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SMILES: NC(=O)c1cccnc1

InChI Key: InChIKey=DFPAKSUCGFBDDF-UHFFFAOYSA-N

PDB links: 70 PDB IDs match this monomer. 1155 PDB IDs contain this monomer as substructures.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 54 hits for monomerid = 27507   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Coagulation factor VII/Tissue factor


(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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PubMed
8.00E+6n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of human soluble tissue factor/factor VIIa expressed in Origami B (DE3) using D-Ile-Pro-Arg-pNA as substrate after 30 mins by spectrophoto...


J Med Chem 58: 2799-808 (2015)


Article DOI: 10.1021/jm501982k
BindingDB Entry DOI: 10.7270/Q28D007C
More data for this
Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial


(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 2.80E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant SIRT5 assessed as inhibition of substrate desuccinylation using Fluor de Lys-Succinyl green peptide as substrate in p...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116328
BindingDB Entry DOI: 10.7270/Q23F4TGR
More data for this
Ligand-Target Pair
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 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 deacetylase sirtuin-2


(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 1.05E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of full length human SIRT2 expressed in Escherichia coli BL21 (DE3) cells using fluorogenic 7-amino-4-methylcoumarin (AMC)-labeled peptide...


J Med Chem 57: 8340-57 (2014)


Article DOI: 10.1021/jm500777s
BindingDB Entry DOI: 10.7270/Q2KK9DDH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
NAD-dependent protein deacetylase sirtuin-1


(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 7.30E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of full length human SIRT1 expressed in Escherichia coli BL21 (DE3) cells using fluorogenic 7-amino-4-methylcoumarin (AMC)-labeled peptide...


J Med Chem 57: 8340-57 (2014)


Article DOI: 10.1021/jm500777s
BindingDB Entry DOI: 10.7270/Q2KK9DDH
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3, mitochondrial


(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 6.20E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of catalytically active human SIRT3 (102 to 399 amino acids) expressed in Escherichia coli BL21 (DE3) cells using fluorogenic 7-amino-4-me...


J Med Chem 57: 8340-57 (2014)


Article DOI: 10.1021/jm500777s
BindingDB Entry DOI: 10.7270/Q2KK9DDH
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(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 1.10E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2


Bioorg Med Chem 23: 328-39 (2015)


Article DOI: 10.1016/j.bmc.2014.11.027
BindingDB Entry DOI: 10.7270/Q2736SJS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
NAD-dependent protein deacetylase sirtuin-2


(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 1.01E+5n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged SIRT2 by histone deacetylase assay


J Med Chem 47: 6292-8 (2004)


Article DOI: 10.1021/jm049933m
BindingDB Entry DOI: 10.7270/Q2S1820Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
NAD-dependent protein deacylase sirtuin-5, mitochondrial


(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>1.00E+5n/an/an/an/an/an/a



Guiyang Medical University

Curated by ChEMBL


Assay Description
Inhibition of human SIRT5 assessed as reduction in desuccinylase activity using KQTAR(SuK)STGGKA substrate


Bioorg Med Chem Lett 25: 1671-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.018
BindingDB Entry DOI: 10.7270/Q2MK6FKB
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(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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PubMed
n/an/a 1.49E+5n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT1 assessed as deacetylation of N-acetyl lysine residue in p53 (317 to 320) after 30 mins by luciferase-mediated l...


Eur J Med Chem 92: 145-55 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.027
BindingDB Entry DOI: 10.7270/Q270834V
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(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 6.30E+3n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 assessed as deacetylation of N-acetyl lysine residue in p53 (317 to 320) after 30 mins by luciferase-mediated l...


Eur J Med Chem 92: 145-55 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.027
BindingDB Entry DOI: 10.7270/Q270834V
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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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)
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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)
Poly [ADP-ribose] polymerase 1


(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 2.10E+5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 25: 2340-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.013
BindingDB Entry DOI: 10.7270/Q2N58P2F
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(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 5.20E+5n/an/an/an/an/an/a



University of Akron

Curated by ChEMBL


Assay Description
Inhibition of human SIRT1


Bioorg Med Chem Lett 16: 3651-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.075
BindingDB Entry DOI: 10.7270/Q2WH2PMZ
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(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 3.23E+4n/an/an/an/an/an/a



Albert-Ludwigs-Universität Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2


J Med Chem 49: 7307-16 (2006)


Article DOI: 10.1021/jm060118b
BindingDB Entry DOI: 10.7270/Q2TQ616P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase 1


(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 2.10E+5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 25: 4557-61 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.060
BindingDB Entry DOI: 10.7270/Q2KD20Q6
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(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 5.00E+4n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human SIRT1 using MPSDKTIGG as substrate by liquid scintillation counting analysis in presence of [3H]-acetic acid


J Med Chem 59: 1599-612 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01517
BindingDB Entry DOI: 10.7270/Q2HX1FH2
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(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 1.20E+3n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human SIRT2 using MPSDKTIGG as substrate by liquid scintillation counting analysis in presence of [3H]-acetic ac...


