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Compile Data Set for Download or QSAR

Found 655 hits Enz. Inhib. hit(s) with Target = 'NAD-Dependent Deacetylase Sirtuin-1' AND taxid = 9606   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50044816
PNG
(CHEMBL1576457)
Show SMILES c1coc(c1)-c1nnc2sc(nn12)-c1ccccn1
Show InChI InChI=1S/C12H7N5OS/c1-2-6-13-8(4-1)11-16-17-10(9-5-3-7-18-9)14-15-12(17)19-11/h1-7H
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600n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of hexa-His-tagged recombinant human SIRT1 expressed in Escherichia coli BL21(DE3) using AMC-labeled Arg-His-Lys-Lys(ac) as substrate asse...


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50425971
PNG
(CHEMBL2314710)
Show SMILES Oc1ccc(O)c(c1)C(=O)c1coc2ccc(O)cc12
Show InChI InChI=1S/C15H10O5/c16-8-1-3-13(18)11(6-8)15(19)12-7-20-14-4-2-9(17)5-10(12)14/h1-7,16-18H
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800n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Mixed-type inhibition of N-terminal His6-tagged SIRT1 coding region (156-664) (unknown origin) expressed in Escherichia coli BL21(DE3) using NAD+ as ...


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50044816
PNG
(CHEMBL1576457)
Show SMILES c1coc(c1)-c1nnc2sc(nn12)-c1ccccn1
Show InChI InChI=1S/C12H7N5OS/c1-2-6-13-8(4-1)11-16-17-10(9-5-3-7-18-9)14-15-12(17)19-11/h1-7H
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2.41E+4n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SIRT1 F414A mutant expressed in Escherichia coli BL21(DE3) using AMC-labeled Arg-His-Lys-Lys(ac) as substrate assessed as inhibit...


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50044816
PNG
(CHEMBL1576457)
Show SMILES c1coc(c1)-c1nnc2sc(nn12)-c1ccccn1
Show InChI InChI=1S/C12H7N5OS/c1-2-6-13-8(4-1)11-16-17-10(9-5-3-7-18-9)14-15-12(17)19-11/h1-7H
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3.91E+4n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SIRT1 I347A mutant expressed in Escherichia coli BL21(DE3) using AMC-labeled Arg-His-Lys-Lys(ac) as substrate assessed as inhibit...


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50044816
PNG
(CHEMBL1576457)
Show SMILES c1coc(c1)-c1nnc2sc(nn12)-c1ccccn1
Show InChI InChI=1S/C12H7N5OS/c1-2-6-13-8(4-1)11-16-17-10(9-5-3-7-18-9)14-15-12(17)19-11/h1-7H
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5.89E+4n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SIRT1 F273L mutant expressed in Escherichia coli BL21(DE3) using AMC-labeled Arg-His-Lys-Lys(ac) as substrate assessed as inhibit...


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50431097
PNG
(CHEMBL2332039)
Show SMILES CCNC(=O)c1ccc(s1)C(=O)NCCC1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
Show InChI InChI=1S/C22H26N6O3S2/c1-2-24-21(30)15-3-4-16(32-15)22(31)25-8-5-13-6-9-28(10-7-13)20-18-14(26-12-27-20)11-17(33-18)19(23)29/h3-4,11-13H,2,5-10H2,1H3,(H2,23,29)(H,24,30)(H,25,31)
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n/an/a 3.60n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of His-tagged SIRT1 (1 to 747) (unknown origin)-mediated deacetylation of Ac-RHKKAcW-NH2 substrate preincubated for 20 mins measured after...


