAD followed by 1 hr incubation with trypsin by...


Eur J Med Chem 96: 245-9 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.008
BindingDB Entry DOI: 10.7270/Q2FT8NRP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)