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PubMed code 28240897

Compile data set for download or QSAR
Found 12 hits of Enzyme Inhibition Constant Data   
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-2


(Homo sapiens (Human))
BDBM50236570
PNG
(CHEMBL4072206)
Show SMILES BrCCCc1nc(no1)-c1ccc(Br)cc1
Show InChI InChI=1S/C11H10Br2N2O/c12-7-1-2-10-14-11(15-16-10)8-3-5-9(13)6-4-8/h3-6H,1-2,7H2
PDB
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PC sid
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Article
PubMed
2.18E+3n/an/an/an/an/an/an/an/a



University of Bayreuth

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of human N-terminal His6-SUMO-tagged SIRT2 catalytic domain (43 to 356 residues) deacetylase activity expressed in Escherich...


J Med Chem 60: 2344-2360 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01609
BindingDB Entry DOI: 10.7270/Q2J968NS
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50236570
PNG
(CHEMBL4072206)
Show SMILES BrCCCc1nc(no1)-c1ccc(Br)cc1
Show InChI InChI=1S/C11H10Br2N2O/c12-7-1-2-10-14-11(15-16-10)8-3-5-9(13)6-4-8/h3-6H,1-2,7H2
PDB
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Article
PubMed
2.22E+3n/an/an/an/an/an/an/an/a



University of Bayreuth

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of human N-terminal His6-SUMO-tagged SIRT2 catalytic domain (43 to 356 residues) deacetylase activity expressed in Escherich...


J Med Chem 60: 2344-2360 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01609
BindingDB Entry DOI: 10.7270/Q2J968NS
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50236570
PNG
(CHEMBL4072206)
Show SMILES BrCCCc1nc(no1)-c1ccc(Br)cc1
Show InChI InChI=1S/C11H10Br2N2O/c12-7-1-2-10-14-11(15-16-10)8-3-5-9(13)6-4-8/h3-6H,1-2,7H2
PDB
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Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



University of Bayreuth

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-SUMO-tagged SIRT2 catalytic domain (43 to 356 residues) deacetylase activity expressed in Escherichia coli using ...


J Med Chem 60: 2344-2360 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01609
BindingDB Entry DOI: 10.7270/Q2J968NS
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50236566
PNG
(CHEMBL4088480)
Show SMILES Clc1ccc(cc1)-c1noc(CCCBr)n1
Show InChI InChI=1S/C11H10BrClN2O/c12-7-1-2-10-14-11(15-16-10)8-3-5-9(13)6-4-8/h3-6H,1-2,7H2
PDB
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n/an/a 2.50E+3n/an/an/an/an/an/a



University of Bayreuth

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-SUMO-tagged SIRT2 catalytic domain (43 to 356 residues) deacetylase activity expressed in Escherichia coli using ...


J Med Chem 60: 2344-2360 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01609
BindingDB Entry DOI: 10.7270/Q2J968NS
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50236564
PNG
(CHEMBL4104964)
Show SMILES BrCCCCc1nc(no1)-c1ccc(Br)cc1
Show InChI InChI=1S/C12H12Br2N2O/c13-8-2-1-3-11-15-12(16-17-11)9-4-6-10(14)7-5-9/h4-7H,1-3,8H2
PDB
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KEGG

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UniChem
Article
PubMed
n/an/a 2.60E+3n/an/an/an/an/an/a



University of Bayreuth

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-SUMO-tagged SIRT2 catalytic domain (43 to 356 residues) deacetylase activity expressed in Escherichia coli using ...


J Med Chem 60: 2344-2360 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01609
BindingDB Entry DOI: 10.7270/Q2J968NS
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50236563
PNG
(CHEMBL4099169)
Show SMILES ClCCCc1nc(no1)-c1ccc(Br)cc1
Show InChI InChI=1S/C11H10BrClN2O/c12-9-5-3-8(4-6-9)11-14-10(16-15-11)2-1-7-13/h3-6H,1-2,7H2
PDB
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n/an/a 3.60E+3n/an/an/an/an/an/a



University of Bayreuth

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-SUMO-tagged SIRT2 catalytic domain (43 to 356 residues) deacetylase activity expressed in Escherichia coli using ...


