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PubMed code 17588900

Compile data set for download or QSAR
Found 27 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 deacetylase sirtuin 2


(Homo sapiens (human))
BDBM50216689
PNG
(2-cyano-3-(5-(2,5-dichlorophenyl)furan-2-yl)-N-(qu...)
Show SMILES Clc1ccc(Cl)c(c1)-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1
Show InChI InChI=1S/C23H13Cl2N3O2/c24-15-6-8-19(25)18(12-15)22-9-7-16(30-22)11-14(13-26)23(29)28-21-5-1-4-20-17(21)3-2-10-27-20/h1-12H,(H,28,29)/b14-11+
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n/an/a 3.50E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 using fluorescent peptide substrate by fluorescent assay


Science 317: 516-9 (2007)


Article DOI: 10.1126/science.1143780
BindingDB Entry DOI: 10.7270/Q2D50MPG
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50216692
PNG
(2-cyano-3-(5-(2,5-dichlorophenyl)furan-2-yl)-N-(qu...)
Show SMILES Clc1ccc(Cl)c(c1)-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3cccnc23)o1
Show InChI InChI=1S/C23H13Cl2N3O2/c24-16-6-8-19(25)18(12-16)21-9-7-17(30-21)11-15(13-26)23(29)28-20-5-1-3-14-4-2-10-27-22(14)20/h1-12H,(H,28,29)/b15-11+
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n/an/a>5.00E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT3 using fluorescent peptide substrate by fluorescent assay


Science 317: 516-9 (2007)


Article DOI: 10.1126/science.1143780
BindingDB Entry DOI: 10.7270/Q2D50MPG
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (human))
BDBM50216691
PNG
(3-(5-(2-chlorophenyl)furan-2-yl)-2-cyano-N-(quinol...)
Show SMILES Clc1ccccc1-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1
Show InChI InChI=1S/C23H14ClN3O2/c24-19-7-2-1-5-17(19)22-11-10-16(29-22)13-15(14-25)23(28)27-21-9-3-8-20-18(21)6-4-12-26-20/h1-13H,(H,27,28)/b15-13+
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n/an/a 5.50E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 using fluorescent peptide substrate by fluorescent assay


Science 317: 516-9 (2007)


Article DOI: 10.1126/science.1143780
BindingDB Entry DOI: 10.7270/Q2D50MPG
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (human))
BDBM50216688
PNG
(2-cyano-N-(quinolin-5-yl)-3-(5-(3-(trifluoromethyl...)
Show SMILES FC(F)(F)c1cccc(c1)-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1
Show InChI InChI=1S/C24H14F3N3O2/c25-24(26,27)17-5-1-4-15(12-17)22-10-9-18(32-22)13-16(14-28)23(31)30-21-8-2-7-20-19(21)6-3-11-29-20/h1-13H,(H,30,31)/b16-13+
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n/an/a 6.00E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 using fluorescent peptide substrate by fluorescent assay


Science 317: 516-9 (2007)


Article DOI: 10.1126/science.1143780
BindingDB Entry DOI: 10.7270/Q2D50MPG
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (human))
BDBM50216693
PNG
(2-cyano-3-(5-(2,3-dichlorophenyl)furan-2-yl)-N-(qu...)
Show SMILES Clc1cccc(-c2ccc(\C=C(/C#N)C(=O)Nc3cccc4ncccc34)o2)c1Cl
Show InChI InChI=1S/C23H13Cl2N3O2/c24-18-6-1-4-17(22(18)25)21-10-9-15(30-21)12-14(13-26)23(29)28-20-8-2-7-19-16(20)5-3-11-27-19/h1-12H,(H,28,29)/b14-12+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 using fluorescent peptide substrate by fluorescent assay


Science 317: 516-9 (2007)


