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Compile Data Set for Download or QSAR

Found 46 hits with Last Name = 'posakony' and Initial = 'j'   
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-3, mitochondrial


(Homo sapiens (Human))
BDBM50004764
PNG
(CHEMBL3233733)
Show SMILES Cc1ccc(cc1)-c1[nH][nH]c(=O)c1Cc1c(O)ccc2cc(ccc12)-c1ccccc1
Show InChI InChI=1S/C27H22N2O2/c1-17-7-9-19(10-8-17)26-24(27(31)29-28-26)16-23-22-13-11-20(18-5-3-2-4-6-18)15-21(22)12-14-25(23)30/h2-15,30H,16H2,1H3,(H2,28,29,31)
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n/an/a 6.00E+3n/an/an/an/an/an/a



Fred Hutchinson Cancer Research Center

Curated by ChEMBL


Assay Description
Inhibition of SIRT3 (unknown origin) by luminescence assay


J Med Chem 57: 3283-94 (2014)


Article DOI: 10.1021/jm4018064
BindingDB Entry DOI: 10.7270/Q28G8N7Z
More data for this
Ligand-Target Pair
NAD-dependent histone deacetylase SIR2


(Saccharomyces cerevisiae)
BDBM50146058
PNG
(Benzo[de]isochromene-1,3-dione | CHEMBL316059)
Show SMILES O=C1OC(=O)c2cccc3cccc1c23
Show InChI InChI=1S/C12H6O3/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(14)15-11/h1-6H
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n/an/a 8.80E+3n/an/an/an/an/an/a



Fred Hutchinson Cancer Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of sirtuin 2 was evaluated using yeast whole cell lysates


J Med Chem 47: 2635-44 (2004)


Article DOI: 10.1021/jm030473r
BindingDB Entry DOI: 10.7270/Q228071B
More data for this
Ligand-Target Pair
NAD-dependent histone deacetylase SIR2


(Saccharomyces cerevisiae)
BDBM50146048
PNG
(2,3-Dihydro-1H-naphtho[2,1-b]oxepin-4-one | CHEMBL...)
Show SMILES O=C1CCCc2c(O1)ccc1ccccc21
Show InChI InChI=1S/C14H12O2/c15-14-7-3-6-12-11-5-2-1-4-10(11)8-9-13(12)16-14/h1-2,4-5,8-9H,3,6-7H2
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n/an/a 1.20E+4n/an/an/an/an/an/a



Fred Hutchinson Cancer Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of sirtuin 2 was evaluated using yeast whole cell lysates


J Med Chem 47: 2635-44 (2004)


Article DOI: 10.1021/jm030473r
BindingDB Entry DOI: 10.7270/Q228071B
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50004887
PNG
(CHEMBL3233749)
Show SMILES Cc1ccc(cc1)-c1[nH]oc(=O)c1Cc1c(O)ccc2cc(Br)ccc12
Show InChI InChI=1S/C21H16BrNO3/c1-12-2-4-13(5-3-12)20-18(21(25)26-23-20)11-17-16-8-7-15(22)10-14(16)6-9-19(17)24/h2-10,23-24H,11H2,1H3
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n/an/a 1.30E+4n/an/an/an/an/an/a



Fred Hutchinson Cancer Research Center

Curated by ChEMBL


Assay Description
Inhibition of SIRT2 (unknown origin) by luminescence assay


J Med Chem 57: 3283-94 (2014)


Article DOI: 10.1021/jm4018064
BindingDB Entry DOI: 10.7270/Q28G8N7Z
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))
BDBM50004795
PNG
(CHEMBL3233748)
Show SMILES CC(C)c1ccc(cc1)-c1[nH][nH]c(=O)c1Cc1c(O)ccc2nc(Cl)ccc12
Show InChI InChI=1S/C22H20ClN3O2/c1-12(2)13-3-5-14(6-4-13)21-17(22(28)26-25-21)11-16-15-7-10-20(23)24-18(15)8-9-19(16)27/h3-10,12,27H,11H2,1-2H3,(H2,25,26,28)
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n/an/a 2.10E+4n/an/an/an/an/an/a



Fred Hutchinson Cancer Research Center

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-6-tagged recombinant human SIRT1 expressed in Escherichia coli BL21(DE3) by luminescence assay


J Med Chem 57: 3283-94 (2014)


Article DOI: 10.1021/jm4018064
BindingDB Entry DOI: 10.7270/Q28G8N7Z
More data for this
Ligand-Target Pair
NAD-dependent histone deacetylase SIR2


(Saccharomyces cerevisiae)
BDBM50146067
PNG
(1,2-Dihydro-benzo[f]thiochromen-3-one | CHEMBL3143...)
Show SMILES O=C1CCc2c(S1)ccc1ccccc21
Show InChI InChI=1S/C13H10OS/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 2.50E+4n/an/an/an/an/an/a



