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Compile Data Set for Download or QSAR

Found 186 hits with Last Name = 'tokuda' and Initial = 'n'   
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-2


(Homo sapiens (Human))
BDBM50392055
PNG
(CHEMBL2152621)
Show SMILES NC(=O)c1ccccc1Nc1cccc(OCCc2cccc(F)c2)c1
Show InChI InChI=1S/C21H19FN2O2/c22-16-6-3-5-15(13-16)11-12-26-18-8-4-7-17(14-18)24-20-10-2-1-9-19(20)21(23)25/h1-10,13-14,24H,11-12H2,(H2,23,25)
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n/an/a 570n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 using Fluor de Lys-SIRT as substrate incubated for 60 mins prior to substrate addition measured after 60 mins b...


J Med Chem 55: 5760-73 (2012)


Article DOI: 10.1021/jm3002108
BindingDB Entry DOI: 10.7270/Q2WW7JRS
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50392059
PNG
(CHEMBL2152625)
Show SMILES NC(=O)c1ccccc1Nc1cccc(OCCc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C21H19ClN2O2/c22-16-10-8-15(9-11-16)12-13-26-18-5-3-4-17(14-18)24-20-7-2-1-6-19(20)21(23)25/h1-11,14,24H,12-13H2,(H2,23,25)
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n/an/a 830n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 using Fluor de Lys-SIRT as substrate incubated for 60 mins prior to substrate addition measured after 60 mins b...


J Med Chem 55: 5760-73 (2012)


Article DOI: 10.1021/jm3002108
BindingDB Entry DOI: 10.7270/Q2WW7JRS
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50392111
PNG
(CHEMBL2152613)
Show SMILES NC(=O)c1ccccc1Nc1cccc(OCCc2ccccc2)c1
Show InChI InChI=1S/C21H20N2O2/c22-21(24)19-11-4-5-12-20(19)23-17-9-6-10-18(15-17)25-14-13-16-7-2-1-3-8-16/h1-12,15,23H,13-14H2,(H2,22,24)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 using Fluor de Lys-SIRT as substrate incubated for 60 mins prior to substrate addition measured after 60 mins b...


J Med Chem 55: 5760-73 (2012)


Article DOI: 10.1021/jm3002108
BindingDB Entry DOI: 10.7270/Q2WW7JRS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50392060
PNG
(CHEMBL2152626)
Show SMILES NC(=O)c1ccccc1Nc1cccc(OCCc2ccccc2Br)c1
Show InChI InChI=1S/C21H19BrN2O2/c22-19-10-3-1-6-15(19)12-13-26-17-8-5-7-16(14-17)24-20-11-4-2-9-18(20)21(23)25/h1-11,14,24H,12-13H2,(H2,23,25)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 using Fluor de Lys-SIRT as substrate incubated for 60 mins prior to substrate addition measured after 60 mins b...


J Med Chem 55: 5760-73 (2012)


Article DOI: 10.1021/jm3002108
BindingDB Entry DOI: 10.7270/Q2WW7JRS
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50392062
PNG
(CHEMBL2152628)
Show SMILES NC(=O)c1ccccc1Nc1cccc(OCCc2ccc(Br)cc2)c1
Show InChI InChI=1S/C21H19BrN2O2/c22-16-10-8-15(9-11-16)12-13-26-18-5-3-4-17(14-18)24-20-7-2-1-6-19(20)21(23)25/h1-11,14,24H,12-13H2,(H2,23,25)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 using Fluor de Lys-SIRT as substrate incubated for 60 mins prior to substrate addition measured after 60 mins b...


J Med Chem 55: 5760-73 (2012)


Article DOI: 10.1021/jm3002108
BindingDB Entry DOI: 10.7270/Q2WW7JRS
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50392053
PNG
(CHEMBL2152620)
Show SMILES NC(=O)c1ccccc1Nc1cccc(OCCc2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C22H19F3N2O2/c23-22(24,25)16-10-8-15(9-11-16)12-13-29-18-5-3-4-17(14-18)27-20-7-2-1-6-19(20)21(26)28/h1-11,14,27H,12-13H2,(H2,26,28)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 using Fluor de Lys-SIRT as substrate incubated for 60 mins prior to substrate addition measured after 60 mins b...


