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Compile Data Set for Download or QSAR

Found 42 hits from Elixir Pharmaceuticals   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50178775
PNG
((S)-2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]in...)
Show SMILES NC(=O)[C@H]1CCCCc2c1[nH]c1ccc(Cl)cc21
Show InChI InChI=1S/C14H15ClN2O/c15-8-5-6-12-11(7-8)9-3-1-2-4-10(14(16)18)13(9)17-12/h5-7,10,17H,1-4H2,(H2,16,18)/t10-/m0/s1
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n/an/a 63n/an/an/an/an/an/a



Elixir Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human SIRT1 expressed in Escherichia coli by fluorimetric assay


J Med Chem 48: 8045-54 (2005)


Article DOI: 10.1021/jm050522v
BindingDB Entry DOI: 10.7270/Q27D2TPK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 98n/an/an/an/an/an/a



Elixir Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human SIRT1 expressed in Escherichia coli by fluorimetric assay


J Med Chem 48: 8045-54 (2005)


Article DOI: 10.1021/jm050522v
BindingDB Entry DOI: 10.7270/Q27D2TPK
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 123n/an/an/an/an/an/a



Elixir Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human SIRT1 expressed in Escherichia coli by fluorimetric assay


J Med Chem 48: 8045-54 (2005)


Article DOI: 10.1021/jm050522v
BindingDB Entry DOI: 10.7270/Q27D2TPK
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50178766
PNG
(2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole...)
Show SMILES NC(=O)C1CCCCc2c1[nH]c1ccc(Cl)cc21
Show InChI InChI=1S/C14H15ClN2O/c15-8-5-6-12-11(7-8)9-3-1-2-4-10(14(16)18)13(9)17-12/h5-7,10,17H,1-4H2,(H2,16,18)
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n/an/a 124n/an/an/an/an/an/a



Elixir Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human SIRT1 expressed in Escherichia coli by fluorimetric assay


J Med Chem 48: 8045-54 (2005)


Article DOI: 10.1021/jm050522v
BindingDB Entry DOI: 10.7270/Q27D2TPK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50178773
PNG
(6-methyl-2,3,4,9-tetrahydro-1H-carbazole-1-carboxa...)
Show SMILES Cc1ccc2[nH]c3C(CCCc3c2c1)C(N)=O
Show InChI InChI=1S/C14H16N2O/c1-8-5-6-12-11(7-8)9-3-2-4-10(14(15)17)13(9)16-12/h5-7,10,16H,2-4H2,1H3,(H2,15,17)
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n/an/a 205n/an/an/an/an/an/a



Elixir Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human SIRT1 expressed in Escherichia coli by fluorimetric assay


J Med Chem 48: 8045-54 (2005)


Article DOI: 10.1021/jm050522v
BindingDB Entry DOI: 10.7270/Q27D2TPK
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50178787
PNG
(7-chloro-1,2,3,4-tetrahydrocyclopenta[b]indole-3-c...)
Show SMILES NC(=O)C1CCc2c1[nH]c1ccc(Cl)cc21
Show InChI InChI=1S/C12H11ClN2O/c13-6-1-4-10-9(5-6)7-2-3-8(12(14)16)11(7)15-10/h1,4-5,8,15H,2-3H2,(H2,14,16)
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n/an/a 409n/an/an/an/an/an/a



Elixir Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human SIRT1 expressed in Escherichia coli by fluorimetric assay


J Med Chem 48: 8045-54 (2005)


Article DOI: 10.1021/jm050522v
BindingDB Entry DOI: 10.7270/Q27D2TPK
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50178766
PNG
(2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole...)
Show SMILES NC(=O)C1CCCCc2c1[nH]c1ccc(Cl)cc21
Show InChI InChI=1S/C14H15ClN2O/c15-8-5-6-12-11(7-8)9-3-1-2-4-10(14(16)18)13(9)17-12/h5-7,10,17H,1-4H2,(H2,16,18)
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n/an/a 652n/an/an/an/an/an/a



Elixir Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human SIRT1 by radiochemical Nicotinamide release assay


J Med Chem 48: 8045-54 (2005)


Article DOI: 10.1021/jm050522v
BindingDB Entry DOI: 10.7270/Q27D2TPK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 1.29E+3n/an/an/an/an/an/a



Elixir Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human SIRT1 by radiochemical Nicotinamide release assay


J Med Chem 48: 8045-54 (2005)


