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Compile Data Set for Download or QSAR

Found 30 hits of ph data with Target = 'NAD-Dependent Deacetylase Sirtuin-1'   
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-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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PubMed
n/an/a 4.07E+4n/an/an/an/a8.037



University of St Andrews



Assay Description
Compounds were tested for inhibition of sirtuin (SIRT1 or SIRT2) using the human recombinant enzyme provided with the Fluor de Lys fluorescence-based...


J Med Chem 52: 2673-82 (2009)


Article DOI: 10.1021/jm8014298
BindingDB Entry DOI: 10.7270/Q2JW8C6T
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM227596
PNG
(AEM2)
Show SMILES O=C(NCc1cccnc1)c1ccc2NC(C3C4CCC(C4)C3c2c1)c1ccccc1
Show InChI InChI=1S/C27H27N3O/c31-27(29-16-17-5-4-12-28-15-17)21-10-11-23-22(14-21)24-19-8-9-20(13-19)25(24)26(30-23)18-6-2-1-3-7-18/h1-7,10-12,14-15,19-20,24-26,30H,8-9,13,16H2,(H,29,31)
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n/an/a>1.00E+5n/an/an/an/a8.037



Universitšt Duisburg-Essen



Assay Description
Deacetylation assays using Boc(Ac)Lys-7-amino-4-methyl-coumarin (MAL; Bachem, Bubendorf, Switzerland) as a substrate were performed in a volume of 20...


J Biol Chem 289: 5208-16 (2014)


Article DOI: 10.1074/jbc.M113.487736
BindingDB Entry DOI: 10.7270/Q2HD7THQ
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM29042
PNG
(cambinol analog, 6b)
Show SMILES Oc1ccc2ccccc2c1Cc1c([nH]c(=S)[nH]c1=O)-c1ccc(Br)cc1
Show InChI InChI=1S/C21H15BrN2O2S/c22-14-8-5-13(6-9-14)19-17(20(26)24-21(27)23-19)11-16-15-4-2-1-3-12(15)7-10-18(16)25/h1-10,25H,11H2,(H2,23,24,26,27)
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n/an/a 1.27E+4n/an/an/an/a8.037



University of St Andrews



Assay Description
Compounds were tested for inhibition of sirtuin (SIRT1 or SIRT2) using the human recombinant enzyme provided with the Fluor de Lys fluorescence-based...


J Med Chem 52: 2673-82 (2009)


Article DOI: 10.1021/jm8014298
BindingDB Entry DOI: 10.7270/Q2JW8C6T
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM29043
PNG
(cambinol analog, 6c)
Show SMILES COc1ccc(cc1)-c1[nH]c(=S)[nH]c(=O)c1Cc1c(O)ccc2ccccc12
Show InChI InChI=1S/C22H18N2O3S/c1-27-15-9-6-14(7-10-15)20-18(21(26)24-22(28)23-20)12-17-16-5-3-2-4-13(16)8-11-19(17)25/h2-11,25H,12H2,1H3,(H2,23,24,26,28)
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n/an/an/an/an/an/an/a8.037



University of St Andrews



Assay Description
Compounds were tested for inhibition of sirtuin (SIRT1 or SIRT2) using the human recombinant enzyme provided with the Fluor de Lys fluorescence-based...


J Med Chem 52: 2673-82 (2009)


Article DOI: 10.1021/jm8014298
BindingDB Entry DOI: 10.7270/Q2JW8C6T
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM29044
PNG
(cambinol analog, 6d)
Show SMILES Oc1ccc(cc1Cc1c([nH]c(=S)[nH]c1=O)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C23H18N2O2S/c26-20-12-11-17(15-7-3-1-4-8-15)13-18(20)14-19-21(16-9-5-2-6-10-16)24-23(28)25-22(19)27/h1-13,26H,14H2,(H2,24,25,27,28)
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n/an/an/an/an/an/an/a8.037



University of St Andrews



Assay Description
Compounds were tested for inhibition of sirtuin (SIRT1 or SIRT2) using the human recombinant enzyme provided with the Fluor de Lys fluorescence-based...