J Med Chem 55: 5760-73 (2012)


Article DOI: 10.1021/jm3002108
BindingDB Entry DOI: 10.7270/Q2WW7JRS
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50392057
PNG
(CHEMBL2152623)
Show SMILES NC(=O)c1ccccc1Nc1cccc(OCCc2ccccc2Cl)c1
Show InChI InChI=1S/C21H19ClN2O2/c22-19-10-3-1-6-15(19)12-13-26-17-8-5-7-16(14-17)24-20-11-4-2-9-18(20)21(23)25/h1-11,14,24H,12-13H2,(H2,23,25)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 using Fluor de Lys-SIRT as substrate incubated for 60 mins prior to substrate addition measured after 60 mins b...


J Med Chem 55: 5760-73 (2012)


Article DOI: 10.1021/jm3002108
BindingDB Entry DOI: 10.7270/Q2WW7JRS
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50392115
PNG
(CHEMBL2152617)
Show SMILES Cc1ccc(CCOc2cccc(Nc3ccccc3C(N)=O)c2)cc1
Show InChI InChI=1S/C22H22N2O2/c1-16-9-11-17(12-10-16)13-14-26-19-6-4-5-18(15-19)24-21-8-3-2-7-20(21)22(23)25/h2-12,15,24H,13-14H2,1H3,(H2,23,25)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 using Fluor de Lys-SIRT as substrate incubated for 60 mins prior to substrate addition measured after 60 mins b...


J Med Chem 55: 5760-73 (2012)


Article DOI: 10.1021/jm3002108
BindingDB Entry DOI: 10.7270/Q2WW7JRS
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50392113
PNG
(CHEMBL2152615)
Show SMILES Cc1ccccc1CCOc1cccc(Nc2ccccc2C(N)=O)c1
Show InChI InChI=1S/C22H22N2O2/c1-16-7-2-3-8-17(16)13-14-26-19-10-6-9-18(15-19)24-21-12-5-4-11-20(21)22(23)25/h2-12,15,24H,13-14H2,1H3,(H2,23,25)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 using Fluor de Lys-SIRT as substrate incubated for 60 mins prior to substrate addition measured after 60 mins b...


J Med Chem 55: 5760-73 (2012)


Article DOI: 10.1021/jm3002108
BindingDB Entry DOI: 10.7270/Q2WW7JRS
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50392114
PNG
(CHEMBL2152616)
Show SMILES Cc1cccc(CCOc2cccc(Nc3ccccc3C(N)=O)c2)c1
Show InChI InChI=1S/C22H22N2O2/c1-16-6-4-7-17(14-16)12-13-26-19-9-5-8-18(15-19)24-21-11-3-2-10-20(21)22(23)25/h2-11,14-15,24H,12-13H2,1H3,(H2,23,25)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 using Fluor de Lys-SIRT as substrate incubated for 60 mins prior to substrate addition measured after 60 mins b...


J Med Chem 55: 5760-73 (2012)


Article DOI: 10.1021/jm3002108
BindingDB Entry DOI: 10.7270/Q2WW7JRS
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50392054
PNG
(CHEMBL2151055)
Show SMILES NC(=O)c1ccccc1Nc1cccc(OCCc2ccccc2F)c1
Show InChI InChI=1S/C21H19FN2O2/c22-19-10-3-1-6-15(19)12-13-26-17-8-5-7-16(14-17)24-20-11-4-2-9-18(20)21(23)25/h1-11,14,24H,12-13H2,(H2,23,25)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 using Fluor de Lys-SIRT as substrate incubated for 60 mins prior to substrate addition measured after 60 mins b...


J Med Chem 55: 5760-73 (2012)


Article DOI: 10.1021/jm3002108
BindingDB Entry DOI: 10.7270/Q2WW7JRS
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50392058
PNG
(CHEMBL2152624)
Show SMILES NC(=O)c1ccccc1Nc1cccc(OCCc2cccc(Cl)c2)c1
Show InChI InChI=1S/C21H19ClN2O2/c22-16-6-3-5-15(13-16)11-12-26-18-8-4-7-17(14-18)24-20-10-2-1-9-19(20)21(23)25/h1-10,13-14,24H,11-12H2,(H2,23,25)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 using Fluor de Lys-SIRT as substrate incubated for 60 mins prior to substrate addition measured after 60 mins b...