Fred Hutchinson Cancer Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of sirtuin 2 was evaluated using yeast whole cell lysates


J Med Chem 47: 2635-44 (2004)


Article DOI: 10.1021/jm030473r
BindingDB Entry DOI: 10.7270/Q228071B
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))
BDBM50004777
PNG
(CHEMBL3233742)
Show SMILES COc1cc2ccccc2c(Cc2c([nH][nH]c2=O)-c2ccc(C)cc2)c1O
Show InChI InChI=1S/C22H20N2O3/c1-13-7-9-14(10-8-13)20-18(22(26)24-23-20)12-17-16-6-4-3-5-15(16)11-19(27-2)21(17)25/h3-11,25H,12H2,1-2H3,(H2,23,24,26)
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n/an/a 2.60E+4n/an/an/an/an/an/a



Fred Hutchinson Cancer Research Center

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-6-tagged recombinant human SIRT1 expressed in Escherichia coli BL21(DE3) by luminescence assay


J Med Chem 57: 3283-94 (2014)


Article DOI: 10.1021/jm4018064
BindingDB Entry DOI: 10.7270/Q28G8N7Z
More data for this
Ligand-Target Pair
NAD-dependent histone deacetylase SIR2


(Saccharomyces cerevisiae)
BDBM50146052
PNG
(5-Benzyloxy-1,2-dihydro-benzo[f]chromen-3-one | CH...)
Show SMILES O=C1CCc2c(O1)c(OCc1ccccc1)cc1ccccc21
Show InChI InChI=1S/C20H16O3/c21-19-11-10-17-16-9-5-4-8-15(16)12-18(20(17)23-19)22-13-14-6-2-1-3-7-14/h1-9,12H,10-11,13H2
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n/an/a 2.70E+4n/an/an/an/an/an/a



Fred Hutchinson Cancer Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of sirtuin 2 was evaluated using yeast whole cell lysates


J Med Chem 47: 2635-44 (2004)


Article DOI: 10.1021/jm030473r
BindingDB Entry DOI: 10.7270/Q228071B
More data for this
Ligand-Target Pair
NAD-dependent histone deacetylase SIR2


(Saccharomyces cerevisiae)
BDBM50146063
PNG
(2-Isobutyl-1,2-dihydro-benzo[f]chromen-3-one | CHE...)
Show SMILES CC(C)CC1Cc2c(OC1=O)ccc1ccccc21
Show InChI InChI=1S/C17H18O2/c1-11(2)9-13-10-15-14-6-4-3-5-12(14)7-8-16(15)19-17(13)18/h3-8,11,13H,9-10H2,1-2H3
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n/an/a 2.70E+4n/an/an/an/an/an/a



Fred Hutchinson Cancer Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of sirtuin 2 was evaluated using yeast whole cell lysates


J Med Chem 47: 2635-44 (2004)


Article DOI: 10.1021/jm030473r
BindingDB Entry DOI: 10.7270/Q228071B
More data for this
Ligand-Target Pair
NAD-dependent histone deacetylase SIR2


(Saccharomyces cerevisiae)
BDBM50146044
PNG
(2-Allyl-1,2-dihydro-benzo[f]chromen-3-one | CHEMBL...)
Show SMILES C=CCC1Cc2c(OC1=O)ccc1ccccc21
Show InChI InChI=1S/C16H14O2/c1-2-5-12-10-14-13-7-4-3-6-11(13)8-9-15(14)18-16(12)17/h2-4,6-9,12H,1,5,10H2
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n/an/a 2.70E+4n/an/an/an/an/an/a



Fred Hutchinson Cancer Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of sirtuin 2 was evaluated using yeast whole cell lysates


J Med Chem 47: 2635-44 (2004)


Article DOI: 10.1021/jm030473r
BindingDB Entry DOI: 10.7270/Q228071B
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50004764
PNG
(CHEMBL3233733)
Show SMILES Cc1ccc(cc1)-c1[nH][nH]c(=O)c1Cc1c(O)ccc2cc(ccc12)-c1ccccc1
Show InChI InChI=1S/C27H22N2O2/c1-17-7-9-19(10-8-17)26-24(27(31)29-28-26)16-23-22-13-11-20(18-5-3-2-4-6-18)15-21(22)12-14-25(23)30/h2-15,30H,16H2,1H3,(H2,28,29,31)
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n/an/a 3.20E+4n/an/an/an/an/an/a



Fred Hutchinson Cancer Research Center

Curated by ChEMBL


Assay Description
Inhibition of SIRT2 (unknown origin) by luminescence assay


J Med Chem 57: 3283-94 (2014)