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50431093
PNG
(CHEMBL2338810)
Show SMILES CS(=O)(=O)NCCC1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
Show InChI InChI=1S/C15H21N5O3S2/c1-25(22,23)19-5-2-10-3-6-20(7-4-10)15-13-11(17-9-18-15)8-12(24-13)14(16)21/h8-10,19H,2-7H2,1H3,(H2,16,21)
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n/an/a 4.30n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of His-tagged SIRT1 (1 to 747) (unknown origin)-mediated deacetylation of Ac-RHKKAcW-NH2 substrate preincubated for 20 mins measured after...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50431121
PNG
(CHEMBL2332037)
Show SMILES CCNC(=O)c1cccc(c1)C(=O)NCCC1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
Show InChI InChI=1S/C24H28N6O3S/c1-2-26-23(32)16-4-3-5-17(12-16)24(33)27-9-6-15-7-10-30(11-8-15)22-20-18(28-14-29-22)13-19(34-20)21(25)31/h3-5,12-15H,2,6-11H2,1H3,(H2,25,31)(H,26,32)(H,27,33)
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n/an/a 5.30n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of His-tagged SIRT1 (1 to 747) (unknown origin)-mediated deacetylation of Ac-RHKKAcW-NH2 substrate preincubated for 20 mins measured after...


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50431116
PNG
(CHEMBL2332043)
Show SMILES NC(=O)c1cc2ncnc(N3CCC(CCNC(=O)c4cccs4)CC3)c2s1
Show InChI InChI=1S/C19H21N5O2S2/c20-17(25)15-10-13-16(28-15)18(23-11-22-13)24-7-4-12(5-8-24)3-6-21-19(26)14-2-1-9-27-14/h1-2,9-12H,3-8H2,(H2,20,25)(H,21,26)
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n/an/a 5.80n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of His-tagged SIRT1 (1 to 747) (unknown origin)-mediated deacetylation of Ac-RHKKAcW-NH2 substrate preincubated for 20 mins measured after...


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50431118
PNG
(CHEMBL2332041)
Show SMILES CC(C)(C)OC(=O)c1ccc(s1)C(=O)NCCC1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
Show InChI InChI=1S/C24H29N5O4S2/c1-24(2,3)33-23(32)17-5-4-16(34-17)22(31)26-9-6-14-7-10-29(11-8-14)21-19-15(27-13-28-21)12-18(35-19)20(25)30/h4-5,12-14H,6-11H2,1-3H3,(H2,25,30)(H,26,31)
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n/an/a 6.70n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of His-tagged SIRT1 (1 to 747) (unknown origin)-mediated deacetylation of Ac-RHKKAcW-NH2 substrate preincubated for 20 mins measured after...


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50431117
PNG
(CHEMBL2332042)
Show SMILES NC(=O)c1cc2ncnc(N3CCC(CCNC(=O)c4ccc(s4)C(O)=O)CC3)c2s1
Show InChI InChI=1S/C20H21N5O4S2/c21-17(26)15-9-12-16(31-15)18(24-10-23-12)25-7-4-11(5-8-25)3-6-22-19(27)13-1-2-14(30-13)20(28)29/h1-2,9-11H,3-8H2,(H2,21,26)(H,22,27)(H,28,29)
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n/an/a 14n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of His-tagged SIRT1 (1 to 747) (unknown origin)-mediated deacetylation of Ac-RHKKAcW-NH2 substrate preincubated for 20 mins measured after...


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50431096
PNG
(CHEMBL2332055)
Show SMILES CC(C)(C)C(=O)NCCC1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
Show InChI InChI=1S/C19H27N5O2S/c1-19(2,3)18(26)21-7-4-12-5-8-24(9-6-12)17-15-13(22-11-23-17)10-14(27-15)16(20)25/h10-12H,4-9H2,1-3H3,(H2,20,25)(H,21,26)
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n/an/a 15n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of His-tagged SIRT1 (1 to 747) (unknown origin)-mediated deacetylation of Ac-RHKKAcW-NH2 substrate preincubated for 20 mins measured after...


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50431115
PNG
(CHEMBL2332044)
Show SMILES CC(C)(C)OC(=O)NCCC1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
Show InChI InChI=1S/C19H27N5O3S/c1-19(2,3)27-18(26)21-7-4-12-5-8-24(9-6-12)17-15-13(22-11-23-17)10-14(28-15)16(20)25/h10-12H,4-9H2,1-3H3,(H2,20,25)(H,21,26)
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n/an/a 17n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of His-tagged SIRT1 (1 to 747) (unknown origin)-mediated deacetylation of Ac-RHKKAcW-NH2 substrate preincubated for 20 mins measured after...


