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Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'NAD-dependent protein deacetylase sirtuin-3, mitochondrial' 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 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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Article
PubMed
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-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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Article
PubMed
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-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)
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
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UniChem

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Article
PubMed
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
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)
PDB

UniProtKB/SwissProt

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CHEMBL
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MCE
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PC sid
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UniChem

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Article
PubMed
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)
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
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PC sid
PDB
UniChem

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Article
PubMed
n/an/a 3.60E+4n/an/an/an/an/an/a



UMR CNRS 7285

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sirtuin 3 using fluoro-lysine sirtuin 2 deacetylase substrate measured after 45 mins by fluorimetry assay


ACS Med Chem Lett 10: 863-868 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00440
BindingDB Entry DOI: 10.7270/Q23J3HDS
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)
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
DrugBank
MCE
KEGG
MMDB
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PC sid
PDB
UniChem

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Article
PubMed
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
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)
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
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