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PubMed code 20041717

Compile data set for download or QSAR
Found 24 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-1


(Homo sapiens (Human))
BDBM50309833
PNG
((S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-car...)
Show SMILES NC(=O)[C@H]1CCCc2c1[nH]c1ccc(Cl)cc21 |r|
Show InChI InChI=1S/C13H13ClN2O/c14-7-4-5-11-10(6-7)8-2-1-3-9(13(15)17)12(8)16-11/h4-6,9,16H,1-3H2,(H2,15,17)/t9-/m0/s1
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n/an/a 160n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT1 by Flour de Lys assay


J Med Chem 53: 1407-11 (2010)


Article DOI: 10.1021/jm9013345
BindingDB Entry DOI: 10.7270/Q23T9HBX
More data for this
Ligand-Target Pair
NAD-dependent protein 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 3.54E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 by Flour de Lys assay


J Med Chem 53: 1407-11 (2010)


Article DOI: 10.1021/jm9013345
BindingDB Entry DOI: 10.7270/Q23T9HBX
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))
BDBM50309832
PNG
(2H-chromeno[2,3-d]pyrimidine-2,4(3H)-dione | CHEMB...)
Show SMILES O=c1nc2oc3ccccc3cc2c(=O)[nH]1
Show InChI InChI=1S/C11H6N2O3/c14-9-7-5-6-3-1-2-4-8(6)16-10(7)13-11(15)12-9/h1-5H,(H,12,14,15)
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n/an/a 5.30E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT1 by Flour de Lys assay


J Med Chem 53: 1407-11 (2010)


Article DOI: 10.1021/jm9013345
BindingDB Entry DOI: 10.7270/Q23T9HBX
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))
BDBM50309831
PNG
(10-Phenyl-7-oxa-8,10-diaza-benzo[a]anthracene-9,11...)
Show SMILES O=c1nc2oc3ccc4ccccc4c3cc2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C21H12N2O3/c24-20-17-12-16-15-9-5-4-6-13(15)10-11-18(16)26-19(17)22-21(25)23(20)14-7-2-1-3-8-14/h1-12H
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n/an/a 8.40E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT1 by Flour de Lys assay


J Med Chem 53: 1407-11 (2010)


Article DOI: 10.1021/jm9013345
BindingDB Entry DOI: 10.7270/Q23T9HBX
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50309830
PNG
(2-(2-chlorobenzoyl)-1H-benzo[f]chromen-3(2H)-one |...)
Show SMILES Clc1ccccc1C(=O)C1Cc2c(OC1=O)ccc1ccccc21
Show InChI InChI=1S/C20H13ClO3/c21-17-8-4-3-7-14(17)19(22)16-11-15-13-6-2-1-5-12(13)9-10-18(15)24-20(16)23/h1-10,16H,11H2
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n/an/a 9.40E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 by Flour de Lys assay


J Med Chem 53: 1407-11 (2010)


Article DOI: 10.1021/jm9013345
BindingDB Entry DOI: 10.7270/Q23T9HBX
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50309833
PNG
((S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-car...)
Show SMILES NC(=O)[C@H]1CCCc2c1[nH]c1ccc(Cl)cc21 |r|
Show InChI InChI=1S/C13H13ClN2O/c14-7-4-5-11-10(6-7)8-2-1-3-9(13(15)17)12(8)16-11/h4-6,9,16H,1-3H2,(H2,15,17)/t9-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 by Flour de Lys assay


J Med Chem 53: 1407-11 (2010)


Article DOI: 10.1021/jm9013345
BindingDB Entry DOI: 10.7270/Q23T9HBX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50309829
PNG
(1-((3-(2-phenylpropylthio)phenylimino)methyl)napht...)
Show SMILES CC(CSc1cccc(c1)\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C26H23NOS/c1-19(20-8-3-2-4-9-20)18-29-23-12-7-11-22(16-23)27-17-25-24-13-6-5-10-21(24)14-15-26(25)28/h2-17,19,28H,18H2,1H3/b27-17+
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n/an/a 1.92E+4n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 by Flour de Lys assay


J Med Chem 53: 1407-11 (2010)


Article DOI: 10.1021/jm9013345
BindingDB Entry DOI: 10.7270/Q23T9HBX
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50309828
PNG
((E)-4-((2-hydroxynaphthalen-1-yl)methyleneamino)-N...)
Show SMILES CC(NS(=O)(=O)c1ccc(cc1)\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C25H22N2O3S/c1-18(19-7-3-2-4-8-19)27-31(29,30)22-14-12-21(13-15-22)26-17-24-23-10-6-5-9-20(23)11-16-25(24)28/h2-18,27-28H,1H3/b26-17+
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n/an/a 2.26E+4n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 by Flour de Lys assay


J Med Chem 53: 1407-11 (2010)