Article DOI: 10.1126/science.1143780
BindingDB Entry DOI: 10.7270/Q2D50MPG
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (human))
BDBM50216685
PNG
((4-chlorophenyl)(4-(8-nitroquinolin-5-yl)piperazin...)
Show SMILES [O-][N+](=O)c1ccc(N2CCN(CC2)C(=O)c2ccc(Cl)cc2)c2cccnc12
Show InChI InChI=1S/C20H17ClN4O3/c21-15-5-3-14(4-6-15)20(26)24-12-10-23(11-13-24)17-7-8-18(25(27)28)19-16(17)2-1-9-22-19/h1-9H,10-13H2
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n/an/a 3.50E+4n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 using fluorescent peptide substrate by fluorescent assay


Science 317: 516-9 (2007)


Article DOI: 10.1126/science.1143780
BindingDB Entry DOI: 10.7270/Q2D50MPG
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50216689
PNG
(2-cyano-3-(5-(2,5-dichlorophenyl)furan-2-yl)-N-(qu...)
Show SMILES Clc1ccc(Cl)c(c1)-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1
Show InChI InChI=1S/C23H13Cl2N3O2/c24-15-6-8-19(25)18(12-15)22-9-7-16(30-22)11-14(13-26)23(29)28-21-5-1-4-20-17(21)3-2-10-27-20/h1-12H,(H,28,29)/b14-11+
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n/an/a>5.00E+4n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT1 using fluorescent peptide substrate by fluorescent assay


Science 317: 516-9 (2007)


Article DOI: 10.1126/science.1143780
BindingDB Entry DOI: 10.7270/Q2D50MPG
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50216686
PNG
(3-(5-(2-chlorophenyl)furan-2-yl)-2-cyano-N-(quinol...)
Show SMILES Clc1ccccc1-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3cccnc23)o1
Show InChI InChI=1S/C23H14ClN3O2/c24-19-8-2-1-7-18(19)21-11-10-17(29-21)13-16(14-25)23(28)27-20-9-3-5-15-6-4-12-26-22(15)20/h1-13H,(H,27,28)/b16-13+
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n/an/a>5.00E+4n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT3 using fluorescent peptide substrate by fluorescent assay


Science 317: 516-9 (2007)


Article DOI: 10.1126/science.1143780
BindingDB Entry DOI: 10.7270/Q2D50MPG
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50216692
PNG
(2-cyano-3-(5-(2,5-dichlorophenyl)furan-2-yl)-N-(qu...)
Show SMILES Clc1ccc(Cl)c(c1)-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3cccnc23)o1
Show InChI InChI=1S/C23H13Cl2N3O2/c24-16-6-8-19(25)18(12-16)21-9-7-17(30-21)11-15(13-26)23(29)28-20-5-1-3-14-4-2-10-27-22(14)20/h1-12H,(H,28,29)/b15-11+
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT1 using fluorescent peptide substrate by fluorescent assay


Science 317: 516-9 (2007)


Article DOI: 10.1126/science.1143780
BindingDB Entry DOI: 10.7270/Q2D50MPG
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50216688
PNG
(2-cyano-N-(quinolin-5-yl)-3-(5-(3-(trifluoromethyl...)
Show SMILES FC(F)(F)c1cccc(c1)-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1
Show InChI InChI=1S/C24H14F3N3O2/c25-24(26,27)17-5-1-4-15(12-17)22-10-9-18(32-22)13-16(14-28)23(31)30-21-8-2-7-20-19(21)6-3-11-29-20/h1-13H,(H,30,31)/b16-13+
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n/an/a>5.00E+4n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT1 using fluorescent peptide substrate by fluorescent assay


Science 317: 516-9 (2007)


Article DOI: 10.1126/science.1143780
BindingDB Entry DOI: 10.7270/Q2D50MPG
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50216691
PNG
(3-(5-(2-chlorophenyl)furan-2-yl)-2-cyano-N-(quinol...)
Show SMILES Clc1ccccc1-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1
Show InChI InChI=1S/C23H14ClN3O2/c24-19-7-2-1-5-17(19)22-11-10-16(29-22)13-15(14-25)23(28)27-21-9-3-8-20-18(21)6-4-12-26-20/h1-13H,(H,27,28)/b15-13+
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n/an/a>5.00E+4n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT1 using fluorescent peptide substrate by fluorescent assay


Science 317: 516-9 (2007)