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50431119
PNG
(CHEMBL2332040)
Show SMILES CCNC(=O)c1ccc(s1)C(=O)NCCN1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
Show InChI InChI=1S/C21H25N7O3S2/c1-2-23-20(30)14-3-4-15(32-14)21(31)24-5-6-27-7-9-28(10-8-27)19-17-13(25-12-26-19)11-16(33-17)18(22)29/h3-4,11-12H,2,5-10H2,1H3,(H2,22,29)(H,23,30)(H,24,31)
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n/an/a 31n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of His-tagged SIRT1 (1 to 747) (unknown origin)-mediated deacetylation of Ac-RHKKAcW-NH2 substrate preincubated for 20 mins measured after...


Citation and Details
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 38n/an/an/an/an/an/a



CeMM-Research Center for Molecular Medicine of the Austrian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged SIRT1 expressed in 293T cells by Fluor de Lys fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50431095
PNG
(CHEMBL2338808)
Show SMILES CC(C)(C)C(=O)NCCCC1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
Show InChI InChI=1S/C20H29N5O2S/c1-20(2,3)19(27)22-8-4-5-13-6-9-25(10-7-13)18-16-14(23-12-24-18)11-15(28-16)17(21)26/h11-13H,4-10H2,1-3H3,(H2,21,26)(H,22,27)
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n/an/a 42n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of His-tagged SIRT1 (1 to 747) (unknown origin)-mediated deacetylation of Ac-RHKKAcW-NH2 substrate preincubated for 20 mins measured after...


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50431089
PNG
(CHEMBL2338814)
Show SMILES NC(=O)c1cc2ncnc(N3CCN(CCN4CCCC4)CC3)c2s1
Show InChI InChI=1S/C17H24N6OS/c18-16(24)14-11-13-15(25-14)17(20-12-19-13)23-9-7-22(8-10-23)6-5-21-3-1-2-4-21/h11-12H,1-10H2,(H2,18,24)
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n/an/a 53n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of His-tagged SIRT1 (1 to 747) (unknown origin)-mediated deacetylation of Ac-RHKKAcW-NH2 substrate preincubated for 20 mins measured after...


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50431107
PNG
(CHEMBL2332052)
Show SMILES CC(=S)NCCC1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
Show InChI InChI=1S/C16H21N5OS2/c1-10(23)18-5-2-11-3-6-21(7-4-11)16-14-12(19-9-20-16)8-13(24-14)15(17)22/h8-9,11H,2-7H2,1H3,(H2,17,22)(H,18,23)
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n/an/a 56n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of His-tagged SIRT1 (1 to 747) (unknown origin)-mediated deacetylation of Ac-RHKKAcW-NH2 substrate preincubated for 20 mins measured after...


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50431103
PNG
(CHEMBL2338816)
Show SMILES CC(C)(C)C(=O)NCCC1CCN(CC1)c1ccnc2cc(sc12)C(N)=O
Show InChI InChI=1S/C20H28N4O2S/c1-20(2,3)19(26)23-8-4-13-6-10-24(11-7-13)15-5-9-22-14-12-16(18(21)25)27-17(14)15/h5,9,12-13H,4,6-8,10-11H2,1-3H3,(H2,21,25)(H,23,26)
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n/an/a 59n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of His-tagged SIRT1 (1 to 747) (unknown origin)-mediated deacetylation of Ac-RHKKAcW-NH2 substrate preincubated for 20 mins measured after...


Citation and Details
More data for this
Ligand-Target Pair
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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50431120
PNG
(CHEMBL2332038)
Show SMILES CCNC(=O)c1cccc(c1)C(=O)NCCN1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
Show InChI InChI=1S/C23H27N7O3S/c1-2-25-22(32)15-4-3-5-16(12-15)23(33)26-6-7-29-8-10-30(11-9-29)21-19-17(27-14-28-21)13-18(34-19)20(24)31/h3-5,12-14H,2,6-11H2,1H3,(H2,24,31)(H,25,32)(H,26,33)
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n/an/a 67n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of His-tagged SIRT1 (1 to 747) (unknown origin)-mediated deacetylation of Ac-RHKKAcW-NH2 substrate preincubated for 20 mins measured after...