J Med Chem 60: 2344-2360 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01609
BindingDB Entry DOI: 10.7270/Q2J968NS
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50236568
PNG
(CHEMBL4103565)
Show SMILES FC(F)(F)c1ccc(cc1)-c1noc(CCCBr)n1
Show InChI InChI=1S/C12H10BrF3N2O/c13-7-1-2-10-17-11(18-19-10)8-3-5-9(6-4-8)12(14,15)16/h3-6H,1-2,7H2
PDB
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Article
PubMed
n/an/a 3.90E+3n/an/an/an/an/an/a



University of Bayreuth

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-SUMO-tagged SIRT2 catalytic domain (43 to 356 residues) deacetylase activity expressed in Escherichia coli using ...


J Med Chem 60: 2344-2360 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01609
BindingDB Entry DOI: 10.7270/Q2J968NS
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50236569
PNG
(CHEMBL4078389)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1noc(CCCBr)n1
Show InChI InChI=1S/C11H10BrN3O3/c12-7-1-2-10-13-11(14-18-10)8-3-5-9(6-4-8)15(16)17/h3-6H,1-2,7H2
PDB
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KEGG

UniProtKB/SwissProt

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UniChem
Article
PubMed
n/an/a 6.60E+3n/an/an/an/an/an/a



University of Bayreuth

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-SUMO-tagged SIRT2 catalytic domain (43 to 356 residues) deacetylase activity expressed in Escherichia coli using ...


J Med Chem 60: 2344-2360 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01609
BindingDB Entry DOI: 10.7270/Q2J968NS
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50236567
PNG
(CHEMBL4068993)
Show SMILES COc1ccc(cc1)-c1noc(CCCBr)n1
Show InChI InChI=1S/C12H13BrN2O2/c1-16-10-6-4-9(5-7-10)12-14-11(17-15-12)3-2-8-13/h4-7H,2-3,8H2,1H3
PDB
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UniProtKB/SwissProt

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Article
PubMed
n/an/a 1.04E+4n/an/an/an/an/an/a



University of Bayreuth

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-SUMO-tagged SIRT2 catalytic domain (43 to 356 residues) deacetylase activity expressed in Escherichia coli using ...


J Med Chem 60: 2344-2360 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01609
BindingDB Entry DOI: 10.7270/Q2J968NS
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50236571
PNG
(CHEMBL4076175)
Show SMILES Fc1ccc(cc1)-c1noc(CCCBr)n1
Show InChI InChI=1S/C11H10BrFN2O/c12-7-1-2-10-14-11(15-16-10)8-3-5-9(13)6-4-8/h3-6H,1-2,7H2
PDB
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KEGG

UniProtKB/SwissProt

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UniChem

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Article
PubMed
n/an/a 1.98E+4n/an/an/an/an/an/a



University of Bayreuth

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-SUMO-tagged SIRT2 catalytic domain (43 to 356 residues) deacetylase activity expressed in Escherichia coli using ...


J Med Chem 60: 2344-2360 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01609
BindingDB Entry DOI: 10.7270/Q2J968NS
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50236565
PNG
(CHEMBL4090249)
Show SMILES CC(=O)OCCCc1nc(no1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C13H13ClN2O3/c1-9(17)18-8-2-3-12-15-13(16-19-12)10-4-6-11(14)7-5-10/h4-7H,2-3,8H2,1H3
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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CHEMBL
PC cid
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UniChem
Article
PubMed
n/an/a 2.12E+4n/an/an/an/an/an/a



University of Bayreuth

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-SUMO-tagged SIRT2 catalytic domain (43 to 356 residues) deacetylase activity expressed in Escherichia coli using ...


J Med Chem 60: 2344-2360 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01609
BindingDB Entry DOI: 10.7270/Q2J968NS
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50236572
PNG
(CHEMBL4062236)
Show SMILES OCCCc1nc(no1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C11H11ClN2O2/c12-9-5-3-8(4-6-9)11-13-10(16-14-11)2-1-7-15/h3-6,15H,1-2,7H2
PDB
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PubMed
n/an/a 4.12E+4n/an/an/an/an/an/a



University of Bayreuth

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-SUMO-tagged SIRT2 catalytic domain (43 to 356 residues) deacetylase activity expressed in Escherichia coli using ...


J Med Chem 60: 2344-2360 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01609
BindingDB Entry DOI: 10.7270/Q2J968NS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%