J Med Chem 55: 5760-73 (2012)


Article DOI: 10.1021/jm3002108
BindingDB Entry DOI: 10.7270/Q2WW7JRS
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50392052
PNG
(CHEMBL2152619)
Show SMILES NC(=O)c1ccccc1Nc1cccc(OCCc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C22H19F3N2O2/c23-22(24,25)16-6-3-5-15(13-16)11-12-29-18-8-4-7-17(14-18)27-20-10-2-1-9-19(20)21(26)28/h1-10,13-14,27H,11-12H2,(H2,26,28)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 using Fluor de Lys-SIRT as substrate incubated for 60 mins prior to substrate addition measured after 60 mins b...


J Med Chem 55: 5760-73 (2012)


Article DOI: 10.1021/jm3002108
BindingDB Entry DOI: 10.7270/Q2WW7JRS
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50392056
PNG
(CHEMBL2152622)
Show SMILES NC(=O)c1ccccc1Nc1cccc(OCCc2ccc(F)cc2)c1
Show InChI InChI=1S/C21H19FN2O2/c22-16-10-8-15(9-11-16)12-13-26-18-5-3-4-17(14-18)24-20-7-2-1-6-19(20)21(23)25/h1-11,14,24H,12-13H2,(H2,23,25)
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n/an/a 2.70E+3n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 using Fluor de Lys-SIRT as substrate incubated for 60 mins prior to substrate addition measured after 60 mins b...


J Med Chem 55: 5760-73 (2012)


Article DOI: 10.1021/jm3002108
BindingDB Entry DOI: 10.7270/Q2WW7JRS
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50392116
PNG
(CHEMBL2152618)
Show SMILES NC(=O)c1ccccc1Nc1cccc(OCCc2ccccc2C(F)(F)F)c1
Show InChI InChI=1S/C22H19F3N2O2/c23-22(24,25)19-10-3-1-6-15(19)12-13-29-17-8-5-7-16(14-17)27-20-11-4-2-9-18(20)21(26)28/h1-11,14,27H,12-13H2,(H2,26,28)
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n/an/a 3.10E+3n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 using Fluor de Lys-SIRT as substrate incubated for 60 mins prior to substrate addition measured after 60 mins b...


J Med Chem 55: 5760-73 (2012)


Article DOI: 10.1021/jm3002108
BindingDB Entry DOI: 10.7270/Q2WW7JRS
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50392061
PNG
(CHEMBL2152627)
Show SMILES NC(=O)c1ccccc1Nc1cccc(OCCc2cccc(Br)c2)c1
Show InChI InChI=1S/C21H19BrN2O2/c22-16-6-3-5-15(13-16)11-12-26-18-8-4-7-17(14-18)24-20-10-2-1-9-19(20)21(23)25/h1-10,13-14,24H,11-12H2,(H2,23,25)
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n/an/a 3.40E+3n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 using Fluor de Lys-SIRT as substrate incubated for 60 mins prior to substrate addition measured after 60 mins b...


J Med Chem 55: 5760-73 (2012)


Article DOI: 10.1021/jm3002108
BindingDB Entry DOI: 10.7270/Q2WW7JRS
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 3.50E+3n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 using Fluor de Lys-SIRT as substrate incubated for 60 mins prior to substrate addition measured after 60 mins b...


J Med Chem 55: 5760-73 (2012)


Article DOI: 10.1021/jm3002108
BindingDB Entry DOI: 10.7270/Q2WW7JRS
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50392112
PNG
(CHEMBL2152614)
Show SMILES NC(=O)c1ccccc1Nc1cccc(OCCCc2ccccc2)c1
Show InChI InChI=1S/C22H22N2O2/c23-22(25)20-13-4-5-14-21(20)24-18-11-6-12-19(16-18)26-15-7-10-17-8-2-1-3-9-17/h1-6,8-9,11-14,16,24H,7,10,15H2,(H2,23,25)
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n/an/a 4.30E+3n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 using Fluor de Lys-SIRT as substrate incubated for 60 mins prior to substrate addition measured after 60 mins b...