J Med Chem 52: 2673-82 (2009)


Article DOI: 10.1021/jm8014298
BindingDB Entry DOI: 10.7270/Q2JW8C6T
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM29045
PNG
(cambinol analog, 6i)
Show SMILES Cc1ccccc1-c1[nH]c(=S)[nH]c(=O)c1Cc1c(O)ccc2ccccc12
Show InChI InChI=1S/C22H18N2O2S/c1-13-6-2-4-8-15(13)20-18(21(26)24-22(27)23-20)12-17-16-9-5-3-7-14(16)10-11-19(17)25/h2-11,25H,12H2,1H3,(H2,23,24,26,27)
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n/an/a 4.30E+4n/an/an/an/a8.037



University of St Andrews



Assay Description
Compounds were tested for inhibition of sirtuin (SIRT1 or SIRT2) using the human recombinant enzyme provided with the Fluor de Lys fluorescence-based...


J Med Chem 52: 2673-82 (2009)


Article DOI: 10.1021/jm8014298
BindingDB Entry DOI: 10.7270/Q2JW8C6T
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM29046
PNG
(cambinol analog, 6ii)
Show SMILES Cc1cccc(c1)-c1[nH]c(=S)[nH]c(=O)c1Cc1c(O)ccc2ccccc12
Show InChI InChI=1S/C22H18N2O2S/c1-13-5-4-7-15(11-13)20-18(21(26)24-22(27)23-20)12-17-16-8-3-2-6-14(16)9-10-19(17)25/h2-11,25H,12H2,1H3,(H2,23,24,26,27)
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n/an/a 4.42E+4n/an/an/an/a8.037



University of St Andrews



Assay Description
Compounds were tested for inhibition of sirtuin (SIRT1 or SIRT2) using the human recombinant enzyme provided with the Fluor de Lys fluorescence-based...


J Med Chem 52: 2673-82 (2009)


Article DOI: 10.1021/jm8014298
BindingDB Entry DOI: 10.7270/Q2JW8C6T
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM29047
PNG
(cambinol analog, 6iii)
Show SMILES Cc1ccc(cc1)-c1[nH]c(=S)[nH]c(=O)c1Cc1c(O)ccc2ccccc12
Show InChI InChI=1S/C22H18N2O2S/c1-13-6-8-15(9-7-13)20-18(21(26)24-22(27)23-20)12-17-16-5-3-2-4-14(16)10-11-19(17)25/h2-11,25H,12H2,1H3,(H2,23,24,26,27)
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n/an/a 4.45E+4n/an/an/an/a8.037



University of St Andrews



Assay Description
Compounds were tested for inhibition of sirtuin (SIRT1 or SIRT2) using the human recombinant enzyme provided with the Fluor de Lys fluorescence-based...


J Med Chem 52: 2673-82 (2009)


Article DOI: 10.1021/jm8014298
BindingDB Entry DOI: 10.7270/Q2JW8C6T
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM29048
PNG
(cambinol analog, 6iv)
Show SMILES Oc1ccc2ccccc2c1Cc1c([nH]c(=S)[nH]c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H15ClN2O2S/c22-14-8-5-13(6-9-14)19-17(20(26)24-21(27)23-19)11-16-15-4-2-1-3-12(15)7-10-18(16)25/h1-10,25H,11H2,(H2,23,24,26,27)
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n/an/an/an/an/an/an/a8.037



University of St Andrews



Assay Description
Compounds were tested for inhibition of sirtuin (SIRT1 or SIRT2) using the human recombinant enzyme provided with the Fluor de Lys fluorescence-based...


J Med Chem 52: 2673-82 (2009)


Article DOI: 10.1021/jm8014298
BindingDB Entry DOI: 10.7270/Q2JW8C6T
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM29049
PNG
(cambinol analog, 6v)
Show SMILES Oc1ccc2ccccc2c1Cc1c([nH]c(=S)[nH]c1=O)-c1ccc(I)cc1
Show InChI InChI=1S/C21H15IN2O2S/c22-14-8-5-13(6-9-14)19-17(20(26)24-21(27)23-19)11-16-15-4-2-1-3-12(15)7-10-18(16)25/h1-10,25H,11H2,(H2,23,24,26,27)
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n/an/an/an/an/an/an/a8.037



University of St Andrews



Assay Description
Compounds were tested for inhibition of sirtuin (SIRT1 or SIRT2) using the human recombinant enzyme provided with the Fluor de Lys fluorescence-based...