Article DOI: 10.1021/jm4018064
BindingDB Entry DOI: 10.7270/Q28G8N7Z
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))
BDBM50004765
PNG
(CHEMBL3233739)
Show SMILES Cc1ccc(cc1)-c1[nH][nH]c(=O)c1Cc1c(O)ccc2cc(Br)ccc12
Show InChI InChI=1S/C21H17BrN2O2/c1-12-2-4-13(5-3-12)20-18(21(26)24-23-20)11-17-16-8-7-15(22)10-14(16)6-9-19(17)25/h2-10,25H,11H2,1H3,(H2,23,24,26)
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n/an/a 3.70E+4n/an/an/an/an/an/a



Fred Hutchinson Cancer Research Center

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-6-tagged recombinant human SIRT1 expressed in Escherichia coli BL21(DE3) by luminescence assay


J Med Chem 57: 3283-94 (2014)


Article DOI: 10.1021/jm4018064
BindingDB Entry DOI: 10.7270/Q28G8N7Z
More data for this
Ligand-Target Pair
NAD-dependent histone deacetylase SIR2


(Saccharomyces cerevisiae)
BDBM50146068
PNG
(7-Methoxy-1,2-dihydro-benzo[f]chromen-3-one | CHEM...)
Show SMILES COc1cccc2c3CCC(=O)Oc3ccc12
Show InChI InChI=1S/C14H12O3/c1-16-12-4-2-3-9-10(12)5-7-13-11(9)6-8-14(15)17-13/h2-5,7H,6,8H2,1H3
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n/an/a 3.90E+4n/an/an/an/an/an/a



Fred Hutchinson Cancer Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of sirtuin 2 was evaluated using yeast whole cell lysates


J Med Chem 47: 2635-44 (2004)


Article DOI: 10.1021/jm030473r
BindingDB Entry DOI: 10.7270/Q228071B
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))
BDBM50004764
PNG
(CHEMBL3233733)
Show SMILES Cc1ccc(cc1)-c1[nH][nH]c(=O)c1Cc1c(O)ccc2cc(ccc12)-c1ccccc1
Show InChI InChI=1S/C27H22N2O2/c1-17-7-9-19(10-8-17)26-24(27(31)29-28-26)16-23-22-13-11-20(18-5-3-2-4-6-18)15-21(22)12-14-25(23)30/h2-15,30H,16H2,1H3,(H2,28,29,31)
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n/an/a 4.10E+4n/an/an/an/an/an/a



Fred Hutchinson Cancer Research Center

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-6-tagged recombinant human SIRT1 expressed in Escherichia coli BL21(DE3) by luminescence assay


J Med Chem 57: 3283-94 (2014)


Article DOI: 10.1021/jm4018064
BindingDB Entry DOI: 10.7270/Q28G8N7Z
More data for this
Ligand-Target Pair
NAD-dependent histone deacetylase SIR2


(Saccharomyces cerevisiae)
BDBM50146062
PNG
(9-Methoxy-1,2-dihydro-benzo[f]chromen-3-one | CHEM...)
Show SMILES COc1ccc2ccc3OC(=O)CCc3c2c1
Show InChI InChI=1S/C14H12O3/c1-16-10-4-2-9-3-6-13-11(12(9)8-10)5-7-14(15)17-13/h2-4,6,8H,5,7H2,1H3
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n/an/a 4.10E+4n/an/an/an/an/an/a



Fred Hutchinson Cancer Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of sirtuin 2 was evaluated using yeast whole cell lysates


J Med Chem 47: 2635-44 (2004)


Article DOI: 10.1021/jm030473r
BindingDB Entry DOI: 10.7270/Q228071B
More data for this
Ligand-Target Pair
NAD-dependent histone deacetylase SIR2


(Saccharomyces cerevisiae)
BDBM50146046
PNG
(1-Phenyl-1,2-dihydro-benzo[f]chromen-3-one | 1-phe...)
Show SMILES O=C1CC(c2ccccc2)c2c(O1)ccc1ccccc21
Show InChI InChI=1S/C19H14O2/c20-18-12-16(13-6-2-1-3-7-13)19-15-9-5-4-8-14(15)10-11-17(19)21-18/h1-11,16H,12H2
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n/an/a 4.30E+4n/an/an/an/an/an/a



Fred Hutchinson Cancer Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of sirtuin 2 was evaluated using yeast whole cell lysates


J Med Chem 47: 2635-44 (2004)


Article DOI: 10.1021/jm030473r
BindingDB Entry DOI: 10.7270/Q228071B
More data for this
Ligand-Target Pair
NAD-dependent histone deacetylase SIR2