J Med Chem 55: 5760-73 (2012)


Article DOI: 10.1021/jm3002108
BindingDB Entry DOI: 10.7270/Q2WW7JRS
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50392111
PNG
(CHEMBL2152613)
Show SMILES NC(=O)c1ccccc1Nc1cccc(OCCc2ccccc2)c1
Show InChI InChI=1S/C21H20N2O2/c22-21(24)19-11-4-5-12-20(19)23-17-9-6-10-18(15-17)25-14-13-16-7-2-1-3-8-16/h1-12,15,23H,13-14H2,(H2,22,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


J Med Chem 55: 5760-73 (2012)


Article DOI: 10.1021/jm3002108
BindingDB Entry DOI: 10.7270/Q2WW7JRS
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50392111
PNG
(CHEMBL2152613)
Show SMILES NC(=O)c1ccccc1Nc1cccc(OCCc2ccccc2)c1
Show InChI InChI=1S/C21H20N2O2/c22-21(24)19-11-4-5-12-20(19)23-17-9-6-10-18(15-17)25-14-13-16-7-2-1-3-8-16/h1-12,15,23H,13-14H2,(H2,22,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


J Med Chem 55: 5760-73 (2012)


Article DOI: 10.1021/jm3002108
BindingDB Entry DOI: 10.7270/Q2WW7JRS
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50392092
PNG
(CHEMBL2152594)
Show SMILES NC(=O)c1ccccc1Nc1ccc(NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C20H17N3O2/c21-19(24)17-8-4-5-9-18(17)22-15-10-12-16(13-11-15)23-20(25)14-6-2-1-3-7-14/h1-13,22H,(H2,21,24)(H,23,25)
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n/an/a 1.70E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 using Fluor de Lys-SIRT as substrate incubated for 60 mins prior to substrate addition measured after 60 mins b...


J Med Chem 55: 5760-73 (2012)


Article DOI: 10.1021/jm3002108
BindingDB Entry DOI: 10.7270/Q2WW7JRS
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50392086
PNG
(CHEMBL2152588)
Show SMILES NC(=O)c1ccccc1Nc1ccc(\C=C/c2ccccc2)cc1
Show InChI InChI=1S/C21H18N2O/c22-21(24)19-8-4-5-9-20(19)23-18-14-12-17(13-15-18)11-10-16-6-2-1-3-7-16/h1-15,23H,(H2,22,24)/b11-10-
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n/an/a 2.00E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 using Fluor de Lys-SIRT as substrate incubated for 60 mins prior to substrate addition measured after 60 mins b...


J Med Chem 55: 5760-73 (2012)


Article DOI: 10.1021/jm3002108
BindingDB Entry DOI: 10.7270/Q2WW7JRS
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50392090
PNG
(CHEMBL2152592)
Show SMILES NC(=O)c1ccccc1Nc1ccc(cc1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C20H17N3O2/c21-19(24)17-8-4-5-9-18(17)22-16-12-10-14(11-13-16)20(25)23-15-6-2-1-3-7-15/h1-13,22H,(H2,21,24)(H,23,25)
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n/an/a 2.30E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 using Fluor de Lys-SIRT as substrate incubated for 60 mins prior to substrate addition measured after 60 mins b...


J Med Chem 55: 5760-73 (2012)


Article DOI: 10.1021/jm3002108
BindingDB Entry DOI: 10.7270/Q2WW7JRS
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50392108
PNG
(CHEMBL2152610)
Show SMILES NC(=O)c1ccccc1Nc1cccc(OCC2CCCCC2)c1
Show InChI InChI=1S/C20H24N2O2/c21-20(23)18-11-4-5-12-19(18)22-16-9-6-10-17(13-16)24-14-15-7-2-1-3-8-15/h4-6,9-13,15,22H,1-3,7-8,14H2,(H2,21,23)
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n/an/a 2.40E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 using Fluor de Lys-SIRT as substrate incubated for 60 mins prior to substrate addition measured after 60 mins b...


