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PubMed code 25275824

Compile data set for download or QSAR
Found 62 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-3 (SIRT3)


(Homo sapiens (Human))
BDBM50030100
PNG
(CHEMBL3343652)
Show SMILES NC(=O)c1cncc(Oc2cccc3c(NC(=O)c4ccccc4)cccc23)c1
Show InChI InChI=1S/C23H17N3O3/c24-22(27)16-12-17(14-25-13-16)29-21-11-5-8-18-19(21)9-4-10-20(18)26-23(28)15-6-2-1-3-7-15/h1-14H,(H2,24,27)(H,26,28)
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PubMed
45n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Competitive inhibition of catalytically active human SIRT3 (102 to 399 amino acids) expressed in Escherichia coli BL21 (DE3) cells using varying (Ac)...


J Med Chem 57: 8340-57 (2014)


Article DOI: 10.1021/jm500777s
BindingDB Entry DOI: 10.7270/Q2KK9DDH
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50030100
PNG
(CHEMBL3343652)
Show SMILES NC(=O)c1cncc(Oc2cccc3c(NC(=O)c4ccccc4)cccc23)c1
Show InChI InChI=1S/C23H17N3O3/c24-22(27)16-12-17(14-25-13-16)29-21-11-5-8-18-19(21)9-4-10-20(18)26-23(28)15-6-2-1-3-7-15/h1-14H,(H2,24,27)(H,26,28)
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131n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of catalytically active human SIRT3 (102 to 399 amino acids) expressed in Escherichia coli BL21 (DE3) cells using (Ac)RHKK(Ac)-AMC substra...


J Med Chem 57: 8340-57 (2014)


Article DOI: 10.1021/jm500777s
BindingDB Entry DOI: 10.7270/Q2KK9DDH
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50030100
PNG
(CHEMBL3343652)
Show SMILES NC(=O)c1cncc(Oc2cccc3c(NC(=O)c4ccccc4)cccc23)c1
Show InChI InChI=1S/C23H17N3O3/c24-22(27)16-12-17(14-25-13-16)29-21-11-5-8-18-19(21)9-4-10-20(18)26-23(28)15-6-2-1-3-7-15/h1-14H,(H2,24,27)(H,26,28)
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165n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Non-competitive inhibition of catalytically active human SIRT3 (102 to 399 amino acids) expressed in Escherichia coli BL21 (DE3) cells using (Ac)RHKK...


J Med Chem 57: 8340-57 (2014)


Article DOI: 10.1021/jm500777s
BindingDB Entry DOI: 10.7270/Q2KK9DDH
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (human))
BDBM50030100
PNG
(CHEMBL3343652)
Show SMILES NC(=O)c1cncc(Oc2cccc3c(NC(=O)c4ccccc4)cccc23)c1
Show InChI InChI=1S/C23H17N3O3/c24-22(27)16-12-17(14-25-13-16)29-21-11-5-8-18-19(21)9-4-10-20(18)26-23(28)15-6-2-1-3-7-15/h1-14H,(H2,24,27)(H,26,28)
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n/an/a 48n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of full length human SIRT2 expressed in Escherichia coli BL21 (DE3) cells using fluorogenic 7-amino-4-methylcoumarin (AMC)-labeled peptide...


J Med Chem 57: 8340-57 (2014)


Article DOI: 10.1021/jm500777s
BindingDB Entry DOI: 10.7270/Q2KK9DDH
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (human))
BDBM50030104
PNG
(CHEMBL3343653)
Show SMILES Cc1ccc(cc1)C(=O)Nc1cccc2c(Oc3cncc(c3)C(N)=O)cccc12
Show InChI InChI=1S/C24H19N3O3/c1-15-8-10-16(11-9-15)24(29)27-21-6-2-5-20-19(21)4-3-7-22(20)30-18-12-17(23(25)28)13-26-14-18/h2-14H,1H3,(H2,25,28)(H,27,29)
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n/an/a 77n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of full length human SIRT2 expressed in Escherichia coli BL21 (DE3) cells using fluorogenic 7-amino-4-methylcoumarin (AMC)-labeled peptide...


J Med Chem 57: 8340-57 (2014)


Article DOI: 10.1021/jm500777s
BindingDB Entry DOI: 10.7270/Q2KK9DDH
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50178769
PNG
((+/-)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-c...)
Show SMILES NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21
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)
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n/an/a 210n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of full length human SIRT1 expressed in Escherichia coli BL21 (DE3) cells using fluorogenic 7-amino-4-methylcoumarin (AMC)-labeled peptide...


J Med Chem 57: 8340-57 (2014)


Article DOI: 10.1021/jm500777s
BindingDB Entry DOI: 10.7270/Q2KK9DDH
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (human))
BDBM50030103
PNG
(CHEMBL3343654)
Show SMILES NC(=O)c1cncc(Oc2cccc3c(NC(=O)c4cccc(c4)[N+]([O-])=O)cccc23)c1
Show InChI InChI=1S/C23H16N4O5/c24-22(28)15-11-17(13-25-12-15)32-21-9-3-6-18-19(21)7-2-8-20(18)26-23(29)14-4-1-5-16(10-14)27(30)31/h1-13H,(H2,24,28)(H,26,29)
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n/an/a 434n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of full length human SIRT2 expressed in Escherichia coli BL21 (DE3) cells using fluorogenic 7-amino-4-methylcoumarin (AMC)-labeled peptide...


J Med Chem 57: 8340-57 (2014)


Article DOI: 10.1021/jm500777s
BindingDB Entry DOI: 10.7270/Q2KK9DDH
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (human))
BDBM50030108
PNG
(CHEMBL3343533)
Show SMILES NC(=O)c1cncc(Oc2ccc3c(NC(=O)c4ccccc4)cccc3c2)c1
Show InChI InChI=1S/C23H17N3O3/c24-22(27)17-12-19(14-25-13-17)29-18-9-10-20-16(11-18)7-4-8-21(20)26-23(28)15-5-2-1-3-6-15/h1-14H,(H2,24,27)(H,26,28)
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n/an/a 436n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of full length human SIRT2 expressed in Escherichia coli BL21 (DE3) cells using fluorogenic 7-amino-4-methylcoumarin (AMC)-labeled peptide...