(Saccharomyces cerevisiae)
BDBM50146069
PNG
(6-Methoxy-1,2-dihydro-benzo[f]chromen-3-one | CHEM...)
Show SMILES COc1cc2OC(=O)CCc2c2ccccc12
Show InChI InChI=1S/C14H12O3/c1-16-12-8-13-11(6-7-14(15)17-13)9-4-2-3-5-10(9)12/h2-5,8H,6-7H2,1H3
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n/an/a 4.40E+4n/an/an/an/an/an/a



Fred Hutchinson Cancer Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of sirtuin 2 was evaluated using yeast whole cell lysates


J Med Chem 47: 2635-44 (2004)


Article DOI: 10.1021/jm030473r
BindingDB Entry DOI: 10.7270/Q228071B
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 5.10E+4n/an/an/an/an/an/a



Fred Hutchinson Cancer Research Center

Curated by ChEMBL


Assay Description
Inhibition of SIRT2 (unknown origin) by luminescence assay


J Med Chem 57: 3283-94 (2014)


Article DOI: 10.1021/jm4018064
BindingDB Entry DOI: 10.7270/Q28G8N7Z
More data for this
Ligand-Target Pair
NAD-dependent histone deacetylase SIR2


(Saccharomyces cerevisiae)
BDBM50146054
PNG
(2-Methyl-1,2-dihydro-benzo[f]chromen-3-one | CHEMB...)
Show SMILES CC1Cc2c(OC1=O)ccc1ccccc21
Show InChI InChI=1S/C14H12O2/c1-9-8-12-11-5-3-2-4-10(11)6-7-13(12)16-14(9)15/h2-7,9H,8H2,1H3
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n/an/a 5.20E+4n/an/an/an/an/an/a



Fred Hutchinson Cancer Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of sirtuin 2 was evaluated using yeast whole cell lysates


J Med Chem 47: 2635-44 (2004)


Article DOI: 10.1021/jm030473r
BindingDB Entry DOI: 10.7270/Q228071B
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 5.60E+4n/an/an/an/an/an/a



Fred Hutchinson Cancer Research Center

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-6-tagged recombinant human SIRT1 expressed in Escherichia coli BL21(DE3) by luminescence assay


J Med Chem 57: 3283-94 (2014)


Article DOI: 10.1021/jm4018064
BindingDB Entry DOI: 10.7270/Q28G8N7Z
More data for this
Ligand-Target Pair
NAD-dependent histone deacetylase SIR2


(Saccharomyces cerevisiae)
BDBM50146060
PNG
(1H-Naphtho[2,1-b]furan-2-one | CHEMBL314020)
Show SMILES O=C1Cc2c(O1)ccc1ccccc21
Show InChI InChI=1S/C12H8O2/c13-12-7-10-9-4-2-1-3-8(9)5-6-11(10)14-12/h1-6H,7H2
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n/an/a 5.90E+4n/an/an/an/an/an/a



Fred Hutchinson Cancer Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of sirtuin 2 was evaluated using yeast whole cell lysates


J Med Chem 47: 2635-44 (2004)


Article DOI: 10.1021/jm030473r
BindingDB Entry DOI: 10.7270/Q228071B
More data for this
Ligand-Target Pair
NAD-dependent histone deacetylase SIR2


(Saccharomyces cerevisiae)
BDBM50146047
PNG
(3,4-Dihydro-benzo[h]chromen-2-one | CHEMBL91528)
Show SMILES O=C1CCc2ccc3ccccc3c2O1
Show InChI InChI=1S/C13H10O2/c14-12-8-7-10-6-5-9-3-1-2-4-11(9)13(10)15-12/h1-6H,7-8H2
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n/an/a 6.50E+4n/an/an/an/an/an/a



Fred Hutchinson Cancer Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of sirtuin 2 was evaluated using yeast whole cell lysates


J Med Chem 47: 2635-44 (2004)


Article DOI: 10.1021/jm030473r
BindingDB Entry DOI: 10.7270/Q228071B
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50004795
PNG
(CHEMBL3233748)
Show SMILES CC(C)c1ccc(cc1)-c1[nH][nH]c(=O)c1Cc1c(O)ccc2nc(Cl)ccc12
Show InChI InChI=1S/C22H20ClN3O2/c1-12(2)13-3-5-14(6-4-13)21-17(22(28)26-25-21)11-16-15-7-10-20(23)24-18(15)8-9-19(16)27/h3-10,12,27H,11H2,1-2H3,(H2,25,26,28)
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n/an/a 6.80E+4n/an/an/an/an/an/a



Fred Hutchinson Cancer Research Center

Curated by ChEMBL


Assay Description
Inhibition of SIRT2 (unknown origin) by luminescence assay


J Med Chem 57: 3283-94 (2014)


Article DOI: 10.1021/jm4018064
BindingDB Entry DOI: 10.7270/Q28G8N7Z
More data for this
Ligand-Target Pair
NAD-dependent histone deacetylase SIR2