Citation and Details
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 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


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50425824
PNG
(CHEMBL2312289)
Show SMILES NC(=O)[C@@H]1CCCc2c1[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)/t9-/m1/s1
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n/an/a 98n/an/an/an/an/an/a



Lilly Biotechnology Center San Diego

Curated by ChEMBL


Assay Description
Inhibition of full length SIRT1 (unknown origin) by fluorometric enzyme assay


Citation and Details
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 98n/an/an/an/an/an/a



Sirtris, A GSK Company

Curated by ChEMBL


Assay Description
Inhibition of SIRT1


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50346543
PNG
(CHEMBL1797750)
Show SMILES Cc1ccc(cc1)C1CC(=O)Nc2ccc3cc(C)ccc3c12
Show InChI InChI=1S/C21H19NO/c1-13-3-6-15(7-4-13)18-12-20(23)22-19-10-8-16-11-14(2)5-9-17(16)21(18)19/h3-11,18H,12H2,1-2H3,(H,22,23)
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n/an/a 98n/an/an/an/an/an/a



Ernst-Moritz-Arndt-University Greifswald

Curated by ChEMBL


Assay Description
Inhibition of SIRT1


Citation and Details
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 100n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant SIRT1 using ZMAL substrate after 4 hrs by homogeneous fluorescence assay


Citation and Details
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 100n/an/an/an/an/an/a



Sirtris, A GSK Company

Curated by ChEMBL


Assay Description
Inhibition of SIRT1 using Ac-His-Arg-Lys-Lys(Ac)-AMC as substrate


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50431090
PNG
(CHEMBL2338813)
Show SMILES NC(=O)c1cc2ncnc(N3CCC(CCN4CCCC4)CC3)c2s1
Show InChI InChI=1S/C18H25N5OS/c19-17(24)15-11-14-16(25-15)18(21-12-20-14)23-9-4-13(5-10-23)3-8-22-6-1-2-7-22/h11-13H,1-10H2,(H2,19,24)
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n/an/a 110n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of His-tagged SIRT1 (1 to 747) (unknown origin)-mediated deacetylation of Ac-RHKKAcW-NH2 substrate preincubated for 20 mins measured after...


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50431114
PNG
(CHEMBL2332045)
Show SMILES CC(=O)NCCC1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
Show InChI InChI=1S/C16H21N5O2S/c1-10(22)18-5-2-11-3-6-21(7-4-11)16-14-12(19-9-20-16)8-13(24-14)15(17)23/h8-9,11H,2-7H2,1H3,(H2,17,23)(H,18,22)
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n/an/a 110n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of His-tagged SIRT1 (1 to 747) (unknown origin)-mediated deacetylation of Ac-RHKKAcW-NH2 substrate preincubated for 20 mins measured after...


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50431094
PNG
(CHEMBL2338809)
Show SMILES CC(C)(C)C(=O)NCCN1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
Show InChI InChI=1S/C18H26N6O2S/c1-18(2,3)17(26)20-4-5-23-6-8-24(9-7-23)16-14-12(21-11-22-16)10-13(27-14)15(19)25/h10-11H,4-9H2,1-3H3,(H2,19,25)(H,20,26)
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n/an/a 120n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of His-tagged SIRT1 (1 to 747) (unknown origin)-mediated deacetylation of Ac-RHKKAcW-NH2 substrate preincubated for 20 mins measured after...


Citation and Details
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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50309833
PNG
((S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-car...)
Show SMILES NC(=O)[C@H]1CCCc2c1[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)/t9-/m0/s1
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n/an/a 160n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT1 by Flour de Lys assay


Citation and Details
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 160n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT1 expressed in Escherichia coli cells using acetylated Lys side chain amino acids 379-382 (Arg-His-Lys-Lys(Ac)) p...