J Med Chem 55: 5760-73 (2012)


Article DOI: 10.1021/jm3002108
BindingDB Entry DOI: 10.7270/Q2WW7JRS
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50392095
PNG
(CHEMBL2152597)
Show SMILES NC(=O)c1ccccc1Nc1ccc(NC(=O)C2CCCCC2)cc1
Show InChI InChI=1S/C20H23N3O2/c21-19(24)17-8-4-5-9-18(17)22-15-10-12-16(13-11-15)23-20(25)14-6-2-1-3-7-14/h4-5,8-14,22H,1-3,6-7H2,(H2,21,24)(H,23,25)
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n/an/a 2.50E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 using Fluor de Lys-SIRT as substrate incubated for 60 mins prior to substrate addition measured after 60 mins b...


J Med Chem 55: 5760-73 (2012)


Article DOI: 10.1021/jm3002108
BindingDB Entry DOI: 10.7270/Q2WW7JRS
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50297163
PNG
(2-(3-Phenoxyphenylamino)benzamide | CHEMBL549853)
Show SMILES NC(=O)c1ccccc1Nc1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C19H16N2O2/c20-19(22)17-11-4-5-12-18(17)21-14-7-6-10-16(13-14)23-15-8-2-1-3-9-15/h1-13,21H,(H2,20,22)
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n/an/a 2.50E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 using Fluor de Lys-SIRT as substrate incubated for 60 mins prior to substrate addition measured after 60 mins b...


J Med Chem 55: 5760-73 (2012)


Article DOI: 10.1021/jm3002108
BindingDB Entry DOI: 10.7270/Q2WW7JRS
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50392111
PNG
(CHEMBL2152613)
Show SMILES NC(=O)c1ccccc1Nc1cccc(OCCc2ccccc2)c1
Show InChI InChI=1S/C21H20N2O2/c22-21(24)19-11-4-5-12-20(19)23-17-9-6-10-18(15-17)25-14-13-16-7-2-1-3-8-16/h1-12,15,23H,13-14H2,(H2,22,24)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HDAC4


J Med Chem 55: 5760-73 (2012)


Article DOI: 10.1021/jm3002108
BindingDB Entry DOI: 10.7270/Q2WW7JRS
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50392111
PNG
(CHEMBL2152613)
Show SMILES NC(=O)c1ccccc1Nc1cccc(OCCc2ccccc2)c1
Show InChI InChI=1S/C21H20N2O2/c22-21(24)19-11-4-5-12-20(19)23-17-9-6-10-18(15-17)25-14-13-16-7-2-1-3-8-16/h1-12,15,23H,13-14H2,(H2,22,24)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HDAC3


J Med Chem 55: 5760-73 (2012)


Article DOI: 10.1021/jm3002108
BindingDB Entry DOI: 10.7270/Q2WW7JRS
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50392111
PNG
(CHEMBL2152613)
Show SMILES NC(=O)c1ccccc1Nc1cccc(OCCc2ccccc2)c1
Show InChI InChI=1S/C21H20N2O2/c22-21(24)19-11-4-5-12-20(19)23-17-9-6-10-18(15-17)25-14-13-16-7-2-1-3-8-16/h1-12,15,23H,13-14H2,(H2,22,24)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HDAC5


J Med Chem 55: 5760-73 (2012)


Article DOI: 10.1021/jm3002108
BindingDB Entry DOI: 10.7270/Q2WW7JRS
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50392111
PNG
(CHEMBL2152613)
Show SMILES NC(=O)c1ccccc1Nc1cccc(OCCc2ccccc2)c1
Show InChI InChI=1S/C21H20N2O2/c22-21(24)19-11-4-5-12-20(19)23-17-9-6-10-18(15-17)25-14-13-16-7-2-1-3-8-16/h1-12,15,23H,13-14H2,(H2,22,24)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HDAC6


J Med Chem 55: 5760-73 (2012)


Article DOI: 10.1021/jm3002108
BindingDB Entry DOI: 10.7270/Q2WW7JRS
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50392109
PNG
(CHEMBL2152611)
Show SMILES CC(C)COc1cccc(Nc2ccccc2C(N)=O)c1
Show InChI InChI=1S/C17H20N2O2/c1-12(2)11-21-14-7-5-6-13(10-14)19-16-9-4-3-8-15(16)17(18)20/h3-10,12,19H,11H2,1-2H3,(H2,18,20)
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n/an/a 3.00E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 using Fluor de Lys-SIRT as substrate incubated for 60 mins prior to substrate addition measured after 60 mins b...