(Saccharomyces cerevisiae)
BDBM50146050
PNG
(3,4,9,10-Tetrahydro-1,7-dioxa-chrysene-2,8-dione |...)
Show SMILES O=C1CCc2c(O1)ccc1c3CCC(=O)Oc3ccc21
Show InChI InChI=1S/C16H12O4/c17-15-8-4-12-10-2-6-14-11(3-7-16(18)20-14)9(10)1-5-13(12)19-15/h1-2,5-6H,3-4,7-8H2
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n/an/a 7.00E+4n/an/an/an/an/an/a



Fred Hutchinson Cancer Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of sirtuin 2 was evaluated using yeast whole cell lysates


J Med Chem 47: 2635-44 (2004)


Article DOI: 10.1021/jm030473r
BindingDB Entry DOI: 10.7270/Q228071B
More data for this
Ligand-Target Pair
NAD-dependent histone deacetylase SIR2


(Saccharomyces cerevisiae)
BDBM50146064
PNG
(8-Methoxy-1,2-dihydro-benzo[f]chromen-3-one | CHEM...)
Show SMILES COc1ccc2c3CCC(=O)Oc3ccc2c1
Show InChI InChI=1S/C14H12O3/c1-16-10-3-4-11-9(8-10)2-6-13-12(11)5-7-14(15)17-13/h2-4,6,8H,5,7H2,1H3
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n/an/a 7.30E+4n/an/an/an/an/an/a



Fred Hutchinson Cancer Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of sirtuin 2 was evaluated using yeast whole cell lysates


J Med Chem 47: 2635-44 (2004)


Article DOI: 10.1021/jm030473r
BindingDB Entry DOI: 10.7270/Q228071B
More data for this
Ligand-Target Pair
NAD-dependent histone deacetylase SIR2


(Saccharomyces cerevisiae)
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 7.40E+4n/an/an/an/an/an/a



Fred Hutchinson Cancer Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of sirtuin 2 was evaluated using yeast whole cell lysates


J Med Chem 47: 2635-44 (2004)


Article DOI: 10.1021/jm030473r
BindingDB Entry DOI: 10.7270/Q228071B
More data for this
Ligand-Target Pair
NAD-dependent histone deacetylase SIR2


(Saccharomyces cerevisiae)
BDBM50146059
PNG
(3,4-Dihydro-2H-phenanthren-1-one | CHEMBL88130)
Show SMILES O=C1CCCc2c1ccc1ccccc21
Show InChI InChI=1S/C14H12O/c15-14-7-3-6-12-11-5-2-1-4-10(11)8-9-13(12)14/h1-2,4-5,8-9H,3,6-7H2
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n/an/a 8.10E+4n/an/an/an/an/an/a



Fred Hutchinson Cancer Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of sirtuin 2 was evaluated using yeast whole cell lysates


J Med Chem 47: 2635-44 (2004)


Article DOI: 10.1021/jm030473r
BindingDB Entry DOI: 10.7270/Q228071B
More data for this
Ligand-Target Pair
NAD-dependent histone deacetylase SIR2


(Saccharomyces cerevisiae)
BDBM50146061
PNG
(CHEMBL89585 | {2-[2-(3-Oxo-2,3-dihydro-1H-benzo[f]...)
Show SMILES CC(C)(C)OC(=O)NCCOCCOc1cc2ccccc2c2CCC(=O)Oc12
Show InChI InChI=1S/C22H27NO6/c1-22(2,3)29-21(25)23-10-11-26-12-13-27-18-14-15-6-4-5-7-16(15)17-8-9-19(24)28-20(17)18/h4-7,14H,8-13H2,1-3H3,(H,23,25)
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n/an/a 8.60E+4n/an/an/an/an/an/a



Fred Hutchinson Cancer Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of sirtuin 2 was evaluated using yeast whole cell lysates


J Med Chem 47: 2635-44 (2004)


Article DOI: 10.1021/jm030473r
BindingDB Entry DOI: 10.7270/Q228071B
More data for this
Ligand-Target Pair
NAD-dependent histone deacetylase SIR2


(Saccharomyces cerevisiae)
BDBM50146053
PNG
(Benzo[f]chromen-3-one | CHEMBL424248)
Show SMILES O=c1ccc2c(ccc3ccccc23)o1
Show InChI InChI=1S/C13H8O2/c14-13-8-6-11-10-4-2-1-3-9(10)5-7-12(11)15-13/h1-8H
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n/an/a 8.60E+4n/an/an/an/an/an/a



Fred Hutchinson Cancer Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of sirtuin 2 was evaluated using yeast whole cell lysates


J Med Chem 47: 2635-44 (2004)