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50431101
PNG
(CHEMBL2338818)
Show SMILES Cc1c(sc2c(ncnc12)N1CCC(CCNC(=O)C(C)(C)C)CC1)C(N)=O
Show InChI InChI=1S/C20H29N5O2S/c1-12-14-16(28-15(12)17(21)26)18(24-11-23-14)25-9-6-13(7-10-25)5-8-22-19(27)20(2,3)4/h11,13H,5-10H2,1-4H3,(H2,21,26)(H,22,27)
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n/an/a 180n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of His-tagged SIRT1 (1 to 747) (unknown origin)-mediated deacetylation of Ac-RHKKAcW-NH2 substrate preincubated for 20 mins measured after...


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50257407
PNG
(CHEMBL504310 | His-Lys-Lys(epsilon-thioAc)Ala-Met)
Show SMILES CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(O)=O
Show InChI InChI=1S/C28H49N9O6S2/c1-17(24(38)37-23(28(42)43)10-13-45-3)34-26(40)21(9-5-7-12-32-18(2)44)36-27(41)22(8-4-6-11-29)35-25(39)20(30)14-19-15-31-16-33-19/h15-17,20-23H,4-14,29-30H2,1-3H3,(H,31,33)(H,32,44)(H,34,40)(H,35,39)(H,36,41)(H,37,38)(H,42,43)/t17-,20-,21-,22-,23-/m0/s1
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n/an/a 180n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibition of recombinant SIRT1 (unknown origin) preincubated for 5 mins before addition of substrate measured after 1 hr by fluorescence-based assay


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50257289
PNG
(CHEMBL505399 | Ser-Lys-Lys(epsilon-thioAc)Thr-Ile)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(O)=O
Show InChI InChI=1S/C27H51N7O8S/c1-5-15(2)21(27(41)42)33-26(40)22(16(3)36)34-25(39)20(11-7-9-13-30-17(4)43)32-24(38)19(10-6-8-12-28)31-23(37)18(29)14-35/h15-16,18-22,35-36H,5-14,28-29H2,1-4H3,(H,30,43)(H,31,37)(H,32,38)(H,33,40)(H,34,39)(H,41,42)/t15-,16+,18-,19-,20-,21-,22-/m0/s1
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n/an/a 180n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibition of recombinant SIRT1 (unknown origin) preincubated for 5 mins before addition of substrate measured after 1 hr by fluorescence-based assay


Citation and Details
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 180n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of human full length SIRT1 expressed in DE3 cells by fluorimetric assay


Citation and Details
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


Citation and Details
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...


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50257348
PNG
(CHEMBL492925 | Ser-Ala-Lys(epsilon-thioAc)Thr-Ile)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(O)=O
Show InChI InChI=1S/C24H44N6O8S/c1-6-12(2)18(24(37)38)29-23(36)19(14(4)32)30-22(35)17(9-7-8-10-26-15(5)39)28-20(33)13(3)27-21(34)16(25)11-31/h12-14,16-19,31-32H,6-11,25H2,1-5H3,(H,26,39)(H,27,34)(H,28,33)(H,29,36)(H,30,35)(H,37,38)/t12-,13-,14+,16-,17-,18-,19-/m0/s1
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n/an/a 220n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibition of recombinant SIRT1 (unknown origin) preincubated for 5 mins before addition of substrate measured after 1 hr by fluorescence-based assay


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50257345
PNG
(CHEMBL510904 | His-Lys-Lys(epsilon-thioAc)Thr-Ile)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)C(O)=O
Show InChI InChI=1S/C30H53N9O7S/c1-5-17(2)24(30(45)46)38-29(44)25(18(3)40)39-28(43)23(11-7-9-13-34-19(4)47)37-27(42)22(10-6-8-12-31)36-26(41)21(32)14-20-15-33-16-35-20/h15-18,21-25,40H,5-14,31-32H2,1-4H3,(H,33,35)(H,34,47)(H,36,41)(H,37,42)(H,38,44)(H,39,43)(H,45,46)/t17-,18+,21-,22-,23-,24-,25-/m0/s1
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n/an/a 230n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibition of recombinant SIRT1 (unknown origin) preincubated for 5 mins before addition of substrate measured after 1 hr by fluorescence-based assay


