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PubMed code 24992072

Compile data set for download or QSAR
Found 10 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))		BDBM50021513
PNG
(CHEMBL3290218)
Show SMILES CCOC(=O)c1ccc2n(c(nc2c1)-c1ccc(cc1)N(C)C)-c1ccccc1
Show InChI InChI=1S/C24H23N3O2/c1-4-29-24(28)18-12-15-22-21(16-18)25-23(27(22)20-8-6-5-7-9-20)17-10-13-19(14-11-17)26(2)3/h5-16H,4H2,1-3H3
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n/an/a 2.69E+4n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His-tagged SIRT2 (13 to 319 amino acid) after 45 mins by spectrophotometry relative to control

Eur J Med Chem 83: 448-54 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.060
BindingDB Entry DOI: 10.7270/Q20P11MC
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))		BDBM99917
PNG
(4-tert-butyl-N-(4-(5-(dimethylamino)pentanamido)ph...)
Show SMILES CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(cc2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H34N4O2S/c1-25(2,3)19-11-9-18(10-12-19)23(31)28-24(32)27-21-15-13-20(14-16-21)26-22(30)8-6-7-17-29(4)5/h9-16H,6-8,17H2,1-5H3,(H,26,30)(H2,27,28,31,32)/p+1
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n/an/a 2.97E+4n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His-tagged SIRT2 (13 to 319 amino acid) after 45 mins by spectrophotometry relative to control

Eur J Med Chem 83: 448-54 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.060
BindingDB Entry DOI: 10.7270/Q20P11MC
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))		BDBM29040
PNG
(cambinol)
Show SMILES Oc1ccc2ccccc2c1Cc1c([nH]c(=S)[nH]c1=O)-c1ccccc1
Show InChI InChI=1S/C21H16N2O2S/c24-18-11-10-13-6-4-5-9-15(13)16(18)12-17-19(14-7-2-1-3-8-14)22-21(26)23-20(17)25/h1-11,24H,12H2,(H2,22,23,25,26)
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n/an/a 4.59E+4n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His-tagged SIRT2 (13 to 319 amino acid) after 45 mins by spectrophotometry relative to control

Eur J Med Chem 83: 448-54 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.060
BindingDB Entry DOI: 10.7270/Q20P11MC
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))		BDBM29040
PNG
(cambinol)
Show SMILES Oc1ccc2ccccc2c1Cc1c([nH]c(=S)[nH]c1=O)-c1ccccc1
Show InChI InChI=1S/C21H16N2O2S/c24-18-11-10-13-6-4-5-9-15(13)16(18)12-17-19(14-7-2-1-3-8-14)22-21(26)23-20(17)25/h1-11,24H,12H2,(H2,22,23,25,26)
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n/an/a 4.79E+4n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal GST-tagged SIRT1 (193 to 741 amino acid) after 45 mins by spectrophotometry relative to control

Eur J Med Chem 83: 448-54 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.060
BindingDB Entry DOI: 10.7270/Q20P11MC
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))		BDBM50021513
PNG
(CHEMBL3290218)
Show SMILES CCOC(=O)c1ccc2n(c(nc2c1)-c1ccc(cc1)N(C)C)-c1ccccc1
Show InChI InChI=1S/C24H23N3O2/c1-4-29-24(28)18-12-15-22-21(16-18)25-23(27(22)20-8-6-5-7-9-20)17-10-13-19(14-11-17)26(2)3/h5-16H,4H2,1-3H3
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n/an/a 4.91E+4n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal GST-tagged SIRT1 (193 to 741 amino acid) after 45 mins by spectrophotometry relative to control

Eur J Med Chem 83: 448-54 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.060
BindingDB Entry DOI: 10.7270/Q20P11MC
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))		BDBM50021512
PNG
(CHEMBL3290210)
Show SMILES CCOC(=O)c1ccc2n(CCCN3CCCC3=O)c(nc2c1)-c1ccc(cc1)N(C)C
Show InChI InChI=1S/C25H30N4O3/c1-4-32-25(31)19-10-13-22-21(17-19)26-24(18-8-11-20(12-9-18)27(2)3)29(22)16-6-15-28-14-5-7-23(28)30/h8-13,17H,4-7,14-16H2,1-3H3
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n/an/a 5.28E+4n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His-tagged SIRT2 (13 to 319 amino acid) after 45 mins by spectrophotometry relative to control

Eur J Med Chem 83: 448-54 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.060
BindingDB Entry DOI: 10.7270/Q20P11MC
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))		BDBM99917
PNG
(4-tert-butyl-N-(4-(5-(dimethylamino)pentanamido)ph...)
Show SMILES CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(cc2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H34N4O2S/c1-25(2,3)19-11-9-18(10-12-19)23(31)28-24(32)27-21-15-13-20(14-16-21)26-22(30)8-6-7-17-29(4)5/h9-16H,6-8,17H2,1-5H3,(H,26,30)(H2,27,28,31,32)/p+1
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n/an/a 5.81E+4n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal GST-tagged SIRT1 (193 to 741 amino acid) after 45 mins by spectrophotometry relative to control

Eur J Med Chem 83: 448-54 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.060
BindingDB Entry DOI: 10.7270/Q20P11MC
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))		BDBM50021512
PNG
(CHEMBL3290210)
Show SMILES CCOC(=O)c1ccc2n(CCCN3CCCC3=O)c(nc2c1)-c1ccc(cc1)N(C)C
Show InChI InChI=1S/C25H30N4O3/c1-4-32-25(31)19-10-13-22-21(17-19)26-24(18-8-11-20(12-9-18)27(2)3)29(22)16-6-15-28-14-5-7-23(28)30/h8-13,17H,4-7,14-16H2,1-3H3
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n/an/a 6.03E+4n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal GST-tagged SIRT1 (193 to 741 amino acid) after 45 mins by spectrophotometry relative to control

Eur J Med Chem 83: 448-54 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.060
BindingDB Entry DOI: 10.7270/Q20P11MC
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))		BDBM50021528
PNG
(CHEMBL3290220)
Show SMILES CCOC(=O)c1ccc2n(c(nc2c1)-c1ccc(C)cc1)-c1ccccc1
Show InChI InChI=1S/C23H20N2O2/c1-3-27-23(26)18-13-14-21-20(15-18)24-22(17-11-9-16(2)10-12-17)25(21)19-7-5-4-6-8-19/h4-15H,3H2,1-2H3
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n/an/a 6.06E+4n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His-tagged SIRT2 (13 to 319 amino acid) after 45 mins by spectrophotometry relative to control

Eur J Med Chem 83: 448-54 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.060
BindingDB Entry DOI: 10.7270/Q20P11MC
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))		BDBM50021528
PNG
(CHEMBL3290220)
Show SMILES CCOC(=O)c1ccc2n(c(nc2c1)-c1ccc(C)cc1)-c1ccccc1
Show InChI InChI=1S/C23H20N2O2/c1-3-27-23(26)18-13-14-21-20(15-18)24-22(17-11-9-16(2)10-12-17)25(21)19-7-5-4-6-8-19/h4-15H,3H2,1-2H3
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n/an/a 7.99E+4n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal GST-tagged SIRT1 (193 to 741 amino acid) after 45 mins by spectrophotometry relative to control

Eur J Med Chem 83: 448-54 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.060
BindingDB Entry DOI: 10.7270/Q20P11MC
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%