Article DOI: 10.1021/jm030473r
BindingDB Entry DOI: 10.7270/Q228071B
More data for this
Ligand-Target Pair
NAD-dependent histone deacetylase SIR2


(Saccharomyces cerevisiae)
BDBM50146049
PNG
(3,4,9,10-Tetrahydro-1,12-dioxa-triphenylene-2,11-d...)
Show SMILES O=C1CCc2c(O1)c1OC(=O)CCc1c1ccccc21
Show InChI InChI=1S/C16H12O4/c17-13-7-5-11-9-3-1-2-4-10(9)12-6-8-14(18)20-16(12)15(11)19-13/h1-4H,5-8H2
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n/an/a 8.90E+4n/an/an/an/an/an/a



Fred Hutchinson Cancer Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of sirtuin 2 was evaluated using yeast whole cell lysates


J Med Chem 47: 2635-44 (2004)


Article DOI: 10.1021/jm030473r
BindingDB Entry DOI: 10.7270/Q228071B
More data for this
Ligand-Target Pair
NAD-dependent histone deacetylase SIR2


(Saccharomyces cerevisiae)
BDBM50146066
PNG
(3-(2-Hydroxy-naphthalen-1-yl)-propionic acid methy...)
Show SMILES COC(=O)CCc1c(O)ccc2ccccc12
Show InChI InChI=1S/C14H14O3/c1-17-14(16)9-7-12-11-5-3-2-4-10(11)6-8-13(12)15/h2-6,8,15H,7,9H2,1H3
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n/an/a 9.70E+4n/an/an/an/an/an/a



Fred Hutchinson Cancer Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of sirtuin 2 was evaluated using yeast whole cell lysates


J Med Chem 47: 2635-44 (2004)


Article DOI: 10.1021/jm030473r
BindingDB Entry DOI: 10.7270/Q228071B
More data for this
Ligand-Target Pair
NAD-dependent histone deacetylase SIR2


(Saccharomyces cerevisiae)
BDBM50146056
PNG
(5-Hydroxy-1,2-dihydro-benzo[f]chromen-3-one | CHEM...)
Show SMILES Oc1cc2ccccc2c2CCC(=O)Oc12
Show InChI InChI=1S/C13H10O3/c14-11-7-8-3-1-2-4-9(8)10-5-6-12(15)16-13(10)11/h1-4,7,14H,5-6H2
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n/an/a 1.11E+5n/an/an/an/an/an/a



Fred Hutchinson Cancer Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of sirtuin 2 was evaluated using yeast whole cell lysates


J Med Chem 47: 2635-44 (2004)


Article DOI: 10.1021/jm030473r
BindingDB Entry DOI: 10.7270/Q228071B
More data for this
Ligand-Target Pair
NAD-dependent histone deacetylase SIR2


(Saccharomyces cerevisiae)
BDBM50146070
PNG
(1,2-benzodihydropyrone | 2-chromanone | 2-hydroxyd...)
Show SMILES O=C1CCc2ccccc2O1
Show InChI InChI=1S/C9H8O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-4H,5-6H2
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n/an/a 1.22E+5n/an/an/an/an/an/a



Fred Hutchinson Cancer Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of sirtuin 2 was evaluated using yeast whole cell lysates


J Med Chem 47: 2635-44 (2004)


Article DOI: 10.1021/jm030473r
BindingDB Entry DOI: 10.7270/Q228071B
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3, mitochondrial


(Homo sapiens (Human))
BDBM50004795
PNG
(CHEMBL3233748)
Show SMILES CC(C)c1ccc(cc1)-c1[nH][nH]c(=O)c1Cc1c(O)ccc2nc(Cl)ccc12
Show InChI InChI=1S/C22H20ClN3O2/c1-12(2)13-3-5-14(6-4-13)21-17(22(28)26-25-21)11-16-15-7-10-20(23)24-18(15)8-9-19(16)27/h3-10,12,27H,11H2,1-2H3,(H2,25,26,28)
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n/an/a 1.22E+5n/an/an/an/an/an/a



Fred Hutchinson Cancer Research Center

Curated by ChEMBL


Assay Description
Inhibition of SIRT3 (unknown origin) by luminescence assay


J Med Chem 57: 3283-94 (2014)


Article DOI: 10.1021/jm4018064
BindingDB Entry DOI: 10.7270/Q28G8N7Z
More data for this
Ligand-Target Pair
NAD-dependent histone deacetylase SIR2


(Saccharomyces cerevisiae)
BDBM50146057
PNG
(CHEMBL313262 | N,N-Diethyl-3-(2-hydroxy-naphthalen...)
Show SMILES CCN(CC)C(=O)CCc1c(O)ccc2ccccc12
Show InChI InChI=1S/C17H21NO2/c1-3-18(4-2)17(20)12-10-15-14-8-6-5-7-13(14)9-11-16(15)19/h5-9,11,19H,3-4,10,12H2,1-2H3
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n/an/a 1.25E+5n/an/an/an/an/an/a