Article DOI: 10.1021/jm050522v
BindingDB Entry DOI: 10.7270/Q27D2TPK
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50178767
PNG
(2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide | CH...)
Show SMILES NC(=O)C1CCCc2c1[nH]c1ccccc21
Show InChI InChI=1S/C13H14N2O/c14-13(16)10-6-3-5-9-8-4-1-2-7-11(8)15-12(9)10/h1-2,4,7,10,15H,3,5-6H2,(H2,14,16)
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n/an/a 1.47E+3n/an/an/an/an/an/a



Elixir Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human SIRT1 expressed in Escherichia coli by fluorimetric assay


J Med Chem 48: 8045-54 (2005)


Article DOI: 10.1021/jm050522v
BindingDB Entry DOI: 10.7270/Q27D2TPK
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50178784
PNG
(6-bromo-2,3,4,9-tetrahydro-1H-carbazole-2-carboxam...)
Show SMILES NC(=O)C1CCc2c(C1)[nH]c1ccc(Br)cc21
Show InChI InChI=1S/C13H13BrN2O/c14-8-2-4-11-10(6-8)9-3-1-7(13(15)17)5-12(9)16-11/h2,4,6-7,16H,1,3,5H2,(H2,15,17)
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n/an/a 2.44E+3n/an/an/an/an/an/a



Elixir Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human SIRT1 expressed in Escherichia coli by fluorimetric assay


J Med Chem 48: 8045-54 (2005)


Article DOI: 10.1021/jm050522v
BindingDB Entry DOI: 10.7270/Q27D2TPK
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50178773
PNG
(6-methyl-2,3,4,9-tetrahydro-1H-carbazole-1-carboxa...)
Show SMILES Cc1ccc2[nH]c3C(CCCc3c2c1)C(N)=O
Show InChI InChI=1S/C14H16N2O/c1-8-5-6-12-11(7-8)9-3-2-4-10(14(15)17)13(9)16-12/h5-7,10,16H,2-4H2,1H3,(H2,15,17)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Elixir Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human SIRT1 by radiochemical Nicotinamide release assay


J Med Chem 48: 8045-54 (2005)


Article DOI: 10.1021/jm050522v
BindingDB Entry DOI: 10.7270/Q27D2TPK
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50178774
PNG
(1,2,3,4-tetrahydrocyclopenta[b]indole-3-carboxamid...)
Show SMILES NC(=O)C1CCc2c1[nH]c1ccccc21
Show InChI InChI=1S/C12H12N2O/c13-12(15)9-6-5-8-7-3-1-2-4-10(7)14-11(8)9/h1-4,9,14H,5-6H2,(H2,13,15)
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n/an/a 2.67E+3n/an/an/an/an/an/a



Elixir Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human SIRT1 expressed in Escherichia coli by fluorimetric assay


J Med Chem 48: 8045-54 (2005)


Article DOI: 10.1021/jm050522v
BindingDB Entry DOI: 10.7270/Q27D2TPK
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (human))
BDBM50178766
PNG
(2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole...)
Show SMILES NC(=O)C1CCCCc2c1[nH]c1ccc(Cl)cc21
Show InChI InChI=1S/C14H15ClN2O/c15-8-5-6-12-11(7-8)9-3-1-2-4-10(14(16)18)13(9)17-12/h5-7,10,17H,1-4H2,(H2,16,18)
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n/an/a 2.77E+3n/an/an/an/an/an/a



Elixir Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human SIRT2 expressed in Escherichia coli by fluorimetric assay


J Med Chem 48: 8045-54 (2005)


Article DOI: 10.1021/jm050522v
BindingDB Entry DOI: 10.7270/Q27D2TPK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50178767
PNG
(2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide | CH...)
Show SMILES NC(=O)C1CCCc2c1[nH]c1ccccc21
Show InChI InChI=1S/C13H14N2O/c14-13(16)10-6-3-5-9-8-4-1-2-7-11(8)15-12(9)10/h1-2,4,7,10,15H,3,5-6H2,(H2,14,16)
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n/an/a 3.30E+3n/an/an/an/an/an/a



Elixir Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human SIRT1 by radiochemical Nicotinamide release assay


J Med Chem 48: 8045-54 (2005)