Article DOI: 10.1021/jm9013345
BindingDB Entry DOI: 10.7270/Q23T9HBX
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50309827
PNG
(CHEMBL597845 | Salermide)
Show SMILES CC(C(=O)Nc1cccc(c1)\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C26H22N2O2/c1-18(19-8-3-2-4-9-19)26(30)28-22-12-7-11-21(16-22)27-17-24-23-13-6-5-10-20(23)14-15-25(24)29/h2-18,29H,1H3,(H,28,30)/b27-17+
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n/an/a 2.50E+4n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 by Flour de Lys assay


J Med Chem 53: 1407-11 (2010)


Article DOI: 10.1021/jm9013345
BindingDB Entry DOI: 10.7270/Q23T9HBX
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50177984
PNG
(CHEMBL372375 | para-Sirtinol)
Show SMILES CC(NC(=O)c1ccc(cc1)\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C26H22N2O2/c1-18(19-7-3-2-4-8-19)28-26(30)21-11-14-22(15-12-21)27-17-24-23-10-6-5-9-20(23)13-16-25(24)29/h2-18,29H,1H3,(H,28,30)/b27-17+
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n/an/a 2.99E+4n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 by Flour de Lys assay


J Med Chem 53: 1407-11 (2010)


Article DOI: 10.1021/jm9013345
BindingDB Entry DOI: 10.7270/Q23T9HBX
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50177985
PNG
(CHEMBL200762 | meta-Sirtinol)
Show SMILES CC(NC(=O)c1cccc(c1)\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C26H22N2O2/c1-18(19-8-3-2-4-9-19)28-26(30)21-11-7-12-22(16-21)27-17-24-23-13-6-5-10-20(23)14-15-25(24)29/h2-18,29H,1H3,(H,28,30)/b27-17+
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n/an/a 3.45E+4n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 by Flour de Lys assay


J Med Chem 53: 1407-11 (2010)


Article DOI: 10.1021/jm9013345
BindingDB Entry DOI: 10.7270/Q23T9HBX
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))
BDBM50309829
PNG
(1-((3-(2-phenylpropylthio)phenylimino)methyl)napht...)
Show SMILES CC(CSc1cccc(c1)\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C26H23NOS/c1-19(20-8-3-2-4-9-20)18-29-23-12-7-11-22(16-23)27-17-25-24-13-6-5-10-21(24)14-15-26(25)28/h2-17,19,28H,18H2,1H3/b27-17+
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n/an/a 4.03E+4n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT1 by Flour de Lys assay


J Med Chem 53: 1407-11 (2010)


Article DOI: 10.1021/jm9013345
BindingDB Entry DOI: 10.7270/Q23T9HBX
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))
BDBM50309827
PNG
(CHEMBL597845 | Salermide)
Show SMILES CC(C(=O)Nc1cccc(c1)\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C26H22N2O2/c1-18(19-8-3-2-4-9-19)26(30)28-22-12-7-11-21(16-22)27-17-24-23-13-6-5-10-20(23)14-15-25(24)29/h2-18,29H,1H3,(H,28,30)/b27-17+
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n/an/a 4.28E+4n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT1 by Flour de Lys assay


J Med Chem 53: 1407-11 (2010)


Article DOI: 10.1021/jm9013345
BindingDB Entry DOI: 10.7270/Q23T9HBX
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))
BDBM50309828
PNG
((E)-4-((2-hydroxynaphthalen-1-yl)methyleneamino)-N...)
Show SMILES CC(NS(=O)(=O)c1ccc(cc1)\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C25H22N2O3S/c1-18(19-7-3-2-4-8-19)27-31(29,30)22-14-12-21(13-15-22)26-17-24-23-10-6-5-9-20(23)11-16-25(24)28/h2-18,27-28H,1H3/b26-17+
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n/an/a 4.41E+4n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT1 by Flour de Lys assay


J Med Chem 53: 1407-11 (2010)


Article DOI: 10.1021/jm9013345
BindingDB Entry DOI: 10.7270/Q23T9HBX
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50156760
PNG
((E)-2-((2-hydroxynaphthalen-1-yl)methyleneamino)-N...)
Show SMILES CC(NC(=O)c1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C26H22N2O2/c1-18(19-9-3-2-4-10-19)28-26(30)22-13-7-8-14-24(22)27-17-23-21-12-6-5-11-20(21)15-16-25(23)29/h2-18,29H,1H3,(H,28,30)/b27-17+
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n/an/a 4.59E+4n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 by Flour de Lys assay


J Med Chem 53: 1407-11 (2010)


Article DOI: 10.1021/jm9013345
BindingDB Entry DOI: 10.7270/Q23T9HBX
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))
BDBM50177984
PNG
(CHEMBL372375 | para-Sirtinol)
Show SMILES CC(NC(=O)c1ccc(cc1)\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C26H22N2O2/c1-18(19-7-3-2-4-8-19)28-26(30)21-11-14-22(15-12-21)27-17-24-23-10-6-5-9-20(23)13-16-25(24)29/h2-18,29H,1H3,(H,28,30)/b27-17+
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n/an/a 4.81E+4n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT1 by Flour de Lys assay