J Med Chem 57: 8340-57 (2014)


Article DOI: 10.1021/jm500777s
BindingDB Entry DOI: 10.7270/Q2KK9DDH
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (human))
BDBM50030105
PNG
(CHEMBL3343534)
Show SMILES Cc1ccc(cc1)C(=O)Nc1cccc2cc(Oc3cncc(c3)C(N)=O)ccc12
Show InChI InChI=1S/C24H19N3O3/c1-15-5-7-16(8-6-15)24(29)27-22-4-2-3-17-11-19(9-10-21(17)22)30-20-12-18(23(25)28)13-26-14-20/h2-14H,1H3,(H2,25,28)(H,27,29)
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n/an/a 489n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of full length human SIRT2 expressed in Escherichia coli BL21 (DE3) cells using fluorogenic 7-amino-4-methylcoumarin (AMC)-labeled peptide...


J Med Chem 57: 8340-57 (2014)


Article DOI: 10.1021/jm500777s
BindingDB Entry DOI: 10.7270/Q2KK9DDH
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (human))
BDBM50030101
PNG
(CHEMBL3343656)
Show SMILES NC(=O)c1cncc(Oc2cccc3c(NC(=O)c4cccnc4)cccc23)c1
Show InChI InChI=1S/C22H16N4O3/c23-21(27)15-10-16(13-25-12-15)29-20-8-2-5-17-18(20)6-1-7-19(17)26-22(28)14-4-3-9-24-11-14/h1-13H,(H2,23,27)(H,26,28)
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n/an/a 558n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of full length human SIRT2 expressed in Escherichia coli BL21 (DE3) cells using fluorogenic 7-amino-4-methylcoumarin (AMC)-labeled peptide...


J Med Chem 57: 8340-57 (2014)


Article DOI: 10.1021/jm500777s
BindingDB Entry DOI: 10.7270/Q2KK9DDH
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50030109
PNG
(CHEMBL3343532)
Show SMILES Cc1ccc(cc1[N+]([O-])=O)C(=O)Nc1cccc2cc(Oc3cncc(c3)C(N)=O)ccc12
Show InChI InChI=1S/C24H18N4O5/c1-14-5-6-16(11-22(14)28(31)32)24(30)27-21-4-2-3-15-9-18(7-8-20(15)21)33-19-10-17(23(25)29)12-26-13-19/h2-13H,1H3,(H2,25,29)(H,27,30)
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n/an/a 788n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of full length human SIRT1 expressed in Escherichia coli BL21 (DE3) cells using fluorogenic 7-amino-4-methylcoumarin (AMC)-labeled peptide...


J Med Chem 57: 8340-57 (2014)


Article DOI: 10.1021/jm500777s
BindingDB Entry DOI: 10.7270/Q2KK9DDH
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (human))
BDBM50030106
PNG
(CHEMBL3343535)
Show SMILES NC(=O)c1cncc(Oc2ccc3c(NC(=O)c4cccc(c4)[N+]([O-])=O)cccc3c2)c1
Show InChI InChI=1S/C23H16N4O5/c24-22(28)16-11-19(13-25-12-16)32-18-7-8-20-14(10-18)3-2-6-21(20)26-23(29)15-4-1-5-17(9-15)27(30)31/h1-13H,(H2,24,28)(H,26,29)
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n/an/a 811n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of full length human SIRT2 expressed in Escherichia coli BL21 (DE3) cells using fluorogenic 7-amino-4-methylcoumarin (AMC)-labeled peptide...


J Med Chem 57: 8340-57 (2014)


Article DOI: 10.1021/jm500777s
BindingDB Entry DOI: 10.7270/Q2KK9DDH
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (human))
BDBM50030109
PNG
(CHEMBL3343532)
Show SMILES Cc1ccc(cc1[N+]([O-])=O)C(=O)Nc1cccc2cc(Oc3cncc(c3)C(N)=O)ccc12
Show InChI InChI=1S/C24H18N4O5/c1-14-5-6-16(11-22(14)28(31)32)24(30)27-21-4-2-3-15-9-18(7-8-20(15)21)33-19-10-17(23(25)29)12-26-13-19/h2-13H,1H3,(H2,25,29)(H,27,30)
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n/an/a 869n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of full length human SIRT2 expressed in Escherichia coli BL21 (DE3) cells using fluorogenic 7-amino-4-methylcoumarin (AMC)-labeled peptide...


J Med Chem 57: 8340-57 (2014)


Article DOI: 10.1021/jm500777s
BindingDB Entry DOI: 10.7270/Q2KK9DDH
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (human))
BDBM50030102
PNG
(CHEMBL3343655)
Show SMILES NC(=O)c1cncc(Oc2cccc3c(NC(=O)c4ccncc4)cccc23)c1
Show InChI InChI=1S/C22H16N4O3/c23-21(27)15-11-16(13-25-12-15)29-20-6-2-3-17-18(20)4-1-5-19(17)26-22(28)14-7-9-24-10-8-14/h1-13H,(H2,23,27)(H,26,28)
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n/an/a 955n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of full length human SIRT2 expressed in Escherichia coli BL21 (DE3) cells using fluorogenic 7-amino-4-methylcoumarin (AMC)-labeled peptide...


J Med Chem 57: 8340-57 (2014)


Article DOI: 10.1021/jm500777s
BindingDB Entry DOI: 10.7270/Q2KK9DDH
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (human))
BDBM50030107
PNG
(CHEMBL3343651)
Show SMILES Cc1ccc(cc1[N+]([O-])=O)C(=O)Nc1cccc2c(Oc3cncc(c3)C(N)=O)cccc12
Show InChI InChI=1S/C24H18N4O5/c1-14-8-9-15(11-21(14)28(31)32)24(30)27-20-6-2-5-19-18(20)4-3-7-22(19)33-17-10-16(23(25)29)12-26-13-17/h2-13H,1H3,(H2,25,29)(H,27,30)
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n/an/a 978n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of full length human SIRT2 expressed in Escherichia coli BL21 (DE3) cells using fluorogenic 7-amino-4-methylcoumarin (AMC)-labeled peptide...