Article DOI: 10.1126/science.1143780
BindingDB Entry DOI: 10.7270/Q2D50MPG
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (human))
BDBM50216690
PNG
(2-cyano-3-(5-(2,3-dichlorophenyl)furan-2-yl)-N-(qu...)
Show SMILES Clc1cccc(-c2ccc(\C=C(/C#N)C(=O)Nc3cccc4cccnc34)o2)c1Cl
Show InChI InChI=1S/C23H13Cl2N3O2/c24-18-7-2-6-17(21(18)25)20-10-9-16(30-20)12-15(13-26)23(29)28-19-8-1-4-14-5-3-11-27-22(14)19/h1-12H,(H,28,29)/b15-12+
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n/an/a>5.00E+4n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 using fluorescent peptide substrate by fluorescent assay


Science 317: 516-9 (2007)


Article DOI: 10.1126/science.1143780
BindingDB Entry DOI: 10.7270/Q2D50MPG
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50216686
PNG
(3-(5-(2-chlorophenyl)furan-2-yl)-2-cyano-N-(quinol...)
Show SMILES Clc1ccccc1-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3cccnc23)o1
Show InChI InChI=1S/C23H14ClN3O2/c24-19-8-2-1-7-18(19)21-11-10-17(29-21)13-16(14-25)23(28)27-20-9-3-5-15-6-4-12-26-22(15)20/h1-13H,(H,27,28)/b16-13+
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT1 using fluorescent peptide substrate by fluorescent assay


Science 317: 516-9 (2007)


Article DOI: 10.1126/science.1143780
BindingDB Entry DOI: 10.7270/Q2D50MPG
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50216691
PNG
(3-(5-(2-chlorophenyl)furan-2-yl)-2-cyano-N-(quinol...)
Show SMILES Clc1ccccc1-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1
Show InChI InChI=1S/C23H14ClN3O2/c24-19-7-2-1-5-17(19)22-11-10-16(29-22)13-15(14-25)23(28)27-21-9-3-8-20-18(21)6-4-12-26-20/h1-13H,(H,27,28)/b15-13+
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n/an/a>5.00E+4n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT3 using fluorescent peptide substrate by fluorescent assay


Science 317: 516-9 (2007)


Article DOI: 10.1126/science.1143780
BindingDB Entry DOI: 10.7270/Q2D50MPG
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50216693
PNG
(2-cyano-3-(5-(2,3-dichlorophenyl)furan-2-yl)-N-(qu...)
Show SMILES Clc1cccc(-c2ccc(\C=C(/C#N)C(=O)Nc3cccc4ncccc34)o2)c1Cl
Show InChI InChI=1S/C23H13Cl2N3O2/c24-18-6-1-4-17(22(18)25)21-10-9-15(30-21)12-14(13-26)23(29)28-20-8-2-7-19-16(20)5-3-11-27-19/h1-12H,(H,28,29)/b14-12+
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT1 using fluorescent peptide substrate by fluorescent assay


Science 317: 516-9 (2007)


Article DOI: 10.1126/science.1143780
BindingDB Entry DOI: 10.7270/Q2D50MPG
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50216685
PNG
((4-chlorophenyl)(4-(8-nitroquinolin-5-yl)piperazin...)
Show SMILES [O-][N+](=O)c1ccc(N2CCN(CC2)C(=O)c2ccc(Cl)cc2)c2cccnc12
Show InChI InChI=1S/C20H17ClN4O3/c21-15-5-3-14(4-6-15)20(26)24-12-10-23(11-13-24)17-7-8-18(25(27)28)19-16(17)2-1-9-22-19/h1-9H,10-13H2
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT3 using fluorescent peptide substrate by fluorescent assay


Science 317: 516-9 (2007)