J Med Chem 52: 2673-82 (2009)


Article DOI: 10.1021/jm8014298
BindingDB Entry DOI: 10.7270/Q2JW8C6T
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM29050
PNG
(cambinol analog, 6vi)
Show SMILES Oc1ccc2ccccc2c1Cc1c([nH]c(=S)[nH]c1=O)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H15F3N2O2S/c23-22(24,25)14-8-5-13(6-9-14)19-17(20(29)27-21(30)26-19)11-16-15-4-2-1-3-12(15)7-10-18(16)28/h1-10,28H,11H2,(H2,26,27,29,30)
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n/an/an/an/an/an/an/a8.037



University of St Andrews



Assay Description
Compounds were tested for inhibition of sirtuin (SIRT1 or SIRT2) using the human recombinant enzyme provided with the Fluor de Lys fluorescence-based...


J Med Chem 52: 2673-82 (2009)


Article DOI: 10.1021/jm8014298
BindingDB Entry DOI: 10.7270/Q2JW8C6T
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM29051
PNG
(cambinol analog, 6vii)
Show SMILES Oc1ccc2ccccc2c1Cc1c([nH]c(=S)[nH]c1=O)-c1ccccc1Br
Show InChI InChI=1S/C21H15BrN2O2S/c22-17-8-4-3-7-14(17)19-16(20(26)24-21(27)23-19)11-15-13-6-2-1-5-12(13)9-10-18(15)25/h1-10,25H,11H2,(H2,23,24,26,27)
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n/an/an/an/an/an/an/a8.037



University of St Andrews



Assay Description
Compounds were tested for inhibition of sirtuin (SIRT1 or SIRT2) using the human recombinant enzyme provided with the Fluor de Lys fluorescence-based...


J Med Chem 52: 2673-82 (2009)


Article DOI: 10.1021/jm8014298
BindingDB Entry DOI: 10.7270/Q2JW8C6T
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM29052
PNG
(cambinol analog, 6viii)
Show SMILES Oc1ccc2ccccc2c1Cc1c([nH]c(=S)[nH]c1=O)-c1cccc(Br)c1
Show InChI InChI=1S/C21H15BrN2O2S/c22-14-6-3-5-13(10-14)19-17(20(26)24-21(27)23-19)11-16-15-7-2-1-4-12(15)8-9-18(16)25/h1-10,25H,11H2,(H2,23,24,26,27)
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n/an/an/an/an/an/an/a8.037



University of St Andrews



Assay Description
Compounds were tested for inhibition of sirtuin (SIRT1 or SIRT2) using the human recombinant enzyme provided with the Fluor de Lys fluorescence-based...


J Med Chem 52: 2673-82 (2009)


Article DOI: 10.1021/jm8014298
BindingDB Entry DOI: 10.7270/Q2JW8C6T
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM29053
PNG
(cambinol analog, 6ix)
Show SMILES Oc1ccc2ccccc2c1Cc1c([nH]c(=S)[nH]c1=O)-c1cccc(Cl)c1
Show InChI InChI=1S/C21H15ClN2O2S/c22-14-6-3-5-13(10-14)19-17(20(26)24-21(27)23-19)11-16-15-7-2-1-4-12(15)8-9-18(16)25/h1-10,25H,11H2,(H2,23,24,26,27)
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n/an/an/an/an/an/an/a8.037



University of St Andrews



Assay Description
Compounds were tested for inhibition of sirtuin (SIRT1 or SIRT2) using the human recombinant enzyme provided with the Fluor de Lys fluorescence-based...


J Med Chem 52: 2673-82 (2009)


Article DOI: 10.1021/jm8014298
BindingDB Entry DOI: 10.7270/Q2JW8C6T
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM29054
PNG
(cambinol analog, 6x)
Show SMILES Oc1ccc2ccccc2c1Cc1c([nH]c(=S)[nH]c1=O)-c1ccccc1F
Show InChI InChI=1S/C21H15FN2O2S/c22-17-8-4-3-7-14(17)19-16(20(26)24-21(27)23-19)11-15-13-6-2-1-5-12(13)9-10-18(15)25/h1-10,25H,11H2,(H2,23,24,26,27)
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n/an/a 5.00E+4n/an/an/an/a8.037



University of St Andrews



Assay Description
Compounds were tested for inhibition of sirtuin (SIRT1 or SIRT2) using the human recombinant enzyme provided with the Fluor de Lys fluorescence-based...