Article DOI: 10.1021/jm050522v
BindingDB Entry DOI: 10.7270/Q27D2TPK
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (human))
BDBM50178773
PNG
(6-methyl-2,3,4,9-tetrahydro-1H-carbazole-1-carboxa...)
Show SMILES Cc1ccc2[nH]c3C(CCCc3c2c1)C(N)=O
Show InChI InChI=1S/C14H16N2O/c1-8-5-6-12-11(7-8)9-3-2-4-10(14(15)17)13(9)16-12/h5-7,10,16H,2-4H2,1H3,(H2,15,17)
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n/an/a 1.15E+4n/an/an/an/an/an/a



Elixir Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human SIRT2 expressed in Escherichia coli by fluorimetric assay


J Med Chem 48: 8045-54 (2005)


Article DOI: 10.1021/jm050522v
BindingDB Entry DOI: 10.7270/Q27D2TPK
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50178786
PNG
(1,6-dimethyl-2,3,4,9-tetrahydro-1H-carbazole-1-car...)
Show SMILES Cc1ccc2[nH]c3c(CCCC3(C)C(N)=O)c2c1
Show InChI InChI=1S/C15H18N2O/c1-9-5-6-12-11(8-9)10-4-3-7-15(2,14(16)18)13(10)17-12/h5-6,8,17H,3-4,7H2,1-2H3,(H2,16,18)
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n/an/a 1.30E+4n/an/an/an/an/an/a



Elixir Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human SIRT1 expressed in Escherichia coli by fluorimetric assay


J Med Chem 48: 8045-54 (2005)


Article DOI: 10.1021/jm050522v
BindingDB Entry DOI: 10.7270/Q27D2TPK
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50178772
PNG
(6-hydroxy-2,3,4,9-tetrahydro-1H-carbazole-1-carbox...)
Show SMILES NC(=O)C1CCCc2c1[nH]c1ccc(O)cc21
Show InChI InChI=1S/C13H14N2O2/c14-13(17)9-3-1-2-8-10-6-7(16)4-5-11(10)15-12(8)9/h4-6,9,15-16H,1-3H2,(H2,14,17)
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n/an/a 1.50E+4n/an/an/an/an/an/a



Elixir Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human SIRT1 expressed in Escherichia coli by fluorimetric assay


J Med Chem 48: 8045-54 (2005)


Article DOI: 10.1021/jm050522v
BindingDB Entry DOI: 10.7270/Q27D2TPK
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50178768
PNG
(6-chloro-2,3,4,9-tetrahydro-1H-beta-carboline-1-ca...)
Show SMILES NC(=O)C1NCCc2c1[nH]c1ccc(Cl)cc21
Show InChI InChI=1S/C12H12ClN3O/c13-6-1-2-9-8(5-6)7-3-4-15-11(12(14)17)10(7)16-9/h1-2,5,11,15-16H,3-4H2,(H2,14,17)
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n/an/a 1.80E+4n/an/an/an/an/an/a



Elixir Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human SIRT1 expressed in Escherichia coli by fluorimetric assay


J Med Chem 48: 8045-54 (2005)


Article DOI: 10.1021/jm050522v
BindingDB Entry DOI: 10.7270/Q27D2TPK
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 1.96E+4n/an/an/an/an/an/a



Elixir Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human SIRT2 expressed in Escherichia coli by fluorimetric assay


J Med Chem 48: 8045-54 (2005)


Article DOI: 10.1021/jm050522v
BindingDB Entry DOI: 10.7270/Q27D2TPK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50178776
PNG
((R)-2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]in...)
Show SMILES NC(=O)[C@@H]1CCCCc2c1[nH]c1ccc(Cl)cc21
Show InChI InChI=1S/C14H15ClN2O/c15-8-5-6-12-11(7-8)9-3-1-2-4-10(14(16)18)13(9)17-12/h5-7,10,17H,1-4H2,(H2,16,18)/t10-/m1/s1
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n/an/a 2.30E+4n/an/an/an/an/an/a



Elixir Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human SIRT1 expressed in Escherichia coli by fluorimetric assay


J Med Chem 48: 8045-54 (2005)


Article DOI: 10.1021/jm050522v
BindingDB Entry DOI: 10.7270/Q27D2TPK
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (human))
BDBM50178767
PNG
(2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide | CH...)
Show SMILES NC(=O)C1CCCc2c1[nH]c1ccccc21
Show InChI InChI=1S/C13H14N2O/c14-13(16)10-6-3-5-9-8-4-1-2-7-11(8)15-12(9)10/h1-2,4,7,10,15H,3,5-6H2,(H2,14,16)
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n/an/a 2.48E+4n/an/an/an/an/an/a



Elixir Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human SIRT2 expressed in Escherichia coli by fluorimetric assay