J Med Chem 55: 5760-73 (2012)


Article DOI: 10.1021/jm3002108
BindingDB Entry DOI: 10.7270/Q2WW7JRS
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 3.00E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT1 using Fluor de Lys-SIRT as substrate incubated for 60 mins prior to substrate addition measured after 60 mins b...


J Med Chem 55: 5760-73 (2012)


Article DOI: 10.1021/jm3002108
BindingDB Entry DOI: 10.7270/Q2WW7JRS
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50392111
PNG
(CHEMBL2152613)
Show SMILES NC(=O)c1ccccc1Nc1cccc(OCCc2ccccc2)c1
Show InChI InChI=1S/C21H20N2O2/c22-21(24)19-11-4-5-12-20(19)23-17-9-6-10-18(15-17)25-14-13-16-7-2-1-3-8-16/h1-12,15,23H,13-14H2,(H2,22,24)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HDAC8


J Med Chem 55: 5760-73 (2012)


Article DOI: 10.1021/jm3002108
BindingDB Entry DOI: 10.7270/Q2WW7JRS
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50392111
PNG
(CHEMBL2152613)
Show SMILES NC(=O)c1ccccc1Nc1cccc(OCCc2ccccc2)c1
Show InChI InChI=1S/C21H20N2O2/c22-21(24)19-11-4-5-12-20(19)23-17-9-6-10-18(15-17)25-14-13-16-7-2-1-3-8-16/h1-12,15,23H,13-14H2,(H2,22,24)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HDAC9


J Med Chem 55: 5760-73 (2012)


Article DOI: 10.1021/jm3002108
BindingDB Entry DOI: 10.7270/Q2WW7JRS
More data for this
Ligand-Target Pair
Polyamine deacetylase HDAC10


(Homo sapiens (Human))
BDBM50392111
PNG
(CHEMBL2152613)
Show SMILES NC(=O)c1ccccc1Nc1cccc(OCCc2ccccc2)c1
Show InChI InChI=1S/C21H20N2O2/c22-21(24)19-11-4-5-12-20(19)23-17-9-6-10-18(15-17)25-14-13-16-7-2-1-3-8-16/h1-12,15,23H,13-14H2,(H2,22,24)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HDAC10


J Med Chem 55: 5760-73 (2012)


Article DOI: 10.1021/jm3002108
BindingDB Entry DOI: 10.7270/Q2WW7JRS
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50392111
PNG
(CHEMBL2152613)
Show SMILES NC(=O)c1ccccc1Nc1cccc(OCCc2ccccc2)c1
Show InChI InChI=1S/C21H20N2O2/c22-21(24)19-11-4-5-12-20(19)23-17-9-6-10-18(15-17)25-14-13-16-7-2-1-3-8-16/h1-12,15,23H,13-14H2,(H2,22,24)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HDAC11


J Med Chem 55: 5760-73 (2012)


Article DOI: 10.1021/jm3002108
BindingDB Entry DOI: 10.7270/Q2WW7JRS
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50392111
PNG
(CHEMBL2152613)
Show SMILES NC(=O)c1ccccc1Nc1cccc(OCCc2ccccc2)c1
Show InChI InChI=1S/C21H20N2O2/c22-21(24)19-11-4-5-12-20(19)23-17-9-6-10-18(15-17)25-14-13-16-7-2-1-3-8-16/h1-12,15,23H,13-14H2,(H2,22,24)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HDAC7


J Med Chem 55: 5760-73 (2012)


Article DOI: 10.1021/jm3002108
BindingDB Entry DOI: 10.7270/Q2WW7JRS
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50392111
PNG
(CHEMBL2152613)
Show SMILES NC(=O)c1ccccc1Nc1cccc(OCCc2ccccc2)c1
Show InChI InChI=1S/C21H20N2O2/c22-21(24)19-11-4-5-12-20(19)23-17-9-6-10-18(15-17)25-14-13-16-7-2-1-3-8-16/h1-12,15,23H,13-14H2,(H2,22,24)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HDAC2


J Med Chem 55: 5760-73 (2012)