J Med Chem 59: 1599-612 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01517
BindingDB Entry DOI: 10.7270/Q2HX1FH2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
NAD-dependent protein deacetylase sirtuin-1


(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 1.00E+5n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT1 after 60 mins by fluorimetric analysis


Bioorg Med Chem Lett 19: 5670-2 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.028
BindingDB Entry DOI: 10.7270/Q2WH2Q1R
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(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 1.10E+4n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 after 60 mins by fluorimetric analysis


Bioorg Med Chem Lett 19: 5670-2 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.028
BindingDB Entry DOI: 10.7270/Q2WH2Q1R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
NAD-dependent protein deacetylase sirtuin-3, mitochondrial


(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 1.40E+4n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT3 after 60 mins by fluorimetric analysis


Bioorg Med Chem Lett 19: 5670-2 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.028
BindingDB Entry DOI: 10.7270/Q2WH2Q1R
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(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 2.10E+5n/an/an/an/an/an/a



Johns Hopkins University Brain Science Institute

Curated by ChEMBL


Assay Description
Inhibition of PARP1


J Med Chem 53: 4561-84 (2010)


Article DOI: 10.1021/jm100012m
BindingDB Entry DOI: 10.7270/Q2NV9JF0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(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 2.10E+5n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Poly (ADP-ribose) polymerase 1


J Med Chem 46: 3138-51 (2003)


Article DOI: 10.1021/jm030109s
BindingDB Entry DOI: 10.7270/Q2Z89D5P
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(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<5.00E+4n/an/an/an/an/an/a



Guru Jambheshwar University of Science and Technology

Curated by ChEMBL


Assay Description
Non-competitive inhibition of recombinant human SIRT1 using acetylated histone as substrate measured after 30 mins by fluorimetric analysis


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 histone deacetylase SIR2


(Saccharomyces cerevisiae)
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<5.00E+4n/an/an/an/an/an/a



Guru Jambheshwar University of Science and Technology

Curated by ChEMBL


Assay Description
Non-competitive inhibition of recombinant yeast glutathione-S-transferase-tagged SIRT2 using acetylated histone as substrate measured after 30 mins b...


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
3D
3D Structure (crystal)
NAD-dependent protein deacetylase sirtuin-2


(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 3.23E+4n/an/an/an/an/an/a



Albert-Ludwigs-Universit£t Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Sirt2 expressed in Escherichia coli BL21 by fluorescent deacetylase assay


J Med Chem 51: 1203-13 (2008)


Article DOI: 10.1021/jm700972e
BindingDB Entry DOI: 10.7270/Q22N534Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase 1


(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 2.10E+5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 23: 1993-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.032
BindingDB Entry DOI: 10.7270/Q2736S9N
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase


(Leishmania infantum)
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 3.94E+4n/an/an/an/an/an/a



Jiangsu University

Curated by ChEMBL


Assay Description
Inhibition of Leishmania infantum SIR2RP1


Eur J Med Chem 59: 132-40 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.014
BindingDB Entry DOI: 10.7270/Q2CF9RDD
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(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 9.04E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged SIRT1 coding region (156-664) (unknown origin) expressed in Escherichia coli BL21(DE3) using 31.25 uM ac-RHKKac-...


Eur J Med Chem 60: 441-50 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.026
BindingDB Entry DOI: 10.7270/Q2WW7K0B
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(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 2.50E+5n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of human full length SIRT1 expressed in DE3 cells by fluorimetric assay


Bioorg Med Chem 17: 7031-41 (2009)


Article DOI: 10.1016/j.bmc.2009.07.073
BindingDB Entry DOI: 10.7270/Q21V5FWG
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase HST2


(Saccharomyces cerevisiae)
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 9.10E+4n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of yeast Hst2 by fluorimetric assay


Bioorg Med Chem 17: 7031-41 (2009)


Article DOI: 10.1016/j.bmc.2009.07.073
BindingDB Entry DOI: 10.7270/Q21V5FWG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
NAD-dependent protein deacetylase sirtuin-1


(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 5.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant SIRT1 using ZMAL substrate after 4 hrs by homogeneous fluorescence assay


ACS Med Chem Lett 3: 1050-1053 (2012)