J Med Chem 57: 8340-57 (2014)


Article DOI: 10.1021/jm500777s
BindingDB Entry DOI: 10.7270/Q2KK9DDH
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (human))
BDBM50216689
PNG
(2-cyano-3-(5-(2,5-dichlorophenyl)furan-2-yl)-N-(qu...)
Show SMILES Clc1ccc(Cl)c(c1)-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1
Show InChI InChI=1S/C23H13Cl2N3O2/c24-15-6-8-19(25)18(12-15)22-9-7-16(30-22)11-14(13-26)23(29)28-21-5-1-4-20-17(21)3-2-10-27-20/h1-12H,(H,28,29)/b14-11+
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n/an/a 1.56E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of full length human SIRT2 expressed in Escherichia coli BL21 (DE3) cells using fluorogenic 7-amino-4-methylcoumarin (AMC)-labeled peptide...


J Med Chem 57: 8340-57 (2014)


Article DOI: 10.1021/jm500777s
BindingDB Entry DOI: 10.7270/Q2KK9DDH
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (human))
BDBM50178769
PNG
((+/-)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-c...)
Show SMILES NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21
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)
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n/an/a 1.94E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of full length human SIRT2 expressed in Escherichia coli BL21 (DE3) cells using fluorogenic 7-amino-4-methylcoumarin (AMC)-labeled peptide...


J Med Chem 57: 8340-57 (2014)


Article DOI: 10.1021/jm500777s
BindingDB Entry DOI: 10.7270/Q2KK9DDH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50030169
PNG
(CHEMBL3343525)
Show SMILES NC(=O)c1cncc(Oc2ccc3ccccc3c2)c1
Show InChI InChI=1S/C16H12N2O2/c17-16(19)13-8-15(10-18-9-13)20-14-6-5-11-3-1-2-4-12(11)7-14/h1-10H,(H2,17,19)
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n/an/a 2.14E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of catalytically active human SIRT3 (102 to 399 amino acids) expressed in Escherichia coli BL21 (DE3) cells using fluorogenic 7-amino-4-me...


J Med Chem 57: 8340-57 (2014)


Article DOI: 10.1021/jm500777s
BindingDB Entry DOI: 10.7270/Q2KK9DDH
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50030105
PNG
(CHEMBL3343534)
Show SMILES Cc1ccc(cc1)C(=O)Nc1cccc2cc(Oc3cncc(c3)C(N)=O)ccc12
Show InChI InChI=1S/C24H19N3O3/c1-15-5-7-16(8-6-15)24(29)27-22-4-2-3-17-11-19(9-10-21(17)22)30-20-12-18(23(25)28)13-26-14-20/h2-14H,1H3,(H2,25,28)(H,27,29)
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n/an/a 3.82E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of full length human SIRT1 expressed in Escherichia coli BL21 (DE3) cells using fluorogenic 7-amino-4-methylcoumarin (AMC)-labeled peptide...


J Med Chem 57: 8340-57 (2014)


Article DOI: 10.1021/jm500777s
BindingDB Entry DOI: 10.7270/Q2KK9DDH
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (human))
BDBM50030151
PNG
(CHEMBL3343523)
Show SMILES NC(=O)c1cncc(Nc2ccc3ccccc3c2)c1
Show InChI InChI=1S/C16H13N3O/c17-16(20)13-8-15(10-18-9-13)19-14-6-5-11-3-1-2-4-12(11)7-14/h1-10,19H,(H2,17,20)
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n/an/a 4.30E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of full length human SIRT2 expressed in Escherichia coli BL21 (DE3) cells using fluorogenic 7-amino-4-methylcoumarin (AMC)-labeled peptide...


J Med Chem 57: 8340-57 (2014)


Article DOI: 10.1021/jm500777s
BindingDB Entry DOI: 10.7270/Q2KK9DDH
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50030109
PNG
(CHEMBL3343532)
Show SMILES Cc1ccc(cc1[N+]([O-])=O)C(=O)Nc1cccc2cc(Oc3cncc(c3)C(N)=O)ccc12
Show InChI InChI=1S/C24H18N4O5/c1-14-5-6-16(11-22(14)28(31)32)24(30)27-21-4-2-3-15-9-18(7-8-20(15)21)33-19-10-17(23(25)29)12-26-13-19/h2-13H,1H3,(H2,25,29)(H,27,30)
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n/an/a 4.37E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of catalytically active human SIRT3 (102 to 399 amino acids) expressed in Escherichia coli BL21 (DE3) cells using fluorogenic 7-amino-4-me...


J Med Chem 57: 8340-57 (2014)


Article DOI: 10.1021/jm500777s
BindingDB Entry DOI: 10.7270/Q2KK9DDH
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50030111
PNG
(CHEMBL3343530)
Show SMILES NC(=O)c1cncc(Oc2cccc3ccccc23)c1
Show InChI InChI=1S/C16H12N2O2/c17-16(19)12-8-13(10-18-9-12)20-15-7-3-5-11-4-1-2-6-14(11)15/h1-10H,(H2,17,19)
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n/an/a 4.89E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of full length human SIRT1 expressed in Escherichia coli BL21 (DE3) cells using fluorogenic 7-amino-4-methylcoumarin (AMC)-labeled peptide...


J Med Chem 57: 8340-57 (2014)


Article DOI: 10.1021/jm500777s
BindingDB Entry DOI: 10.7270/Q2KK9DDH
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM27507
PNG
(3-Pyridinecarboxamide | CHEMBL1140 | NAM | niacina...)
Show SMILES NC(=O)c1cccnc1
Show InChI InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)
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n/an/a 6.20E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of catalytically active human SIRT3 (102 to 399 amino acids) expressed in Escherichia coli BL21 (DE3) cells using fluorogenic 7-amino-4-me...