Article DOI: 10.1126/science.1143780
BindingDB Entry DOI: 10.7270/Q2D50MPG
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50216687
PNG
(2-cyano-N-(quinolin-8-yl)-3-(5-(3-(trifluoromethyl...)
Show SMILES FC(F)(F)c1cccc(c1)-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3cccnc23)o1
Show InChI InChI=1S/C24H14F3N3O2/c25-24(26,27)18-7-1-5-16(12-18)21-10-9-19(32-21)13-17(14-28)23(31)30-20-8-2-4-15-6-3-11-29-22(15)20/h1-13H,(H,30,31)/b17-13+
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT1 using fluorescent peptide substrate by fluorescent assay


Science 317: 516-9 (2007)


Article DOI: 10.1126/science.1143780
BindingDB Entry DOI: 10.7270/Q2D50MPG
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50216693
PNG
(2-cyano-3-(5-(2,3-dichlorophenyl)furan-2-yl)-N-(qu...)
Show SMILES Clc1cccc(-c2ccc(\C=C(/C#N)C(=O)Nc3cccc4ncccc34)o2)c1Cl
Show InChI InChI=1S/C23H13Cl2N3O2/c24-18-6-1-4-17(22(18)25)21-10-9-15(30-21)12-14(13-26)23(29)28-20-8-2-7-19-16(20)5-3-11-27-19/h1-12H,(H,28,29)/b14-12+
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT3 using fluorescent peptide substrate by fluorescent assay


Science 317: 516-9 (2007)


Article DOI: 10.1126/science.1143780
BindingDB Entry DOI: 10.7270/Q2D50MPG
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (human))
BDBM50216686
PNG
(3-(5-(2-chlorophenyl)furan-2-yl)-2-cyano-N-(quinol...)
Show SMILES Clc1ccccc1-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3cccnc23)o1
Show InChI InChI=1S/C23H14ClN3O2/c24-19-8-2-1-7-18(19)21-11-10-17(29-21)13-16(14-25)23(28)27-20-9-3-5-15-6-4-12-26-22(15)20/h1-13H,(H,27,28)/b16-13+
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 using fluorescent peptide substrate by fluorescent assay


Science 317: 516-9 (2007)


Article DOI: 10.1126/science.1143780
BindingDB Entry DOI: 10.7270/Q2D50MPG
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50216685
PNG
((4-chlorophenyl)(4-(8-nitroquinolin-5-yl)piperazin...)
Show SMILES [O-][N+](=O)c1ccc(N2CCN(CC2)C(=O)c2ccc(Cl)cc2)c2cccnc12
Show InChI InChI=1S/C20H17ClN4O3/c21-15-5-3-14(4-6-15)20(26)24-12-10-23(11-13-24)17-7-8-18(25(27)28)19-16(17)2-1-9-22-19/h1-9H,10-13H2
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n/an/a>5.00E+4n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT1 using fluorescent peptide substrate by fluorescent assay


Science 317: 516-9 (2007)


Article DOI: 10.1126/science.1143780
BindingDB Entry DOI: 10.7270/Q2D50MPG
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50216690
PNG
(2-cyano-3-(5-(2,3-dichlorophenyl)furan-2-yl)-N-(qu...)
Show SMILES Clc1cccc(-c2ccc(\C=C(/C#N)C(=O)Nc3cccc4cccnc34)o2)c1Cl
Show InChI InChI=1S/C23H13Cl2N3O2/c24-18-7-2-6-17(21(18)25)20-10-9-16(30-20)12-15(13-26)23(29)28-19-8-1-4-14-5-3-11-27-22(14)19/h1-12H,(H,28,29)/b15-12+
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n/an/a>5.00E+4n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT3 using fluorescent peptide substrate by fluorescent assay


Science 317: 516-9 (2007)


Article DOI: 10.1126/science.1143780
BindingDB Entry DOI: 10.7270/Q2D50MPG
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50216687
PNG
(2-cyano-N-(quinolin-8-yl)-3-(5-(3-(trifluoromethyl...)
Show SMILES FC(F)(F)c1cccc(c1)-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3cccnc23)o1
Show InChI InChI=1S/C24H14F3N3O2/c25-24(26,27)18-7-1-5-16(12-18)21-10-9-19(32-21)13-17(14-28)23(31)30-20-8-2-4-15-6-3-11-29-22(15)20/h1-13H,(H,30,31)/b17-13+
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n/an/a>5.00E+4n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT3 using fluorescent peptide substrate by fluorescent assay