Fred Hutchinson Cancer Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of sirtuin 2 was evaluated using yeast whole cell lysates


J Med Chem 47: 2635-44 (2004)


Article DOI: 10.1021/jm030473r
BindingDB Entry DOI: 10.7270/Q228071B
More data for this
Ligand-Target Pair
NAD-dependent histone deacetylase SIR2


(Saccharomyces cerevisiae)
BDBM50146065
PNG
(3-(2-Hydroxy-naphthalen-1-yl)-propionamide | CHEMB...)
Show SMILES NC(=O)CCc1c(O)ccc2ccccc12
Show InChI InChI=1S/C13H13NO2/c14-13(16)8-6-11-10-4-2-1-3-9(10)5-7-12(11)15/h1-5,7,15H,6,8H2,(H2,14,16)
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n/an/a 1.25E+5n/an/an/an/an/an/a



Fred Hutchinson Cancer Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of sirtuin 2 was evaluated using yeast whole cell lysates


J Med Chem 47: 2635-44 (2004)


Article DOI: 10.1021/jm030473r
BindingDB Entry DOI: 10.7270/Q228071B
More data for this
Ligand-Target Pair
NAD-dependent histone deacetylase SIR2


(Saccharomyces cerevisiae)
BDBM50146055
PNG
(5-Methoxy-1,2-dihydro-benzo[f]chromen-3-one | CHEM...)
Show SMILES COc1cc2ccccc2c2CCC(=O)Oc12
Show InChI InChI=1S/C14H12O3/c1-16-12-8-9-4-2-3-5-10(9)11-6-7-13(15)17-14(11)12/h2-5,8H,6-7H2,1H3
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n/an/a 1.28E+5n/an/an/an/an/an/a



Fred Hutchinson Cancer Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of sirtuin 2 was evaluated using yeast whole cell lysates


J Med Chem 47: 2635-44 (2004)


Article DOI: 10.1021/jm030473r
BindingDB Entry DOI: 10.7270/Q228071B
More data for this
Ligand-Target Pair
NAD-dependent histone deacetylase SIR2


(Saccharomyces cerevisiae)
BDBM50146051
PNG
(6-Hydroxy-1,2-dihydro-benzo[f]chromen-3-one | CHEM...)
Show SMILES Oc1cc2OC(=O)CCc2c2ccccc12
Show InChI InChI=1S/C13H10O3/c14-11-7-12-10(5-6-13(15)16-12)8-3-1-2-4-9(8)11/h1-4,7,14H,5-6H2
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n/an/a 1.31E+5n/an/an/an/an/an/a



Fred Hutchinson Cancer Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of sirtuin 2 was evaluated using yeast whole cell lysates


J Med Chem 47: 2635-44 (2004)


Article DOI: 10.1021/jm030473r
BindingDB Entry DOI: 10.7270/Q228071B
More data for this
Ligand-Target Pair
NAD-dependent histone deacetylase SIR2


(Saccharomyces cerevisiae)
BDBM50146045
PNG
(9-Hydroxy-1,2-dihydro-benzo[f]chromen-3-one | CHEM...)
Show SMILES Oc1ccc2ccc3OC(=O)CCc3c2c1
Show InChI InChI=1S/C13H10O3/c14-9-3-1-8-2-5-12-10(11(8)7-9)4-6-13(15)16-12/h1-3,5,7,14H,4,6H2
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n/an/a 1.34E+5n/an/an/an/an/an/a



Fred Hutchinson Cancer Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of sirtuin 2 was evaluated using yeast whole cell lysates


J Med Chem 47: 2635-44 (2004)


Article DOI: 10.1021/jm030473r
BindingDB Entry DOI: 10.7270/Q228071B
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3, mitochondrial


(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>2.00E+5n/an/an/an/an/an/a



Fred Hutchinson Cancer Research Center

Curated by ChEMBL


Assay Description
Inhibition of SIRT3 (unknown origin) by luminescence assay


J Med Chem 57: 3283-94 (2014)


Article DOI: 10.1021/jm4018064
BindingDB Entry DOI: 10.7270/Q28G8N7Z
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3, mitochondrial


(Homo sapiens (Human))
BDBM50004777
PNG
(CHEMBL3233742)
Show SMILES COc1cc2ccccc2c(Cc2c([nH][nH]c2=O)-c2ccc(C)cc2)c1O
Show InChI InChI=1S/C22H20N2O3/c1-13-7-9-14(10-8-13)20-18(22(26)24-23-20)12-17-16-6-4-3-5-15(16)11-19(27-2)21(17)25/h3-11,25H,12H2,1-2H3,(H2,23,24,26)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Fred Hutchinson Cancer Research Center