J Med Chem 57: 8340-57 (2014)


Article DOI: 10.1021/jm500777s
BindingDB Entry DOI: 10.7270/Q2KK9DDH
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (human))
BDBM50030169
PNG
(CHEMBL3343525)
Show SMILES NC(=O)c1cncc(Oc2ccc3ccccc3c2)c1
Show InChI InChI=1S/C16H12N2O2/c17-16(19)13-8-15(10-18-9-13)20-14-6-5-11-3-1-2-4-12(11)7-14/h1-10H,(H2,17,19)
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n/an/a 6.29E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of full length human SIRT2 expressed in Escherichia coli BL21 (DE3) cells using fluorogenic 7-amino-4-methylcoumarin (AMC)-labeled peptide...


J Med Chem 57: 8340-57 (2014)


Article DOI: 10.1021/jm500777s
BindingDB Entry DOI: 10.7270/Q2KK9DDH
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (human))
BDBM50030111
PNG
(CHEMBL3343530)
Show SMILES NC(=O)c1cncc(Oc2cccc3ccccc23)c1
Show InChI InChI=1S/C16H12N2O2/c17-16(19)12-8-13(10-18-9-12)20-15-7-3-5-11-4-1-2-6-14(11)15/h1-10H,(H2,17,19)
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n/an/a 7.57E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of full length human SIRT2 expressed in Escherichia coli BL21 (DE3) cells using fluorogenic 7-amino-4-methylcoumarin (AMC)-labeled peptide...


J Med Chem 57: 8340-57 (2014)


Article DOI: 10.1021/jm500777s
BindingDB Entry DOI: 10.7270/Q2KK9DDH
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50030110
PNG
(CHEMBL3343528)
Show SMILES NC(=O)c1cncc(Nc2cccc3ccccc23)c1
Show InChI InChI=1S/C16H13N3O/c17-16(20)12-8-13(10-18-9-12)19-15-7-3-5-11-4-1-2-6-14(11)15/h1-10,19H,(H2,17,20)
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n/an/a 9.00E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of catalytically active human SIRT3 (102 to 399 amino acids) expressed in Escherichia coli BL21 (DE3) cells using fluorogenic 7-amino-4-me...


J Med Chem 57: 8340-57 (2014)


Article DOI: 10.1021/jm500777s
BindingDB Entry DOI: 10.7270/Q2KK9DDH
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (human))
BDBM50030110
PNG
(CHEMBL3343528)
Show SMILES NC(=O)c1cncc(Nc2cccc3ccccc23)c1
Show InChI InChI=1S/C16H13N3O/c17-16(20)12-8-13(10-18-9-12)19-15-7-3-5-11-4-1-2-6-14(11)15/h1-10,19H,(H2,17,20)
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n/an/a 9.70E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of full length human SIRT2 expressed in Escherichia coli BL21 (DE3) cells using fluorogenic 7-amino-4-methylcoumarin (AMC)-labeled peptide...


J Med Chem 57: 8340-57 (2014)


Article DOI: 10.1021/jm500777s
BindingDB Entry DOI: 10.7270/Q2KK9DDH
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (human))
BDBM50030149
PNG
(CHEMBL3343531)
Show SMILES NC(=O)c1cncc(Sc2cccc3ccccc23)c1
Show InChI InChI=1S/C16H12N2OS/c17-16(19)12-8-13(10-18-9-12)20-15-7-3-5-11-4-1-2-6-14(11)15/h1-10H,(H2,17,19)
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n/an/a 9.80E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of full length human SIRT2 expressed in Escherichia coli BL21 (DE3) cells using fluorogenic 7-amino-4-methylcoumarin (AMC)-labeled peptide...


J Med Chem 57: 8340-57 (2014)


Article DOI: 10.1021/jm500777s
BindingDB Entry DOI: 10.7270/Q2KK9DDH
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50030106
PNG
(CHEMBL3343535)
Show SMILES NC(=O)c1cncc(Oc2ccc3c(NC(=O)c4cccc(c4)[N+]([O-])=O)cccc3c2)c1
Show InChI InChI=1S/C23H16N4O5/c24-22(28)16-11-19(13-25-12-16)32-18-7-8-20-14(10-18)3-2-6-21(20)26-23(29)15-4-1-5-17(9-15)27(30)31/h1-13H,(H2,24,28)(H,26,29)
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n/an/a 1.04E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of catalytically active human SIRT3 (102 to 399 amino acids) expressed in Escherichia coli BL21 (DE3) cells using fluorogenic 7-amino-4-me...


J Med Chem 57: 8340-57 (2014)


Article DOI: 10.1021/jm500777s
BindingDB Entry DOI: 10.7270/Q2KK9DDH
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (human))
BDBM27507
PNG
(3-Pyridinecarboxamide | CHEMBL1140 | NAM | niacina...)
Show SMILES NC(=O)c1cccnc1
Show InChI InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)
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n/an/a 1.05E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of full length human SIRT2 expressed in Escherichia coli BL21 (DE3) cells using fluorogenic 7-amino-4-methylcoumarin (AMC)-labeled peptide...


J Med Chem 57: 8340-57 (2014)


Article DOI: 10.1021/jm500777s
BindingDB Entry DOI: 10.7270/Q2KK9DDH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50030106
PNG
(CHEMBL3343535)
Show SMILES NC(=O)c1cncc(Oc2ccc3c(NC(=O)c4cccc(c4)[N+]([O-])=O)cccc3c2)c1
Show InChI InChI=1S/C23H16N4O5/c24-22(28)16-11-19(13-25-12-16)32-18-7-8-20-14(10-18)3-2-6-21(20)26-23(29)15-4-1-5-17(9-15)27(30)31/h1-13H,(H2,24,28)(H,26,29)
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n/an/a 1.17E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of full length human SIRT1 expressed in Escherichia coli BL21 (DE3) cells using fluorogenic 7-amino-4-methylcoumarin (AMC)-labeled peptide...


