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PubMed code 24785705

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 deacylase sirtuin-6


(Homo sapiens (Human))		BDBM50017342
PNG
(CHEMBL1588664)
Show SMILES OC(=O)c1cc(NC(=O)c2cccc(NC(=O)c3ccco3)c2)ccc1O
Show InChI InChI=1S/C19H14N2O6/c22-15-7-6-13(10-14(15)19(25)26)20-17(23)11-3-1-4-12(9-11)21-18(24)16-5-2-8-27-16/h1-10,22H,(H,20,23)(H,21,24)(H,25,26)
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n/an/a 8.90E+4n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of SIRT6 (unknown origin)

J Med Chem 57: 4796-804 (2014)


Article DOI: 10.1021/jm500487d
BindingDB Entry DOI: 10.7270/Q2377B8B
More data for this
Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-6


(Homo sapiens (Human))		BDBM50017341
PNG
(CHEMBL3288034)
Show SMILES O=c1[nH]c2ccc(cc2c(=O)[nH]1)S(=O)(=O)Nc1ccc(Oc2cccnc2)cc1
Show InChI InChI=1S/C19H14N4O5S/c24-18-16-10-15(7-8-17(16)21-19(25)22-18)29(26,27)23-12-3-5-13(6-4-12)28-14-2-1-9-20-11-14/h1-11,23H,(H2,21,22,24,25)
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n/an/a 1.06E+5n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of SIRT6 (unknown origin)

J Med Chem 57: 4796-804 (2014)


Article DOI: 10.1021/jm500487d
BindingDB Entry DOI: 10.7270/Q2377B8B
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))		BDBM50017341
PNG
(CHEMBL3288034)
Show SMILES O=c1[nH]c2ccc(cc2c(=O)[nH]1)S(=O)(=O)Nc1ccc(Oc2cccnc2)cc1
Show InChI InChI=1S/C19H14N4O5S/c24-18-16-10-15(7-8-17(16)21-19(25)22-18)29(26,27)23-12-3-5-13(6-4-12)28-14-2-1-9-20-11-14/h1-11,23H,(H2,21,22,24,25)
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n/an/a 1.14E+5n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of SIRT2 (unknown origin)

J Med Chem 57: 4796-804 (2014)


Article DOI: 10.1021/jm500487d
BindingDB Entry DOI: 10.7270/Q2377B8B
More data for this
Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-6


(Homo sapiens (Human))		BDBM50017344
PNG
(CHEMBL3288044)
Show SMILES OC(=O)c1ccc(cc1)N1C(=O)CC(SC(=N)Nc2ccccc2)C1=O
Show InChI InChI=1S/C18H15N3O4S/c19-18(20-12-4-2-1-3-5-12)26-14-10-15(22)21(16(14)23)13-8-6-11(7-9-13)17(24)25/h1-9,14H,10H2,(H2,19,20)(H,24,25)
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n/an/a 1.81E+5n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of SIRT6 (unknown origin)

J Med Chem 57: 4796-804 (2014)


Article DOI: 10.1021/jm500487d
BindingDB Entry DOI: 10.7270/Q2377B8B
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))		BDBM50017341
PNG
(CHEMBL3288034)
Show SMILES O=c1[nH]c2ccc(cc2c(=O)[nH]1)S(=O)(=O)Nc1ccc(Oc2cccnc2)cc1
Show InChI InChI=1S/C19H14N4O5S/c24-18-16-10-15(7-8-17(16)21-19(25)22-18)29(26,27)23-12-3-5-13(6-4-12)28-14-2-1-9-20-11-14/h1-11,23H,(H2,21,22,24,25)
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n/an/a 3.14E+5n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of SIRT1 (unknown origin)

J Med Chem 57: 4796-804 (2014)


Article DOI: 10.1021/jm500487d
BindingDB Entry DOI: 10.7270/Q2377B8B
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))		BDBM50017342
PNG
(CHEMBL1588664)
Show SMILES OC(=O)c1cc(NC(=O)c2cccc(NC(=O)c3ccco3)c2)ccc1O
Show InChI InChI=1S/C19H14N2O6/c22-15-7-6-13(10-14(15)19(25)26)20-17(23)11-3-1-4-12(9-11)21-18(24)16-5-2-8-27-16/h1-10,22H,(H,20,23)(H,21,24)(H,25,26)
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n/an/a 7.51E+5n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of SIRT2 (unknown origin)