J Med Chem 52: 2673-82 (2009)


Article DOI: 10.1021/jm8014298
BindingDB Entry DOI: 10.7270/Q2JW8C6T
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM29055
PNG
(cambinol analog, 6xi)
Show SMILES Oc1ccc2ccccc2c1Cc1c([nH]c(=S)[nH]c1=O)-c1cccc(F)c1
Show InChI InChI=1S/C21H15FN2O2S/c22-14-6-3-5-13(10-14)19-17(20(26)24-21(27)23-19)11-16-15-7-2-1-4-12(15)8-9-18(16)25/h1-10,25H,11H2,(H2,23,24,26,27)
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n/an/a 3.83E+4n/an/an/an/a8.037



University of St Andrews



Assay Description
Compounds were tested for inhibition of sirtuin (SIRT1 or SIRT2) using the human recombinant enzyme provided with the Fluor de Lys fluorescence-based...


J Med Chem 52: 2673-82 (2009)


Article DOI: 10.1021/jm8014298
BindingDB Entry DOI: 10.7270/Q2JW8C6T
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM29056
PNG
(cambinol analog, 6e)
Show SMILES Cn1c(-c2ccccc2)c(Cc2c(O)ccc3ccccc23)c(=O)[nH]c1=S
Show InChI InChI=1S/C22H18N2O2S/c1-24-20(15-8-3-2-4-9-15)18(21(26)23-22(24)27)13-17-16-10-6-5-7-14(16)11-12-19(17)25/h2-12,25H,13H2,1H3,(H,23,26,27)
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n/an/a>9.00E+4n/an/an/an/a8.037



University of St Andrews



Assay Description
Compounds were tested for inhibition of sirtuin (SIRT1 or SIRT2) using the human recombinant enzyme provided with the Fluor de Lys fluorescence-based...


J Med Chem 52: 2673-82 (2009)


Article DOI: 10.1021/jm8014298
BindingDB Entry DOI: 10.7270/Q2JW8C6T
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM29057
PNG
(cambinol analog, 6f)
Show SMILES CCn1c(-c2ccccc2)c(Cc2c(O)ccc3ccccc23)c(=O)[nH]c1=S
Show InChI InChI=1S/C23H20N2O2S/c1-2-25-21(16-9-4-3-5-10-16)19(22(27)24-23(25)28)14-18-17-11-7-6-8-15(17)12-13-20(18)26/h3-13,26H,2,14H2,1H3,(H,24,27,28)
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n/an/an/an/an/an/an/a8.037



University of St Andrews



Assay Description
Compounds were tested for inhibition of sirtuin (SIRT1 or SIRT2) using the human recombinant enzyme provided with the Fluor de Lys fluorescence-based...


J Med Chem 52: 2673-82 (2009)


Article DOI: 10.1021/jm8014298
BindingDB Entry DOI: 10.7270/Q2JW8C6T
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM29058
PNG
(cambinol analog, 6g)
Show SMILES Oc1ccc2ccccc2c1Cc1c(-c2ccccc2)n(CC=C)c(=S)[nH]c1=O
Show InChI InChI=1S/C24H20N2O2S/c1-2-14-26-22(17-9-4-3-5-10-17)20(23(28)25-24(26)29)15-19-18-11-7-6-8-16(18)12-13-21(19)27/h2-13,27H,1,14-15H2,(H,25,28,29)
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n/an/an/an/an/an/an/a8.037



University of St Andrews



Assay Description
Compounds were tested for inhibition of sirtuin (SIRT1 or SIRT2) using the human recombinant enzyme provided with the Fluor de Lys fluorescence-based...


J Med Chem 52: 2673-82 (2009)


Article DOI: 10.1021/jm8014298
BindingDB Entry DOI: 10.7270/Q2JW8C6T
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM29059
PNG
(cambinol analog, 6h)
Show SMILES CCCn1c(-c2ccccc2)c(Cc2c(O)ccc3ccccc23)c(=O)[nH]c1=S
Show InChI InChI=1S/C24H22N2O2S/c1-2-14-26-22(17-9-4-3-5-10-17)20(23(28)25-24(26)29)15-19-18-11-7-6-8-16(18)12-13-21(19)27/h3-13,27H,2,14-15H2,1H3,(H,25,28,29)
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n/an/an/an/an/an/an/a8.037



University of St Andrews



Assay Description
Compounds were tested for inhibition of sirtuin (SIRT1 or SIRT2) using the human recombinant enzyme provided with the Fluor de Lys fluorescence-based...