J Med Chem 57: 8340-57 (2014)


Article DOI: 10.1021/jm500777s
BindingDB Entry DOI: 10.7270/Q2KK9DDH
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50030100
PNG
(CHEMBL3343652)
Show SMILES NC(=O)c1cncc(Oc2cccc3c(NC(=O)c4ccccc4)cccc23)c1
Show InChI InChI=1S/C23H17N3O3/c24-22(27)16-12-17(14-25-13-16)29-21-11-5-8-18-19(21)9-4-10-20(18)26-23(28)15-6-2-1-3-7-15/h1-14H,(H2,24,27)(H,26,28)
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n/an/a 1.20E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of full length human SIRT1 expressed in Escherichia coli BL21 (DE3) cells using fluorogenic 7-amino-4-methylcoumarin (AMC)-labeled peptide...


J Med Chem 57: 8340-57 (2014)


Article DOI: 10.1021/jm500777s
BindingDB Entry DOI: 10.7270/Q2KK9DDH
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (human))
BDBM50030172
PNG
(CHEMBL3343526)
Show SMILES NC(=O)c1cncc(Sc2ccc3ccccc3c2)c1
Show InChI InChI=1S/C16H12N2OS/c17-16(19)13-8-15(10-18-9-13)20-14-6-5-11-3-1-2-4-12(11)7-14/h1-10H,(H2,17,19)
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n/an/a 1.21E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of full length human SIRT2 expressed in Escherichia coli BL21 (DE3) cells using fluorogenic 7-amino-4-methylcoumarin (AMC)-labeled peptide...


J Med Chem 57: 8340-57 (2014)


Article DOI: 10.1021/jm500777s
BindingDB Entry DOI: 10.7270/Q2KK9DDH
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50030151
PNG
(CHEMBL3343523)
Show SMILES NC(=O)c1cncc(Nc2ccc3ccccc3c2)c1
Show InChI InChI=1S/C16H13N3O/c17-16(20)13-8-15(10-18-9-13)19-14-6-5-11-3-1-2-4-12(11)7-14/h1-10,19H,(H2,17,20)
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n/an/a 1.23E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of catalytically active human SIRT3 (102 to 399 amino acids) expressed in Escherichia coli BL21 (DE3) cells using fluorogenic 7-amino-4-me...


J Med Chem 57: 8340-57 (2014)


Article DOI: 10.1021/jm500777s
BindingDB Entry DOI: 10.7270/Q2KK9DDH
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50030169
PNG
(CHEMBL3343525)
Show SMILES NC(=O)c1cncc(Oc2ccc3ccccc3c2)c1
Show InChI InChI=1S/C16H12N2O2/c17-16(19)13-8-15(10-18-9-13)20-14-6-5-11-3-1-2-4-12(11)7-14/h1-10H,(H2,17,19)
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n/an/a 1.35E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of full length human SIRT1 expressed in Escherichia coli BL21 (DE3) cells using fluorogenic 7-amino-4-methylcoumarin (AMC)-labeled peptide...


J Med Chem 57: 8340-57 (2014)


Article DOI: 10.1021/jm500777s
BindingDB Entry DOI: 10.7270/Q2KK9DDH
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50030102
PNG
(CHEMBL3343655)
Show SMILES NC(=O)c1cncc(Oc2cccc3c(NC(=O)c4ccncc4)cccc23)c1
Show InChI InChI=1S/C22H16N4O3/c23-21(27)15-11-16(13-25-12-15)29-20-6-2-3-17-18(20)4-1-5-19(17)26-22(28)14-7-9-24-10-8-14/h1-13H,(H2,23,27)(H,26,28)
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n/an/a 1.54E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of full length human SIRT1 expressed in Escherichia coli BL21 (DE3) cells using fluorogenic 7-amino-4-methylcoumarin (AMC)-labeled peptide...


J Med Chem 57: 8340-57 (2014)


Article DOI: 10.1021/jm500777s
BindingDB Entry DOI: 10.7270/Q2KK9DDH
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50030111
PNG
(CHEMBL3343530)
Show SMILES NC(=O)c1cncc(Oc2cccc3ccccc23)c1
Show InChI InChI=1S/C16H12N2O2/c17-16(19)12-8-13(10-18-9-12)20-15-7-3-5-11-4-1-2-6-14(11)15/h1-10H,(H2,17,19)
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n/an/a 1.66E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of catalytically active human SIRT3 (102 to 399 amino acids) expressed in Escherichia coli BL21 (DE3) cells using fluorogenic 7-amino-4-me...


J Med Chem 57: 8340-57 (2014)


Article DOI: 10.1021/jm500777s
BindingDB Entry DOI: 10.7270/Q2KK9DDH
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50030108
PNG
(CHEMBL3343533)
Show SMILES NC(=O)c1cncc(Oc2ccc3c(NC(=O)c4ccccc4)cccc3c2)c1
Show InChI InChI=1S/C23H17N3O3/c24-22(27)17-12-19(14-25-13-17)29-18-9-10-20-16(11-18)7-4-8-21(20)26-23(28)15-5-2-1-3-6-15/h1-14H,(H2,24,27)(H,26,28)
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n/an/a 1.83E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of catalytically active human SIRT3 (102 to 399 amino acids) expressed in Escherichia coli BL21 (DE3) cells using fluorogenic 7-amino-4-me...


J Med Chem 57: 8340-57 (2014)


Article DOI: 10.1021/jm500777s
BindingDB Entry DOI: 10.7270/Q2KK9DDH
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50030104
PNG
(CHEMBL3343653)
Show SMILES Cc1ccc(cc1)C(=O)Nc1cccc2c(Oc3cncc(c3)C(N)=O)cccc12
Show InChI InChI=1S/C24H19N3O3/c1-15-8-10-16(11-9-15)24(29)27-21-6-2-5-20-19(21)4-3-7-22(20)30-18-12-17(23(25)28)13-26-14-18/h2-14H,1H3,(H2,25,28)(H,27,29)
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n/an/a 1.87E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of full length human SIRT1 expressed in Escherichia coli BL21 (DE3) cells using fluorogenic 7-amino-4-methylcoumarin (AMC)-labeled peptide...