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50326778
PNG
((S)-2-((S)-2-((S)-2-Acetamidopropanamido)-6-ethane...)
Show SMILES C[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](C)NC(C)=O)C(O)=O
Show InChI InChI=1S/C16H28N4O5S/c1-9(18-11(3)21)14(22)20-13(7-5-6-8-17-12(4)26)15(23)19-10(2)16(24)25/h9-10,13H,5-8H2,1-4H3,(H,17,26)(H,18,21)(H,19,23)(H,20,22)(H,24,25)/t9-,10-,13-/m0/s1
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n/an/a 240n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged SIRT1 after 1 hr by Fluor de Lys-based fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50326778
PNG
((S)-2-((S)-2-((S)-2-Acetamidopropanamido)-6-ethane...)
Show SMILES C[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](C)NC(C)=O)C(O)=O
Show InChI InChI=1S/C16H28N4O5S/c1-9(18-11(3)21)14(22)20-13(7-5-6-8-17-12(4)26)15(23)19-10(2)16(24)25/h9-10,13H,5-8H2,1-4H3,(H,17,26)(H,18,21)(H,19,23)(H,20,22)(H,24,25)/t9-,10-,13-/m0/s1
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n/an/a 240n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of GST-SIRT1 after 1 hr by Fluor de Lys fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50439469
PNG
(CHEMBL2417696)
Show SMILES CC(=S)NCCCC[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1)C(=O)NCC(=O)c1ccccc1
Show InChI InChI=1S/C29H36N4O6S/c1-20(40)30-15-9-8-14-24(27(36)31-17-26(35)22-12-6-3-7-13-22)32-28(37)25-16-23(34)18-33(25)29(38)39-19-21-10-4-2-5-11-21/h2-7,10-13,23-25,34H,8-9,14-19H2,1H3,(H,30,40)(H,31,36)(H,32,37)/t23-,24+,25+/m1/s1
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n/an/a 240n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged SIRT1 using KI177 as substrate preincubated for 5 mins followed by enzyme addition measured after 1 hr by ...


Citation and Details
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 260n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of His-tagged SIRT1 (1 to 747) (unknown origin)-mediated deacetylation of Ac-RHKKAcW-NH2 substrate preincubated for 20 mins measured after...


Citation and Details
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 280n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibition of SIRT1


Citation and Details
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 280n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibition of recombinant SIRT1 (unknown origin) preincubated for 5 mins before addition of substrate measured after 1 hr by fluorescence-based assay


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50336799
PNG
(5,5',5''-[1,3,6-naphthalenetriyltris(sulfonylimino...)
Show SMILES Cc1ccc(cc1NC(=O)c1cccc(NC(=O)Nc2cccc(c2)C(=O)Nc2cc(ccc2C)C(=O)Nc2ccc(c3cc(cc(c23)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)c1)C(=O)Nc1ccc(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O
Show InChI InChI=1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-24H,1-2H3,(H,54,60)(H,55,61)(H,56,58)(H,57,59)(H2,52,53,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)
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n/an/a 300n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant SIRT1 using ZMAL substrate after 4 hrs by homogeneous fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50336799
PNG
(5,5',5''-[1,3,6-naphthalenetriyltris(sulfonylimino...)
Show SMILES Cc1ccc(cc1NC(=O)c1cccc(NC(=O)Nc2cccc(c2)C(=O)Nc2cc(ccc2C)C(=O)Nc2ccc(c3cc(cc(c23)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)c1)C(=O)Nc1ccc(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O
Show InChI InChI=1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-24H,1-2H3,(H,54,60)(H,55,61)(H,56,58)(H,57,59)(H2,52,53,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)
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n/an/a 300n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged SIRT1 expressed in Escherichia coli BL21(DE3) assessed as inhibition of ZMAL conversion to ZML after 4 hrs by fluoresc...


Citation and Details
More data for this
Ligand-Target Pair
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