J Med Chem 48: 8045-54 (2005)


Article DOI: 10.1021/jm050522v
BindingDB Entry DOI: 10.7270/Q27D2TPK
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50178789
PNG
(6-chloro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxa...)
Show SMILES NC(=O)C1CCc2c(C1)[nH]c1ccc(Cl)cc21
Show InChI InChI=1S/C13H13ClN2O/c14-8-2-4-11-10(6-8)9-3-1-7(13(15)17)5-12(9)16-11/h2,4,6-7,16H,1,3,5H2,(H2,15,17)
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n/an/a 3.45E+4n/an/an/an/an/an/a



Elixir Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human SIRT1 expressed in Escherichia coli by fluorimetric assay


J Med Chem 48: 8045-54 (2005)


Article DOI: 10.1021/jm050522v
BindingDB Entry DOI: 10.7270/Q27D2TPK
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 4.87E+4n/an/an/an/an/an/a



Elixir Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human SIRT3 expressed in Escherichia coli by fluorimetric assay


J Med Chem 48: 8045-54 (2005)


Article DOI: 10.1021/jm050522v
BindingDB Entry DOI: 10.7270/Q27D2TPK
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50178788
PNG
(6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-hydroxy...)
Show SMILES ONC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21
Show InChI InChI=1S/C13H13ClN2O2/c14-7-4-5-11-10(6-7)8-2-1-3-9(12(8)15-11)13(17)16-18/h4-6,9,15,18H,1-3H2,(H,16,17)
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n/an/a 7.76E+4n/an/an/an/an/an/a



Elixir Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human SIRT1 expressed in Escherichia coli by fluorimetric assay


J Med Chem 48: 8045-54 (2005)


Article DOI: 10.1021/jm050522v
BindingDB Entry DOI: 10.7270/Q27D2TPK
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50178782
PNG
(2-acetyl-6-chloro-2,3,4,9-tetrahydro-1H-beta-carbo...)
Show SMILES CC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1C(N)=O
Show InChI InChI=1S/C14H14ClN3O2/c1-7(19)18-5-4-9-10-6-8(15)2-3-11(10)17-12(9)13(18)14(16)20/h2-3,6,13,17H,4-5H2,1H3,(H2,16,20)
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n/an/a 7.99E+4n/an/an/an/an/an/a



Elixir Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human SIRT1 expressed in Escherichia coli by fluorimetric assay


J Med Chem 48: 8045-54 (2005)


Article DOI: 10.1021/jm050522v
BindingDB Entry DOI: 10.7270/Q27D2TPK
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50178766
PNG
(2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole...)
Show SMILES NC(=O)C1CCCCc2c1[nH]c1ccc(Cl)cc21
Show InChI InChI=1S/C14H15ClN2O/c15-8-5-6-12-11(7-8)9-3-1-2-4-10(14(16)18)13(9)17-12/h5-7,10,17H,1-4H2,(H2,16,18)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Elixir Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human SIRT3 expressed in Escherichia coli by fluorimetric assay


J Med Chem 48: 8045-54 (2005)


Article DOI: 10.1021/jm050522v
BindingDB Entry DOI: 10.7270/Q27D2TPK
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50178785
PNG
(6-chloro-N,N-diethyl-2,3,4,9-tetrahydro-1H-carbazo...)
Show SMILES CCN(CC)C(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21
Show InChI InChI=1S/C17H21ClN2O/c1-3-20(4-2)17(21)13-7-5-6-12-14-10-11(18)8-9-15(14)19-16(12)13/h8-10,13,19H,3-7H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Elixir Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human SIRT1 expressed in Escherichia coli by fluorimetric assay


J Med Chem 48: 8045-54 (2005)


Article DOI: 10.1021/jm050522v
BindingDB Entry DOI: 10.7270/Q27D2TPK
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50178783
PNG
(6-chloro-2,3,4,4a,9,9a-hexahydro-1H-carbazole-1-ca...)
Show SMILES NC(=O)C1CCCC2C1Nc1ccc(Cl)cc21
Show InChI InChI=1S/C13H15ClN2O/c14-7-4-5-11-10(6-7)8-2-1-3-9(13(15)17)12(8)16-11/h4-6,8-9,12,16H,1-3H2,(H2,15,17)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Elixir Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human SIRT1 expressed in Escherichia coli by fluorimetric assay


J Med Chem 48: 8045-54 (2005)