J Med Chem 57: 8340-57 (2014)


Article DOI: 10.1021/jm500777s
BindingDB Entry DOI: 10.7270/Q2KK9DDH
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50030103
PNG
(CHEMBL3343654)
Show SMILES NC(=O)c1cncc(Oc2cccc3c(NC(=O)c4cccc(c4)[N+]([O-])=O)cccc23)c1
Show InChI InChI=1S/C23H16N4O5/c24-22(28)15-11-17(13-25-12-15)32-21-9-3-6-18-19(21)7-2-8-20(18)26-23(29)14-4-1-5-16(10-14)27(30)31/h1-13H,(H2,24,28)(H,26,29)
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n/an/a 1.93E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of catalytically active human SIRT3 (102 to 399 amino acids) expressed in Escherichia coli BL21 (DE3) cells using fluorogenic 7-amino-4-me...


J Med Chem 57: 8340-57 (2014)


Article DOI: 10.1021/jm500777s
BindingDB Entry DOI: 10.7270/Q2KK9DDH
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50030108
PNG
(CHEMBL3343533)
Show SMILES NC(=O)c1cncc(Oc2ccc3c(NC(=O)c4ccccc4)cccc3c2)c1
Show InChI InChI=1S/C23H17N3O3/c24-22(27)17-12-19(14-25-13-17)29-18-9-10-20-16(11-18)7-4-8-21(20)26-23(28)15-5-2-1-3-6-15/h1-14H,(H2,24,27)(H,26,28)
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n/an/a 2.24E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of full length human SIRT1 expressed in Escherichia coli BL21 (DE3) cells using fluorogenic 7-amino-4-methylcoumarin (AMC)-labeled peptide...


J Med Chem 57: 8340-57 (2014)


Article DOI: 10.1021/jm500777s
BindingDB Entry DOI: 10.7270/Q2KK9DDH
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50030105
PNG
(CHEMBL3343534)
Show SMILES Cc1ccc(cc1)C(=O)Nc1cccc2cc(Oc3cncc(c3)C(N)=O)ccc12
Show InChI InChI=1S/C24H19N3O3/c1-15-5-7-16(8-6-15)24(29)27-22-4-2-3-17-11-19(9-10-21(17)22)30-20-12-18(23(25)28)13-26-14-20/h2-14H,1H3,(H2,25,28)(H,27,29)
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n/an/a 2.29E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of catalytically active human SIRT3 (102 to 399 amino acids) expressed in Escherichia coli BL21 (DE3) cells using fluorogenic 7-amino-4-me...


J Med Chem 57: 8340-57 (2014)


Article DOI: 10.1021/jm500777s
BindingDB Entry DOI: 10.7270/Q2KK9DDH
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50030172
PNG
(CHEMBL3343526)
Show SMILES NC(=O)c1cncc(Sc2ccc3ccccc3c2)c1
Show InChI InChI=1S/C16H12N2OS/c17-16(19)13-8-15(10-18-9-13)20-14-6-5-11-3-1-2-4-12(11)7-14/h1-10H,(H2,17,19)
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n/an/a 2.69E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of full length human SIRT1 expressed in Escherichia coli BL21 (DE3) cells using fluorogenic 7-amino-4-methylcoumarin (AMC)-labeled peptide...


J Med Chem 57: 8340-57 (2014)


Article DOI: 10.1021/jm500777s
BindingDB Entry DOI: 10.7270/Q2KK9DDH
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50030172
PNG
(CHEMBL3343526)
Show SMILES NC(=O)c1cncc(Sc2ccc3ccccc3c2)c1
Show InChI InChI=1S/C16H12N2OS/c17-16(19)13-8-15(10-18-9-13)20-14-6-5-11-3-1-2-4-12(11)7-14/h1-10H,(H2,17,19)
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n/an/a 2.79E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of catalytically active human SIRT3 (102 to 399 amino acids) expressed in Escherichia coli BL21 (DE3) cells using fluorogenic 7-amino-4-me...


J Med Chem 57: 8340-57 (2014)


Article DOI: 10.1021/jm500777s
BindingDB Entry DOI: 10.7270/Q2KK9DDH
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50030100
PNG
(CHEMBL3343652)
Show SMILES NC(=O)c1cncc(Oc2cccc3c(NC(=O)c4ccccc4)cccc23)c1
Show InChI InChI=1S/C23H17N3O3/c24-22(27)16-12-17(14-25-13-16)29-21-11-5-8-18-19(21)9-4-10-20(18)26-23(28)15-6-2-1-3-7-15/h1-14H,(H2,24,27)(H,26,28)
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n/an/a 2.97E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of catalytically active human SIRT3 (102 to 399 amino acids) expressed in Escherichia coli BL21 (DE3) cells using (Ac)RHKK(Ac)-AMC substra...


J Med Chem 57: 8340-57 (2014)


Article DOI: 10.1021/jm500777s
BindingDB Entry DOI: 10.7270/Q2KK9DDH
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50030149
PNG
(CHEMBL3343531)
Show SMILES NC(=O)c1cncc(Sc2cccc3ccccc23)c1
Show InChI InChI=1S/C16H12N2OS/c17-16(19)12-8-13(10-18-9-12)20-15-7-3-5-11-4-1-2-6-14(11)15/h1-10H,(H2,17,19)
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n/an/a 3.01E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of catalytically active human SIRT3 (102 to 399 amino acids) expressed in Escherichia coli BL21 (DE3) cells using fluorogenic 7-amino-4-me...


J Med Chem 57: 8340-57 (2014)


Article DOI: 10.1021/jm500777s
BindingDB Entry DOI: 10.7270/Q2KK9DDH
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50030149
PNG
(CHEMBL3343531)
Show SMILES NC(=O)c1cncc(Sc2cccc3ccccc23)c1
Show InChI InChI=1S/C16H12N2OS/c17-16(19)12-8-13(10-18-9-12)20-15-7-3-5-11-4-1-2-6-14(11)15/h1-10H,(H2,17,19)
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n/an/a 3.03E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of full length human SIRT1 expressed in Escherichia coli BL21 (DE3) cells using fluorogenic 7-amino-4-methylcoumarin (AMC)-labeled peptide...