Science 317: 516-9 (2007)


Article DOI: 10.1126/science.1143780
BindingDB Entry DOI: 10.7270/Q2D50MPG
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50216688
PNG
(2-cyano-N-(quinolin-5-yl)-3-(5-(3-(trifluoromethyl...)
Show SMILES FC(F)(F)c1cccc(c1)-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1
Show InChI InChI=1S/C24H14F3N3O2/c25-24(26,27)17-5-1-4-15(12-17)22-10-9-18(32-22)13-16(14-28)23(31)30-21-8-2-7-20-19(21)6-3-11-29-20/h1-13H,(H,30,31)/b16-13+
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n/an/a>5.00E+4n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT3 using fluorescent peptide substrate by fluorescent assay


Science 317: 516-9 (2007)


Article DOI: 10.1126/science.1143780
BindingDB Entry DOI: 10.7270/Q2D50MPG
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (human))
BDBM50216692
PNG
(2-cyano-3-(5-(2,5-dichlorophenyl)furan-2-yl)-N-(qu...)
Show SMILES Clc1ccc(Cl)c(c1)-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3cccnc23)o1
Show InChI InChI=1S/C23H13Cl2N3O2/c24-16-6-8-19(25)18(12-16)21-9-7-17(30-21)11-15(13-26)23(29)28-20-5-1-3-14-4-2-10-27-22(14)20/h1-12H,(H,28,29)/b15-11+
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 using fluorescent peptide substrate by fluorescent assay


Science 317: 516-9 (2007)


Article DOI: 10.1126/science.1143780
BindingDB Entry DOI: 10.7270/Q2D50MPG
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50216690
PNG
(2-cyano-3-(5-(2,3-dichlorophenyl)furan-2-yl)-N-(qu...)
Show SMILES Clc1cccc(-c2ccc(\C=C(/C#N)C(=O)Nc3cccc4cccnc34)o2)c1Cl
Show InChI InChI=1S/C23H13Cl2N3O2/c24-18-7-2-6-17(21(18)25)20-10-9-16(30-20)12-15(13-26)23(29)28-19-8-1-4-14-5-3-11-27-22(14)19/h1-12H,(H,28,29)/b15-12+
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n/an/a>5.00E+4n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT1 using fluorescent peptide substrate by fluorescent assay


Science 317: 516-9 (2007)


Article DOI: 10.1126/science.1143780
BindingDB Entry DOI: 10.7270/Q2D50MPG
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (human))
BDBM50216687
PNG
(2-cyano-N-(quinolin-8-yl)-3-(5-(3-(trifluoromethyl...)
Show SMILES FC(F)(F)c1cccc(c1)-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3cccnc23)o1
Show InChI InChI=1S/C24H14F3N3O2/c25-24(26,27)18-7-1-5-16(12-18)21-10-9-19(32-21)13-17(14-28)23(31)30-20-8-2-4-15-6-3-11-29-22(15)20/h1-13H,(H,30,31)/b17-13+
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n/an/a>5.00E+4n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 using fluorescent peptide substrate by fluorescent assay


Science 317: 516-9 (2007)


Article DOI: 10.1126/science.1143780
BindingDB Entry DOI: 10.7270/Q2D50MPG
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50216689
PNG
(2-cyano-3-(5-(2,5-dichlorophenyl)furan-2-yl)-N-(qu...)
Show SMILES Clc1ccc(Cl)c(c1)-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1
Show InChI InChI=1S/C23H13Cl2N3O2/c24-15-6-8-19(25)18(12-15)22-9-7-16(30-22)11-14(13-26)23(29)28-21-5-1-4-20-17(21)3-2-10-27-20/h1-12H,(H,28,29)/b14-11+
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n/an/a>5.00E+4n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT3 using fluorescent peptide substrate by fluorescent assay


Science 317: 516-9 (2007)


Article DOI: 10.1126/science.1143780
BindingDB Entry DOI: 10.7270/Q2D50MPG
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%