Curated by ChEMBL


Assay Description
Inhibition of SIRT3 (unknown origin) by luminescence assay


J Med Chem 57: 3283-94 (2014)


Article DOI: 10.1021/jm4018064
BindingDB Entry DOI: 10.7270/Q28G8N7Z
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50004777
PNG
(CHEMBL3233742)
Show SMILES COc1cc2ccccc2c(Cc2c([nH][nH]c2=O)-c2ccc(C)cc2)c1O
Show InChI InChI=1S/C22H20N2O3/c1-13-7-9-14(10-8-13)20-18(22(26)24-23-20)12-17-16-6-4-3-5-15(16)11-19(27-2)21(17)25/h3-11,25H,12H2,1-2H3,(H2,23,24,26)
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Fred Hutchinson Cancer Research Center

Curated by ChEMBL


Assay Description
Inhibition of SIRT2 (unknown origin) by luminescence assay


J Med Chem 57: 3283-94 (2014)


Article DOI: 10.1021/jm4018064
BindingDB Entry DOI: 10.7270/Q28G8N7Z
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50004765
PNG
(CHEMBL3233739)
Show SMILES Cc1ccc(cc1)-c1[nH][nH]c(=O)c1Cc1c(O)ccc2cc(Br)ccc12
Show InChI InChI=1S/C21H17BrN2O2/c1-12-2-4-13(5-3-12)20-18(21(26)24-23-20)11-17-16-8-7-15(22)10-14(16)6-9-19(17)25/h2-10,25H,11H2,1H3,(H2,23,24,26)
PDB
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n/an/a>2.00E+5n/an/an/an/an/an/a



Fred Hutchinson Cancer Research Center

Curated by ChEMBL


Assay Description
Inhibition of SIRT2 (unknown origin) by luminescence assay


J Med Chem 57: 3283-94 (2014)


Article DOI: 10.1021/jm4018064
BindingDB Entry DOI: 10.7270/Q28G8N7Z
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))
BDBM50004887
PNG
(CHEMBL3233749)
Show SMILES Cc1ccc(cc1)-c1[nH]oc(=O)c1Cc1c(O)ccc2cc(Br)ccc12
Show InChI InChI=1S/C21H16BrNO3/c1-12-2-4-13(5-3-12)20-18(21(25)26-23-20)11-17-16-8-7-15(22)10-14(16)6-9-19(17)24/h2-10,23-24H,11H2,1H3
PDB

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n/an/a>2.00E+5n/an/an/an/an/an/a



Fred Hutchinson Cancer Research Center

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-6-tagged recombinant human SIRT1 expressed in Escherichia coli BL21(DE3) by luminescence assay


J Med Chem 57: 3283-94 (2014)


Article DOI: 10.1021/jm4018064
BindingDB Entry DOI: 10.7270/Q28G8N7Z
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3, mitochondrial


(Homo sapiens (Human))
BDBM50004887
PNG
(CHEMBL3233749)
Show SMILES Cc1ccc(cc1)-c1[nH]oc(=O)c1Cc1c(O)ccc2cc(Br)ccc12
Show InChI InChI=1S/C21H16BrNO3/c1-12-2-4-13(5-3-12)20-18(21(25)26-23-20)11-17-16-8-7-15(22)10-14(16)6-9-19(17)24/h2-10,23-24H,11H2,1H3
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n/an/a>2.00E+5n/an/an/an/an/an/a



Fred Hutchinson Cancer Research Center

Curated by ChEMBL


Assay Description
Inhibition of SIRT3 (unknown origin) by luminescence assay


J Med Chem 57: 3283-94 (2014)


Article DOI: 10.1021/jm4018064
BindingDB Entry DOI: 10.7270/Q28G8N7Z
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3, mitochondrial


(Homo sapiens (Human))
BDBM50004765
PNG
(CHEMBL3233739)
Show SMILES Cc1ccc(cc1)-c1[nH][nH]c(=O)c1Cc1c(O)ccc2cc(Br)ccc12
Show InChI InChI=1S/C21H17BrN2O2/c1-12-2-4-13(5-3-12)20-18(21(26)24-23-20)11-17-16-8-7-15(22)10-14(16)6-9-19(17)25/h2-10,25H,11H2,1H3,(H2,23,24,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



Fred Hutchinson Cancer Research Center

Curated by ChEMBL


Assay Description
Inhibition of SIRT3 (unknown origin) by luminescence assay


J Med Chem 57: 3283-94 (2014)


Article DOI: 10.1021/jm4018064
BindingDB Entry DOI: 10.7270/Q28G8N7Z
More data for this
Ligand-Target Pair