J Med Chem 57: 4796-804 (2014)


Article DOI: 10.1021/jm500487d
BindingDB Entry DOI: 10.7270/Q2377B8B
More data for this
Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-6


(Homo sapiens (Human))		BDBM50017343
PNG
(CHEMBL3288043)
Show SMILES O=C(NCc1nc(n[nH]1)-c1cccnc1)c1cnccn1
Show InChI InChI=1S/C13H11N7O/c21-13(10-7-15-4-5-16-10)17-8-11-18-12(20-19-11)9-2-1-3-14-6-9/h1-7H,8H2,(H,17,21)(H,18,19,20)
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n/an/a 1.33E+6n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of SIRT6 (unknown origin)

J Med Chem 57: 4796-804 (2014)


Article DOI: 10.1021/jm500487d
BindingDB Entry DOI: 10.7270/Q2377B8B
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))		BDBM50017343
PNG
(CHEMBL3288043)
Show SMILES O=C(NCc1nc(n[nH]1)-c1cccnc1)c1cnccn1
Show InChI InChI=1S/C13H11N7O/c21-13(10-7-15-4-5-16-10)17-8-11-18-12(20-19-11)9-2-1-3-14-6-9/h1-7H,8H2,(H,17,21)(H,18,19,20)
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n/an/a 1.47E+6n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of SIRT1 (unknown origin)

J Med Chem 57: 4796-804 (2014)


Article DOI: 10.1021/jm500487d
BindingDB Entry DOI: 10.7270/Q2377B8B
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))		BDBM50017342
PNG
(CHEMBL1588664)
Show SMILES OC(=O)c1cc(NC(=O)c2cccc(NC(=O)c3ccco3)c2)ccc1O
Show InChI InChI=1S/C19H14N2O6/c22-15-7-6-13(10-14(15)19(25)26)20-17(23)11-3-1-4-12(9-11)21-18(24)16-5-2-8-27-16/h1-10,22H,(H,20,23)(H,21,24)(H,25,26)
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n/an/a 1.58E+6n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of SIRT1 (unknown origin)

J Med Chem 57: 4796-804 (2014)


Article DOI: 10.1021/jm500487d
BindingDB Entry DOI: 10.7270/Q2377B8B
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))		BDBM50017344
PNG
(CHEMBL3288044)
Show SMILES OC(=O)c1ccc(cc1)N1C(=O)CC(SC(=N)Nc2ccccc2)C1=O
Show InChI InChI=1S/C18H15N3O4S/c19-18(20-12-4-2-1-3-5-12)26-14-10-15(22)21(16(14)23)13-8-6-11(7-9-13)17(24)25/h1-9,14H,10H2,(H2,19,20)(H,24,25)
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n/an/a 1.74E+6n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of SIRT2 (unknown origin)

J Med Chem 57: 4796-804 (2014)


Article DOI: 10.1021/jm500487d
BindingDB Entry DOI: 10.7270/Q2377B8B
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))		BDBM50017343
PNG
(CHEMBL3288043)
Show SMILES O=C(NCc1nc(n[nH]1)-c1cccnc1)c1cnccn1
Show InChI InChI=1S/C13H11N7O/c21-13(10-7-15-4-5-16-10)17-8-11-18-12(20-19-11)9-2-1-3-14-6-9/h1-7H,8H2,(H,17,21)(H,18,19,20)
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n/an/a 2.29E+6n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of SIRT2 (unknown origin)

J Med Chem 57: 4796-804 (2014)


Article DOI: 10.1021/jm500487d
BindingDB Entry DOI: 10.7270/Q2377B8B
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))		BDBM50017344
PNG
(CHEMBL3288044)
Show SMILES OC(=O)c1ccc(cc1)N1C(=O)CC(SC(=N)Nc2ccccc2)C1=O
Show InChI InChI=1S/C18H15N3O4S/c19-18(20-12-4-2-1-3-5-12)26-14-10-15(22)21(16(14)23)13-8-6-11(7-9-13)17(24)25/h1-9,14H,10H2,(H2,19,20)(H,24,25)
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n/an/a 3.47E+6n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of SIRT1 (unknown origin)

J Med Chem 57: 4796-804 (2014)


Article DOI: 10.1021/jm500487d
BindingDB Entry DOI: 10.7270/Q2377B8B
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%