Article DOI: 10.1021/ml3002709
BindingDB Entry DOI: 10.7270/Q29C6ZKP
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(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 1.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant SIRT2 using ZMAL substrate after 4 hrs by homogeneous fluorescence assay


ACS Med Chem Lett 3: 1050-1053 (2012)


Article DOI: 10.1021/ml3002709
BindingDB Entry DOI: 10.7270/Q29C6ZKP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
NAD-dependent protein deacylase sirtuin-5, mitochondrial


(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 4.66E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of SIRT5 using ZK(suc)A substrate after 1 hr by homogeneous fluorescence assay


ACS Med Chem Lett 3: 1050-1053 (2012)


Article DOI: 10.1021/ml3002709
BindingDB Entry DOI: 10.7270/Q29C6ZKP
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3, mitochondrial


(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 3.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant SIRT3 using ZMAL substrate after 4 hrs by homogeneous fluorescence assay


ACS Med Chem Lett 3: 1050-1053 (2012)


Article DOI: 10.1021/ml3002709
BindingDB Entry DOI: 10.7270/Q29C6ZKP
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3, mitochondrial


(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 3.77E+5n/an/an/an/an/an/a



Universit£ degli Studi del Piemonte Orientale A. Avogadro

Curated by ChEMBL


Assay Description
Inhibition of human SIRT3 expressed in Escherichia coli using Z-MAL as substrate after 6 hrs by fluorescence assay


Eur J Med Chem 55: 58-66 (2012)


Article DOI: 10.1016/j.ejmech.2012.07.001
BindingDB Entry DOI: 10.7270/Q20K29NG
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(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 8.80E+4n/an/an/an/an/an/a



Dipartimento di Chimica e Tecnologie del Farmaco "Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human SIRT1


J Med Chem 60: 4780-4804 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01595
BindingDB Entry DOI: 10.7270/Q2JD50D0
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase


(Leishmania infantum)
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 4.00E+4n/an/an/an/an/an/a



Dipartimento di Chimica e Tecnologie del Farmaco "Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged recombinant Leishmania infantum SIR2RP1 expressed in Escherichia coli in presence of NAD+ by fluorimetric method


J Med Chem 60: 4780-4804 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01595
BindingDB Entry DOI: 10.7270/Q2JD50D0
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(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 1.18E+5n/an/an/an/an/an/a



Dipartimento di Chimica e Tecnologie del Farmaco "Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human SIRT1 in presence of NAD+ by fluorimetric method


J Med Chem 60: 4780-4804 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01595
BindingDB Entry DOI: 10.7270/Q2JD50D0
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase


(Schistosoma mansoni)
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 2.31E+4n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of recombinant Schistosoma mansoni sirtuin 2 (21 to 322 residues) expressed in Escherichia coli BL21(DE3) cells assessed as inhibition of ...


J Med Chem 62: 8733-8759 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00638
BindingDB Entry DOI: 10.7270/Q25142HK
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(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 4.98E+4n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human sirtuin 2 assessed as inhibition of substrate deacetylation using ZMAL as substrate


J Med Chem 62: 8733-8759 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00638
BindingDB Entry DOI: 10.7270/Q25142HK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
NAD-dependent protein deacetylase sirtuin-2


(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 3.80E+4n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human SIRT2 deacylation activity using Fluor de Lys Sirt2 as substrate measured at 5 mins interval for 30 mins in presence ...


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 deacetylase sirtuin-1


(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 3.30E+4n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged SIRT1 (Met1 to Ser747 residues) defatty-acylase activity expressed in Escherichia coli using S...


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
NAD-dependent protein deacetylase sirtuin-3, mitochondrial


(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 1.00E+4n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human SIRT3 (118 to 399 residues) defatty-acylase activity expressed in Escherichia coli using SFP3 as substrate measured a...


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
NAD-dependent protein deacetylase sirtuin-2


(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 1.10E+4n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human SIRT2 defatty-acylase activity using SFP3 as substrate measured at 5 mins interval for 60 mins in presence of NAD+ by...


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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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 deacetylase sirtuin-2


(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 2.00E+4n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human SIRT2 demyristoylase activity using p53(Myr)-AMC as substrate measured after 3 hrs in presence of NAD+ and trypsin by...


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 deacetylase


(Schistosoma mansoni)
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 4.20E+5n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of recombinant Schistosoma mansoni sirtuin 2 (21 to 322 residues) expressed in Escherichia coli BL21(DE3) cells assessed as inhibition of ...


J Med Chem 62: 8733-8759 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00638
BindingDB Entry DOI: 10.7270/Q25142HK
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3, mitochondrial


(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 7.60E+4n/an/an/an/an/an/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
More data for this
Ligand-Target Pair
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