J Med Chem 57: 8340-57 (2014)


Article DOI: 10.1021/jm500777s
BindingDB Entry DOI: 10.7270/Q2KK9DDH
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50030102
PNG
(CHEMBL3343655)
Show SMILES NC(=O)c1cncc(Oc2cccc3c(NC(=O)c4ccncc4)cccc23)c1
Show InChI InChI=1S/C22H16N4O3/c23-21(27)15-11-16(13-25-12-15)29-20-6-2-3-17-18(20)4-1-5-19(17)26-22(28)14-7-9-24-10-8-14/h1-13H,(H2,23,27)(H,26,28)
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n/an/a 3.25E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of catalytically active human SIRT3 (102 to 399 amino acids) expressed in Escherichia coli BL21 (DE3) cells using fluorogenic 7-amino-4-me...


J Med Chem 57: 8340-57 (2014)


Article DOI: 10.1021/jm500777s
BindingDB Entry DOI: 10.7270/Q2KK9DDH
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50030104
PNG
(CHEMBL3343653)
Show SMILES Cc1ccc(cc1)C(=O)Nc1cccc2c(Oc3cncc(c3)C(N)=O)cccc12
Show InChI InChI=1S/C24H19N3O3/c1-15-8-10-16(11-9-15)24(29)27-21-6-2-5-20-19(21)4-3-7-22(20)30-18-12-17(23(25)28)13-26-14-18/h2-14H,1H3,(H2,25,28)(H,27,29)
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n/an/a 3.35E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of catalytically active human SIRT3 (102 to 399 amino acids) expressed in Escherichia coli BL21 (DE3) cells using fluorogenic 7-amino-4-me...


J Med Chem 57: 8340-57 (2014)


Article DOI: 10.1021/jm500777s
BindingDB Entry DOI: 10.7270/Q2KK9DDH
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50030101
PNG
(CHEMBL3343656)
Show SMILES NC(=O)c1cncc(Oc2cccc3c(NC(=O)c4cccnc4)cccc23)c1
Show InChI InChI=1S/C22H16N4O3/c23-21(27)15-10-16(13-25-12-15)29-20-8-2-5-17-18(20)6-1-7-19(17)26-22(28)14-4-3-9-24-11-14/h1-13H,(H2,23,27)(H,26,28)
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n/an/a 3.36E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of catalytically active human SIRT3 (102 to 399 amino acids) expressed in Escherichia coli BL21 (DE3) cells using fluorogenic 7-amino-4-me...


J Med Chem 57: 8340-57 (2014)


Article DOI: 10.1021/jm500777s
BindingDB Entry DOI: 10.7270/Q2KK9DDH
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50030151
PNG
(CHEMBL3343523)
Show SMILES NC(=O)c1cncc(Nc2ccc3ccccc3c2)c1
Show InChI InChI=1S/C16H13N3O/c17-16(20)13-8-15(10-18-9-13)19-14-6-5-11-3-1-2-4-12(11)7-14/h1-10,19H,(H2,17,20)
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n/an/a 3.36E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of full length human SIRT1 expressed in Escherichia coli BL21 (DE3) cells using fluorogenic 7-amino-4-methylcoumarin (AMC)-labeled peptide...


J Med Chem 57: 8340-57 (2014)


Article DOI: 10.1021/jm500777s
BindingDB Entry DOI: 10.7270/Q2KK9DDH
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50030110
PNG
(CHEMBL3343528)
Show SMILES NC(=O)c1cncc(Nc2cccc3ccccc23)c1
Show InChI InChI=1S/C16H13N3O/c17-16(20)12-8-13(10-18-9-12)19-15-7-3-5-11-4-1-2-6-14(11)15/h1-10,19H,(H2,17,20)
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n/an/a 4.09E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of full length human SIRT1 expressed in Escherichia coli BL21 (DE3) cells using fluorogenic 7-amino-4-methylcoumarin (AMC)-labeled peptide...


J Med Chem 57: 8340-57 (2014)


Article DOI: 10.1021/jm500777s
BindingDB Entry DOI: 10.7270/Q2KK9DDH
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50030100
PNG
(CHEMBL3343652)
Show SMILES NC(=O)c1cncc(Oc2cccc3c(NC(=O)c4ccccc4)cccc23)c1
Show InChI InChI=1S/C23H17N3O3/c24-22(27)16-12-17(14-25-13-16)29-21-11-5-8-18-19(21)9-4-10-20(18)26-23(28)15-6-2-1-3-7-15/h1-14H,(H2,24,27)(H,26,28)
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n/an/a 4.42E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of catalytically active human SIRT3 (102 to 399 amino acids) expressed in Escherichia coli BL21 (DE3) cells using fluorogenic 7-amino-4-me...


J Med Chem 57: 8340-57 (2014)


Article DOI: 10.1021/jm500777s
BindingDB Entry DOI: 10.7270/Q2KK9DDH
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50030100
PNG
(CHEMBL3343652)
Show SMILES NC(=O)c1cncc(Oc2cccc3c(NC(=O)c4ccccc4)cccc23)c1
Show InChI InChI=1S/C23H17N3O3/c24-22(27)16-12-17(14-25-13-16)29-21-11-5-8-18-19(21)9-4-10-20(18)26-23(28)15-6-2-1-3-7-15/h1-14H,(H2,24,27)(H,26,28)
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n/an/a 5.27E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of full length human SIRT1 expressed in Escherichia coli BL21 (DE3) cells using (Ac)RHKK(Ac)-AMC substrate by fluorescence assay based enz...