J Med Chem 52: 2673-82 (2009)


Article DOI: 10.1021/jm8014298
BindingDB Entry DOI: 10.7270/Q2JW8C6T
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM29060
PNG
(cambinol analog, 6j)
Show SMILES CCCCn1c(-c2ccccc2)c(Cc2c(O)ccc3ccccc23)c(=O)[nH]c1=S
Show InChI InChI=1S/C25H24N2O2S/c1-2-3-15-27-23(18-10-5-4-6-11-18)21(24(29)26-25(27)30)16-20-19-12-8-7-9-17(19)13-14-22(20)28/h4-14,28H,2-3,15-16H2,1H3,(H,26,29,30)
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n/an/an/an/an/an/an/a8.037



University of St Andrews



Assay Description
Compounds were tested for inhibition of sirtuin (SIRT1 or SIRT2) using the human recombinant enzyme provided with the Fluor de Lys fluorescence-based...


J Med Chem 52: 2673-82 (2009)


Article DOI: 10.1021/jm8014298
BindingDB Entry DOI: 10.7270/Q2JW8C6T
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50336799
PNG
(5,5',5''-[1,3,6-naphthalenetriyltris(sulfonylimino...)
Show SMILES Cc1ccc(cc1NC(=O)c1cccc(NC(=O)Nc2cccc(c2)C(=O)Nc2cc(ccc2C)C(=O)Nc2ccc(c3cc(cc(c23)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)c1)C(=O)Nc1ccc(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O
Show InChI InChI=1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-24H,1-2H3,(H,54,60)(H,55,61)(H,56,58)(H,57,59)(H2,52,53,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)
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n/an/a 2.62E+3n/an/an/an/a8.0n/a



Ikerchem, S.L.; Universidad del Pais Vasco

US Patent


Assay Description
50 uM of substrate peptide (acetylated AMC-labeled peptide from p53 residues 379-382, RHKKAc, BioMol. Cat. #KI-177), 91 nM of human SIRT1 (full lengt...


US Patent US8835659 (2014)


BindingDB Entry DOI: 10.7270/Q29K48ZN
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM131030
PNG
(US8835659, 11)
Show SMILES Oc1cc(O)c2cc(oc2c1)-c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C14H10O6/c15-7-3-9(16)8-5-12(20-13(8)4-7)6-1-10(17)14(19)11(18)2-6/h1-5,15-19H
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n/an/a 1.84E+3n/an/an/an/a8.0n/a



Ikerchem, S.L.; Universidad del Pais Vasco

US Patent


Assay Description
50 uM of substrate peptide (acetylated AMC-labeled peptide from p53 residues 379-382, RHKKAc, BioMol. Cat. #KI-177), 91 nM of human SIRT1 (full lengt...


US Patent US8835659 (2014)


BindingDB Entry DOI: 10.7270/Q29K48ZN
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM131031
PNG
(US8835659, 13)
Show SMILES Oc1cc(O)c2cc(oc2c1)-c1cc(F)cc(F)c1
Show InChI InChI=1S/C14H8F2O3/c15-8-1-7(2-9(16)3-8)13-6-11-12(18)4-10(17)5-14(11)19-13/h1-6,17-18H
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n/an/a 3.67E+4n/an/an/an/a8.0n/a



Ikerchem, S.L.; Universidad del Pais Vasco

US Patent


Assay Description
50 uM of substrate peptide (acetylated AMC-labeled peptide from p53 residues 379-382, RHKKAc, BioMol. Cat. #KI-177), 91 nM of human SIRT1 (full lengt...


US Patent US8835659 (2014)


BindingDB Entry DOI: 10.7270/Q29K48ZN
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM131032
PNG
(US8835659, 15)
Show SMILES Oc1ccc(cc1)-c1coc2cc(O)cc(O)c12
Show InChI InChI=1S/C14H10O4/c15-9-3-1-8(2-4-9)11-7-18-13-6-10(16)5-12(17)14(11)13/h1-7,15-17H
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n/an/a 2.28E+4n/an/an/an/a8.0n/a



Ikerchem, S.L.; Universidad del Pais Vasco

US Patent


Assay Description
50 uM of substrate peptide (acetylated AMC-labeled peptide from p53 residues 379-382, RHKKAc, BioMol. Cat. #KI-177), 91 nM of human SIRT1 (full lengt...