J Med Chem 53: 1407-11 (2010)


Article DOI: 10.1021/jm9013345
BindingDB Entry DOI: 10.7270/Q23T9HBX
More data for this
Ligand-Target Pair
NAD-dependent protein 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



INSERM

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT1 by Flour de Lys assay


J Med Chem 53: 1407-11 (2010)


Article DOI: 10.1021/jm9013345
BindingDB Entry DOI: 10.7270/Q23T9HBX
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))
BDBM50177985
PNG
(CHEMBL200762 | meta-Sirtinol)
Show SMILES CC(NC(=O)c1cccc(c1)\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C26H22N2O2/c1-18(19-8-3-2-4-9-19)28-26(30)21-11-7-12-22(16-21)27-17-24-23-13-6-5-10-20(23)14-15-25(24)29/h2-18,29H,1H3,(H,28,30)/b27-17+
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n/an/a 5.86E+4n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT1 by Flour de Lys assay


J Med Chem 53: 1407-11 (2010)


Article DOI: 10.1021/jm9013345
BindingDB Entry DOI: 10.7270/Q23T9HBX
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))
BDBM50309830
PNG
(2-(2-chlorobenzoyl)-1H-benzo[f]chromen-3(2H)-one |...)
Show SMILES Clc1ccccc1C(=O)C1Cc2c(OC1=O)ccc1ccccc21
Show InChI InChI=1S/C20H13ClO3/c21-17-8-4-3-7-14(17)19(22)16-11-15-13-6-2-1-5-12(13)9-10-18(15)24-20(16)23/h1-10,16H,11H2
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n/an/a 8.98E+4n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT1 by Flour de Lys assay


J Med Chem 53: 1407-11 (2010)


Article DOI: 10.1021/jm9013345
BindingDB Entry DOI: 10.7270/Q23T9HBX
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))
BDBM29590
PNG
(1,2-Dihydro-3H-naphtho[2,1-b]pyran-3-one | CHEMBL8...)
Show SMILES O=C1CCc2c(O1)ccc1ccccc21
Show InChI InChI=1S/C13H10O2/c14-13-8-6-11-10-4-2-1-3-9(10)5-7-12(11)15-13/h1-5,7H,6,8H2
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n/an/a 9.62E+4n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT1 by Flour de Lys assay


J Med Chem 53: 1407-11 (2010)


Article DOI: 10.1021/jm9013345
BindingDB Entry DOI: 10.7270/Q23T9HBX
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM29590
PNG
(1,2-Dihydro-3H-naphtho[2,1-b]pyran-3-one | CHEMBL8...)
Show SMILES O=C1CCc2c(O1)ccc1ccccc21
Show InChI InChI=1S/C13H10O2/c14-13-8-6-11-10-4-2-1-3-9(10)5-7-12(11)15-13/h1-5,7H,6,8H2
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n/an/a 1.13E+5n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 by Flour de Lys assay


J Med Chem 53: 1407-11 (2010)


Article DOI: 10.1021/jm9013345
BindingDB Entry DOI: 10.7270/Q23T9HBX
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))
BDBM50156760
PNG
((E)-2-((2-hydroxynaphthalen-1-yl)methyleneamino)-N...)
Show SMILES CC(NC(=O)c1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C26H22N2O2/c1-18(19-9-3-2-4-10-19)28-26(30)22-13-7-8-14-24(22)27-17-23-21-12-6-5-11-20(21)15-16-25(23)29/h2-18,29H,1H3,(H,28,30)/b27-17+
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n/an/a 1.23E+5n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT1 by Flour de Lys assay


J Med Chem 53: 1407-11 (2010)


Article DOI: 10.1021/jm9013345
BindingDB Entry DOI: 10.7270/Q23T9HBX
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50309831
PNG
(10-Phenyl-7-oxa-8,10-diaza-benzo[a]anthracene-9,11...)
Show SMILES O=c1nc2oc3ccc4ccccc4c3cc2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C21H12N2O3/c24-20-17-12-16-15-9-5-4-6-13(15)10-11-18(16)26-19(17)22-21(25)23(20)14-7-2-1-3-8-14/h1-12H
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n/an/a 1.91E+5n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 by Flour de Lys assay


J Med Chem 53: 1407-11 (2010)


Article DOI: 10.1021/jm9013345
BindingDB Entry DOI: 10.7270/Q23T9HBX
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50309832
PNG
(2H-chromeno[2,3-d]pyrimidine-2,4(3H)-dione | CHEMB...)
Show SMILES O=c1nc2oc3ccccc3cc2c(=O)[nH]1
Show InChI InChI=1S/C11H6N2O3/c14-9-7-5-6-3-1-2-4-8(6)16-10(7)13-11(15)12-9/h1-5H,(H,12,14,15)
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n/an/a 2.44E+5n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 by Flour de Lys assay


J Med Chem 53: 1407-11 (2010)


Article DOI: 10.1021/jm9013345
BindingDB Entry DOI: 10.7270/Q23T9HBX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%