Article DOI: 10.1021/jm3002108
BindingDB Entry DOI: 10.7270/Q2WW7JRS
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50392111
PNG
(CHEMBL2152613)
Show SMILES NC(=O)c1ccccc1Nc1cccc(OCCc2ccccc2)c1
Show InChI InChI=1S/C21H20N2O2/c22-21(24)19-11-4-5-12-20(19)23-17-9-6-10-18(15-17)25-14-13-16-7-2-1-3-8-16/h1-12,15,23H,13-14H2,(H2,22,24)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


J Med Chem 55: 5760-73 (2012)


Article DOI: 10.1021/jm3002108
BindingDB Entry DOI: 10.7270/Q2WW7JRS
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50297164
PNG
(3-[3-(2-Carbamoylphenylamino)phenyl]acrylic acidme...)
Show SMILES COC(=O)\C=C\c1cccc(Nc2ccccc2C(N)=O)c1
Show InChI InChI=1S/C17H16N2O3/c1-22-16(20)10-9-12-5-4-6-13(11-12)19-15-8-3-2-7-14(15)17(18)21/h2-11,19H,1H3,(H2,18,21)/b10-9+
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n/an/a 3.20E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 using Fluor de Lys-SIRT as substrate incubated for 60 mins prior to substrate addition measured after 60 mins b...


J Med Chem 55: 5760-73 (2012)


Article DOI: 10.1021/jm3002108
BindingDB Entry DOI: 10.7270/Q2WW7JRS
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50392074
PNG
(CHEMBL2152577)
Show SMILES NC(=O)c1ccccc1Nc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C20H18N2O2/c21-20(23)18-8-4-5-9-19(18)22-16-10-12-17(13-11-16)24-14-15-6-2-1-3-7-15/h1-13,22H,14H2,(H2,21,23)
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n/an/a 3.30E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 using Fluor de Lys-SIRT as substrate incubated for 60 mins prior to substrate addition measured after 60 mins b...


J Med Chem 55: 5760-73 (2012)


Article DOI: 10.1021/jm3002108
BindingDB Entry DOI: 10.7270/Q2WW7JRS
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50297161
PNG
(2-(Biphenyl-3-ylamino)benzamide | CHEMBL540468)
Show SMILES NC(=O)c1ccccc1Nc1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C19H16N2O/c20-19(22)17-11-4-5-12-18(17)21-16-10-6-9-15(13-16)14-7-2-1-3-8-14/h1-13,21H,(H2,20,22)
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n/an/a 3.30E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 using Fluor de Lys-SIRT as substrate incubated for 60 mins prior to substrate addition measured after 60 mins b...


J Med Chem 55: 5760-73 (2012)


Article DOI: 10.1021/jm3002108
BindingDB Entry DOI: 10.7270/Q2WW7JRS
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50392098
PNG
(CHEMBL2152600)
Show SMILES NC(=O)c1ccccc1Nc1ccc(NC(=O)c2cccnc2)cc1
Show InChI InChI=1S/C19H16N4O2/c20-18(24)16-5-1-2-6-17(16)22-14-7-9-15(10-8-14)23-19(25)13-4-3-11-21-12-13/h1-12,22H,(H2,20,24)(H,23,25)
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n/an/a 3.80E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 using Fluor de Lys-SIRT as substrate incubated for 60 mins prior to substrate addition measured after 60 mins b...


J Med Chem 55: 5760-73 (2012)


Article DOI: 10.1021/jm3002108
BindingDB Entry DOI: 10.7270/Q2WW7JRS
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50392102
PNG
(CHEMBL2152604)
Show SMILES NC(=O)c1ccccc1Nc1cccc(c1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C21H19N3O2/c22-20(25)18-11-4-5-12-19(18)24-17-10-6-9-16(13-17)21(26)23-14-15-7-2-1-3-8-15/h1-13,24H,14H2,(H2,22,25)(H,23,26)
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n/an/a 3.90E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 using Fluor de Lys-SIRT as substrate incubated for 60 mins prior to substrate addition measured after 60 mins b...