J Med Chem 57: 8340-57 (2014)


Article DOI: 10.1021/jm500777s
BindingDB Entry DOI: 10.7270/Q2KK9DDH
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50216689
PNG
(2-cyano-3-(5-(2,5-dichlorophenyl)furan-2-yl)-N-(qu...)
Show SMILES Clc1ccc(Cl)c(c1)-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1
Show InChI InChI=1S/C23H13Cl2N3O2/c24-15-6-8-19(25)18(12-15)22-9-7-16(30-22)11-14(13-26)23(29)28-21-5-1-4-20-17(21)3-2-10-27-20/h1-12H,(H,28,29)/b14-11+
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n/an/a 5.28E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of catalytically active human SIRT3 (102 to 399 amino acids) expressed in Escherichia coli BL21 (DE3) cells using fluorogenic 7-amino-4-me...


J Med Chem 57: 8340-57 (2014)


Article DOI: 10.1021/jm500777s
BindingDB Entry DOI: 10.7270/Q2KK9DDH
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50030103
PNG
(CHEMBL3343654)
Show SMILES NC(=O)c1cncc(Oc2cccc3c(NC(=O)c4cccc(c4)[N+]([O-])=O)cccc23)c1
Show InChI InChI=1S/C23H16N4O5/c24-22(28)15-11-17(13-25-12-15)32-21-9-3-6-18-19(21)7-2-8-20(18)26-23(29)14-4-1-5-16(10-14)27(30)31/h1-13H,(H2,24,28)(H,26,29)
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n/an/a 6.40E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of full length human SIRT1 expressed in Escherichia coli BL21 (DE3) cells using fluorogenic 7-amino-4-methylcoumarin (AMC)-labeled peptide...


J Med Chem 57: 8340-57 (2014)


Article DOI: 10.1021/jm500777s
BindingDB Entry DOI: 10.7270/Q2KK9DDH
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50030101
PNG
(CHEMBL3343656)
Show SMILES NC(=O)c1cncc(Oc2cccc3c(NC(=O)c4cccnc4)cccc23)c1
Show InChI InChI=1S/C22H16N4O3/c23-21(27)15-10-16(13-25-12-15)29-20-8-2-5-17-18(20)6-1-7-19(17)26-22(28)14-4-3-9-24-11-14/h1-13H,(H2,23,27)(H,26,28)
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n/an/a 7.07E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of full length human SIRT1 expressed in Escherichia coli BL21 (DE3) cells using fluorogenic 7-amino-4-methylcoumarin (AMC)-labeled peptide...


J Med Chem 57: 8340-57 (2014)


Article DOI: 10.1021/jm500777s
BindingDB Entry DOI: 10.7270/Q2KK9DDH
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM27507
PNG
(3-Pyridinecarboxamide | CHEMBL1140 | NAM | niacina...)
Show SMILES NC(=O)c1cccnc1
Show InChI InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)
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n/an/a 7.30E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of full length human SIRT1 expressed in Escherichia coli BL21 (DE3) cells using fluorogenic 7-amino-4-methylcoumarin (AMC)-labeled peptide...


J Med Chem 57: 8340-57 (2014)


Article DOI: 10.1021/jm500777s
BindingDB Entry DOI: 10.7270/Q2KK9DDH
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50030107
PNG
(CHEMBL3343651)
Show SMILES Cc1ccc(cc1[N+]([O-])=O)C(=O)Nc1cccc2c(Oc3cncc(c3)C(N)=O)cccc12
Show InChI InChI=1S/C24H18N4O5/c1-14-8-9-15(11-21(14)28(31)32)24(30)27-20-6-2-5-19-18(20)4-3-7-22(19)33-17-10-16(23(25)29)12-26-13-17/h2-13H,1H3,(H2,25,29)(H,27,30)
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n/an/a 1.00E+5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of full length human SIRT1 expressed in Escherichia coli BL21 (DE3) cells using fluorogenic 7-amino-4-methylcoumarin (AMC)-labeled peptide...


J Med Chem 57: 8340-57 (2014)


Article DOI: 10.1021/jm500777s
BindingDB Entry DOI: 10.7270/Q2KK9DDH
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50178769
PNG
((+/-)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-c...)
Show SMILES NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21
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)
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n/an/a 1.28E+5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of catalytically active human SIRT3 (102 to 399 amino acids) expressed in Escherichia coli BL21 (DE3) cells using fluorogenic 7-amino-4-me...


J Med Chem 57: 8340-57 (2014)


Article DOI: 10.1021/jm500777s
BindingDB Entry DOI: 10.7270/Q2KK9DDH
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50216689
PNG
(2-cyano-3-(5-(2,5-dichlorophenyl)furan-2-yl)-N-(qu...)
Show SMILES Clc1ccc(Cl)c(c1)-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1
Show InChI InChI=1S/C23H13Cl2N3O2/c24-15-6-8-19(25)18(12-15)22-9-7-16(30-22)11-14(13-26)23(29)28-21-5-1-4-20-17(21)3-2-10-27-20/h1-12H,(H,28,29)/b14-11+
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Article
PubMed
n/an/a 1.35E+5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of full length human SIRT1 expressed in Escherichia coli BL21 (DE3) cells using fluorogenic 7-amino-4-methylcoumarin (AMC)-labeled peptide...


J Med Chem 57: 8340-57 (2014)


Article DOI: 10.1021/jm500777s
BindingDB Entry DOI: 10.7270/Q2KK9DDH
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50030107
PNG
(CHEMBL3343651)
Show SMILES Cc1ccc(cc1[N+]([O-])=O)C(=O)Nc1cccc2c(Oc3cncc(c3)C(N)=O)cccc12
Show InChI InChI=1S/C24H18N4O5/c1-14-8-9-15(11-21(14)28(31)32)24(30)27-20-6-2-5-19-18(20)4-3-7-22(19)33-17-10-16(23(25)29)12-26-13-17/h2-13H,1H3,(H2,25,29)(H,27,30)
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Article
PubMed
n/an/a 2.32E+5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of catalytically active human SIRT3 (102 to 399 amino acids) expressed in Escherichia coli BL21 (DE3) cells using fluorogenic 7-amino-4-me...


J Med Chem 57: 8340-57 (2014)


Article DOI: 10.1021/jm500777s
BindingDB Entry DOI: 10.7270/Q2KK9DDH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%