Article DOI: 10.1021/jm050522v
BindingDB Entry DOI: 10.7270/Q27D2TPK
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50178773
PNG
(6-methyl-2,3,4,9-tetrahydro-1H-carbazole-1-carboxa...)
Show SMILES Cc1ccc2[nH]c3C(CCCc3c2c1)C(N)=O
Show InChI InChI=1S/C14H16N2O/c1-8-5-6-12-11(7-8)9-3-2-4-10(14(15)17)13(9)16-12/h5-7,10,16H,2-4H2,1H3,(H2,15,17)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Elixir Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human SIRT3 expressed in Escherichia coli by fluorimetric assay


J Med Chem 48: 8045-54 (2005)


Article DOI: 10.1021/jm050522v
BindingDB Entry DOI: 10.7270/Q27D2TPK
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50178781
PNG
(CHEMBL171145 | N-(2-amino-2-oxoethyl)-6-chloro-2,3...)
Show SMILES NC(=O)CNC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21
Show InChI InChI=1S/C15H16ClN3O2/c16-8-4-5-12-11(6-8)9-2-1-3-10(14(9)19-12)15(21)18-7-13(17)20/h4-6,10,19H,1-3,7H2,(H2,17,20)(H,18,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Elixir Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human SIRT1 expressed in Escherichia coli by fluorimetric assay


J Med Chem 48: 8045-54 (2005)


Article DOI: 10.1021/jm050522v
BindingDB Entry DOI: 10.7270/Q27D2TPK
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50178767
PNG
(2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide | CH...)
Show SMILES NC(=O)C1CCCc2c1[nH]c1ccccc21
Show InChI InChI=1S/C13H14N2O/c14-13(16)10-6-3-5-9-8-4-1-2-7-11(8)15-12(9)10/h1-2,4,7,10,15H,3,5-6H2,(H2,14,16)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Elixir Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human SIRT3 expressed in Escherichia coli by fluorimetric assay


J Med Chem 48: 8045-54 (2005)


Article DOI: 10.1021/jm050522v
BindingDB Entry DOI: 10.7270/Q27D2TPK
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>1.00E+5n/an/an/an/an/an/a



Elixir Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human SIRT1 expressed in Escherichia coli by fluorimetric assay


J Med Chem 48: 8045-54 (2005)


Article DOI: 10.1021/jm050522v
BindingDB Entry DOI: 10.7270/Q27D2TPK
More data for this
Ligand-Target Pair
Lymphocyte differentiation antigen CD38


(Homo sapiens)
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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Elixir Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against pig brain NAD glycohydrolase (NADase) by radiochemical Nicotinamide release assay


J Med Chem 48: 8045-54 (2005)


Article DOI: 10.1021/jm050522v
BindingDB Entry DOI: 10.7270/Q27D2TPK
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50178780
PNG
(6,9-dimethyl-2,3,4,9-tetrahydro-1H-carbazole-1-car...)
Show SMILES Cc1ccc2n(C)c3C(CCCc3c2c1)C(N)=O
Show InChI InChI=1S/C15H18N2O/c1-9-6-7-13-12(8-9)10-4-3-5-11(15(16)18)14(10)17(13)2/h6-8,11H,3-5H2,1-2H3,(H2,16,18)
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Elixir Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human SIRT1 expressed in Escherichia coli by fluorimetric assay


J Med Chem 48: 8045-54 (2005)


Article DOI: 10.1021/jm050522v
BindingDB Entry DOI: 10.7270/Q27D2TPK
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50178779
PNG
(6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxy...)
Show SMILES OC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21
Show InChI InChI=1S/C13H12ClNO2/c14-7-4-5-11-10(6-7)8-2-1-3-9(13(16)17)12(8)15-11/h4-6,9,15H,1-3H2,(H,16,17)
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Elixir Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human SIRT1 expressed in Escherichia coli by fluorimetric assay


J Med Chem 48: 8045-54 (2005)


Article DOI: 10.1021/jm050522v
BindingDB Entry DOI: 10.7270/Q27D2TPK
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50178778
PNG
(6-bromo-2,3,4,9-tetrahydro-1H-beta-carboline-1-car...)
Show SMILES NC(=O)C1NCCc2c1[nH]c1ccc(Br)cc21
Show InChI InChI=1S/C12H12BrN3O/c13-6-1-2-9-8(5-6)7-3-4-15-11(12(14)17)10(7)16-9/h1-2,5,11,15-16H,3-4H2,(H2,14,17)
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Elixir Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human SIRT1 expressed in Escherichia coli by fluorimetric assay