J Med Chem 55: 5760-73 (2012)


Article DOI: 10.1021/jm3002108
BindingDB Entry DOI: 10.7270/Q2WW7JRS
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50392103
PNG
(CHEMBL2152605)
Show SMILES CN(Cc1ccccc1)C(=O)c1cccc(Nc2ccccc2C(N)=O)c1
Show InChI InChI=1S/C22H21N3O2/c1-25(15-16-8-3-2-4-9-16)22(27)17-10-7-11-18(14-17)24-20-13-6-5-12-19(20)21(23)26/h2-14,24H,15H2,1H3,(H2,23,26)
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n/an/a 4.00E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 using Fluor de Lys-SIRT as substrate incubated for 60 mins prior to substrate addition measured after 60 mins b...


J Med Chem 55: 5760-73 (2012)


Article DOI: 10.1021/jm3002108
BindingDB Entry DOI: 10.7270/Q2WW7JRS
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))
BDBM50297161
PNG
(2-(Biphenyl-3-ylamino)benzamide | CHEMBL540468)
Show SMILES NC(=O)c1ccccc1Nc1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C19H16N2O/c20-19(22)17-11-4-5-12-18(17)21-16-10-6-9-15(13-16)14-7-2-1-3-8-14/h1-13,21H,(H2,20,22)
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n/an/a 5.20E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT1 using Fluor de Lys-SIRT as substrate incubated for 60 mins prior to substrate addition measured after 60 mins b...


J Med Chem 55: 5760-73 (2012)


Article DOI: 10.1021/jm3002108
BindingDB Entry DOI: 10.7270/Q2WW7JRS
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50392096
PNG
(CHEMBL2152598)
Show SMILES NC(=O)c1ccccc1Nc1ccc(NC(=O)C2CCNCC2)cc1
Show InChI InChI=1S/C19H22N4O2/c20-18(24)16-3-1-2-4-17(16)22-14-5-7-15(8-6-14)23-19(25)13-9-11-21-12-10-13/h1-8,13,21-22H,9-12H2,(H2,20,24)(H,23,25)
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n/an/a 5.30E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 using Fluor de Lys-SIRT as substrate incubated for 60 mins prior to substrate addition measured after 60 mins b...


J Med Chem 55: 5760-73 (2012)


Article DOI: 10.1021/jm3002108
BindingDB Entry DOI: 10.7270/Q2WW7JRS
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50392110
PNG
(CHEMBL2152612)
Show SMILES NC(=O)c1ccccc1Nc1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C20H18N2O2/c21-20(23)18-11-4-5-12-19(18)22-16-9-6-10-17(13-16)24-14-15-7-2-1-3-8-15/h1-13,22H,14H2,(H2,21,23)
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n/an/a 5.40E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 using Fluor de Lys-SIRT as substrate incubated for 60 mins prior to substrate addition measured after 60 mins b...


J Med Chem 55: 5760-73 (2012)


Article DOI: 10.1021/jm3002108
BindingDB Entry DOI: 10.7270/Q2WW7JRS
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))
BDBM50392068
PNG
(CHEMBL2152572)
Show SMILES NC(=O)c1ccccc1Nc1ccc(Cl)cc1
Show InChI InChI=1S/C13H11ClN2O/c14-9-5-7-10(8-6-9)16-12-4-2-1-3-11(12)13(15)17/h1-8,16H,(H2,15,17)
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n/an/a 5.60E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT1 using Fluor de Lys-SIRT as substrate incubated for 60 mins prior to substrate addition measured after 60 mins b...


J Med Chem 55: 5760-73 (2012)


Article DOI: 10.1021/jm3002108
BindingDB Entry DOI: 10.7270/Q2WW7JRS
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))
BDBM50297159
PNG
(2-(phenylamino)benzamide | CHEMBL561194)
Show SMILES NC(=O)c1ccccc1Nc1ccccc1
Show InChI InChI=1S/C13H12N2O/c14-13(16)11-8-4-5-9-12(11)15-10-6-2-1-3-7-10/h1-9,15H,(H2,14,16)
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n/an/a 5.60E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT1 using Fluor de Lys-SIRT as substrate incubated for 60 mins prior to substrate addition measured after 60 mins b...


J Med Chem 55: 5760-73 (2012)


Article DOI: 10.1021/jm3002108
BindingDB Entry DOI: 10.7270/Q2WW7JRS
More data for this
Ligand-Target Pair
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