US Patent US8835659 (2014)


BindingDB Entry DOI: 10.7270/Q29K48ZN
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM131033
PNG
(US8835659, 16)
Show SMILES Oc1cc(O)c2c(coc2c1)-c1cc(F)cc(F)c1
Show InChI InChI=1S/C14H8F2O3/c15-8-1-7(2-9(16)3-8)11-6-19-13-5-10(17)4-12(18)14(11)13/h1-6,17-18H
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n/an/a 2.74E+5n/an/an/an/a8.0n/a



Ikerchem, S.L.; Universidad del Pais Vasco

US Patent


Assay Description
50 uM of substrate peptide (acetylated AMC-labeled peptide from p53 residues 379-382, RHKKAc, BioMol. Cat. #KI-177), 91 nM of human SIRT1 (full lengt...


US Patent US8835659 (2014)


BindingDB Entry DOI: 10.7270/Q29K48ZN
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM131034
PNG
(US8835659, 19)
Show SMILES Oc1cc(O)c2c(coc2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C14H9FO3/c15-9-3-1-8(2-4-9)11-7-18-13-6-10(16)5-12(17)14(11)13/h1-7,16-17H
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n/an/a 1.92E+5n/an/an/an/a8.0n/a



Ikerchem, S.L.; Universidad del Pais Vasco

US Patent


Assay Description
50 uM of substrate peptide (acetylated AMC-labeled peptide from p53 residues 379-382, RHKKAc, BioMol. Cat. #KI-177), 91 nM of human SIRT1 (full lengt...


US Patent US8835659 (2014)


BindingDB Entry DOI: 10.7270/Q29K48ZN
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM131035
PNG
(US8835659, 20)
Show SMILES Oc1cc(O)c2c(c(Br)oc2c1)-c1cc(F)cc(F)c1
Show InChI InChI=1S/C14H7BrF2O3/c15-14-12(6-1-7(16)3-8(17)2-6)13-10(19)4-9(18)5-11(13)20-14/h1-5,18-19H
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n/an/a 7.63E+4n/an/an/an/a8.0n/a



Ikerchem, S.L.; Universidad del Pais Vasco

US Patent


Assay Description
50 uM of substrate peptide (acetylated AMC-labeled peptide from p53 residues 379-382, RHKKAc, BioMol. Cat. #KI-177), 91 nM of human SIRT1 (full lengt...


US Patent US8835659 (2014)


BindingDB Entry DOI: 10.7270/Q29K48ZN
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM227595
PNG
(AEM1)
Show SMILES NC(=O)c1ccc2NC(C3C4CCC(C4)C3c2c1)c1ccccc1
Show InChI InChI=1S/C21H22N2O/c22-21(24)15-8-9-17-16(11-15)18-13-6-7-14(10-13)19(18)20(23-17)12-4-2-1-3-5-12/h1-5,8-9,11,13-14,18-20,23H,6-7,10H2,(H2,22,24)
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n/an/a 1.18E+5n/an/an/an/a8.037



Universitšt Duisburg-Essen



Assay Description
Deacetylation assays using Boc(Ac)Lys-7-amino-4-methyl-coumarin (MAL; Bachem, Bubendorf, Switzerland) as a substrate were performed in a volume of 20...


J Biol Chem 289: 5208-16 (2014)


Article DOI: 10.1074/jbc.M113.487736
BindingDB Entry DOI: 10.7270/Q2HD7THQ
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM29041
PNG
(cambinol analog, 6a)
Show SMILES Oc1ccc2ccccc2c1Cc1c([nH]c(=O)[nH]c1=O)-c1ccccc1
Show InChI InChI=1S/C21H16N2O3/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/an/an/an/an/an/a8.037



University of St Andrews



Assay Description
Compounds were tested for inhibition of sirtuin (SIRT1 or SIRT2) using the human recombinant enzyme provided with the Fluor de Lys fluorescence-based...


J Med Chem 52: 2673-82 (2009)


Article DOI: 10.1021/jm8014298
BindingDB Entry DOI: 10.7270/Q2JW8C6T
More data for this
Ligand-Target Pair