J Med Chem 48: 8045-54 (2005)


Article DOI: 10.1021/jm050522v
BindingDB Entry DOI: 10.7270/Q27D2TPK
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50178777
PNG
((6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)meth...)
Show SMILES Cc1ccc2[nH]c3C(CN)CCCc3c2c1
Show InChI InChI=1S/C14H18N2/c1-9-5-6-13-12(7-9)11-4-2-3-10(8-15)14(11)16-13/h5-7,10,16H,2-4,8,15H2,1H3
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Elixir Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human SIRT1 expressed in Escherichia coli by fluorimetric assay


J Med Chem 48: 8045-54 (2005)


Article DOI: 10.1021/jm050522v
BindingDB Entry DOI: 10.7270/Q27D2TPK
More data for this
Ligand-Target Pair
Lymphocyte differentiation antigen CD38


(Homo sapiens)
BDBM50178773
PNG
(6-methyl-2,3,4,9-tetrahydro-1H-carbazole-1-carboxa...)
Show SMILES Cc1ccc2[nH]c3C(CCCc3c2c1)C(N)=O
Show InChI InChI=1S/C14H16N2O/c1-8-5-6-12-11(7-8)9-3-2-4-10(14(15)17)13(9)16-12/h5-7,10,16H,2-4H2,1H3,(H2,15,17)
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Elixir Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against pig brain NAD glycohydrolase (NADase) by radiochemical Nicotinamide release assay


J Med Chem 48: 8045-54 (2005)


Article DOI: 10.1021/jm050522v
BindingDB Entry DOI: 10.7270/Q27D2TPK
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50178771
PNG
(6-chloro-N-ethyl-2,3,4,9-tetrahydro-1H-carbazole-1...)
Show SMILES CCNC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21
Show InChI InChI=1S/C15H17ClN2O/c1-2-17-15(19)11-5-3-4-10-12-8-9(16)6-7-13(12)18-14(10)11/h6-8,11,18H,2-5H2,1H3,(H,17,19)
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Elixir Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human SIRT1 expressed in Escherichia coli by fluorimetric assay


J Med Chem 48: 8045-54 (2005)


Article DOI: 10.1021/jm050522v
BindingDB Entry DOI: 10.7270/Q27D2TPK
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50178770
PNG
(CHEMBL171137 | ethyl 6-chloro-2,3,4,9-tetrahydro-1...)
Show SMILES CCOC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21
Show InChI InChI=1S/C15H16ClNO2/c1-2-19-15(18)11-5-3-4-10-12-8-9(16)6-7-13(12)17-14(10)11/h6-8,11,17H,2-5H2,1H3
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Elixir Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human SIRT1 expressed in Escherichia coli by fluorimetric assay


J Med Chem 48: 8045-54 (2005)


Article DOI: 10.1021/jm050522v
BindingDB Entry DOI: 10.7270/Q27D2TPK
More data for this
Ligand-Target Pair
Lymphocyte differentiation antigen CD38


(Homo sapiens)
BDBM50178767
PNG
(2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide | CH...)
Show SMILES NC(=O)C1CCCc2c1[nH]c1ccccc21
Show InChI InChI=1S/C13H14N2O/c14-13(16)10-6-3-5-9-8-4-1-2-7-11(8)15-12(9)10/h1-2,4,7,10,15H,3,5-6H2,(H2,14,16)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Elixir Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against pig brain NAD glycohydrolase (NADase) by radiochemical Nicotinamide release assay


J Med Chem 48: 8045-54 (2005)


Article DOI: 10.1021/jm050522v
BindingDB Entry DOI: 10.7270/Q27D2TPK
More data for this
Ligand-Target Pair
Lymphocyte differentiation antigen CD38


(Homo sapiens)
BDBM50178766
PNG
(2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole...)
Show SMILES NC(=O)C1CCCCc2c1[nH]c1ccc(Cl)cc21
Show InChI InChI=1S/C14H15ClN2O/c15-8-5-6-12-11(7-8)9-3-1-2-4-10(14(16)18)13(9)17-12/h5-7,10,17H,1-4H2,(H2,16,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Elixir Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against pig brain NAD glycohydrolase (NADase) by radiochemical Nicotinamide release assay


J Med Chem 48: 8045-54 (2005)


Article DOI: 10.1021/jm050522v
BindingDB Entry DOI: 10.7270/Q27D2TPK
More data for this
Ligand-Target Pair