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Compile Data Set for Download or QSAR

Found 727 hits Enz. Inhib. hit(s) with Target = 'NAD-dependent deacetylase sirtuin 3' 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 3


(Homo sapiens)
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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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)...


Citation and Details
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 3


(Homo sapiens)
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...


Citation and Details
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 3


(Homo sapiens)
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...


Citation and Details
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (human))
BDBM50070588
PNG
(CHEMBL3408821)
Show SMILES CCCCCCCCn1c2CCNCc2c2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C26H34N2O2S/c1-3-4-5-6-7-8-17-28-25-14-11-21(18-23(25)24-19-27-16-15-26(24)28)20-9-12-22(13-10-20)31(2,29)30/h9-14,18,27H,3-8,15-17,19H2,1-2H3
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2.28E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Non-competitive inhibition of human recombinant SIRT2 using Z-QPK(Me)2K(Ac) as substrate assessed as decrease in maximal enzyme activity preincubated...


Citation and Details
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (human))
BDBM50070588
PNG
(CHEMBL3408821)
Show SMILES CCCCCCCCn1c2CCNCc2c2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C26H34N2O2S/c1-3-4-5-6-7-8-17-28-25-14-11-21(18-23(25)24-19-27-16-15-26(24)28)20-9-12-22(13-10-20)31(2,29)30/h9-14,18,27H,3-8,15-17,19H2,1-2H3
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3.70E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Non-competitive inhibition of human recombinant SIRT2 using Z-QPK(Me)2K(Ac) as substrate assessed as decrease in maximal enzyme activity preincubated...


Citation and Details
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(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 1.10n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of His-tagged SIRT2 (1 to 389) (unknown origin)-mediated deacetylation of Ac-RHKKAcW-NH2 substrate incubated for 20 mins prior to substrat...


Citation and Details
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(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 1.30n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of His-tagged SIRT2 (1 to 389) (unknown origin)-mediated deacetylation of Ac-RHKKAcW-NH2 substrate incubated for 20 mins prior to substrat...


Citation and Details
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(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 1.80n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of His-tagged SIRT2 (1 to 389) (unknown origin)-mediated deacetylation of Ac-RHKKAcW-NH2 substrate incubated for 20 mins prior to substrat...


Citation and Details
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(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 2.70n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of His-tagged SIRT2 (1 to 389) (unknown origin)-mediated deacetylation of Ac-RHKKAcW-NH2 substrate incubated for 20 mins prior to substrat...


Citation and Details
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 3


(Homo sapiens)
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 3.20n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged SIRT3 (102 to 399) expressed in Escherichia coli BL21(DE3) assessed as inhibition of deacetylation of Ac-RHKKAcW-NH2 s...


Citation and Details
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 3


(Homo sapiens)
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 4n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged SIRT3 (102 to 399) expressed in Escherichia coli BL21(DE3) assessed as inhibition of deacetylation of Ac-RHKKAcW-NH2 s...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
NAD-dependent deacetylase sirtuin 2


(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 4.40n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of His-tagged SIRT2 (1 to 389) (unknown origin)-mediated deacetylation of Ac-RHKKAcW-NH2 substrate incubated for 20 mins prior to substrat...


Citation and Details
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(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 4.80n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of His-tagged SIRT2 (1 to 389) (unknown origin)-mediated deacetylation of Ac-RHKKAcW-NH2 substrate incubated for 20 mins prior to substrat...


Citation and Details
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 3


(Homo sapiens)
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 4.90n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged SIRT3 (102 to 399) expressed in Escherichia coli BL21(DE3) assessed as inhibition of deacetylation of Ac-RHKKAcW-NH2 s...


Citation and Details
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(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 5.40n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of His-tagged SIRT2 (1 to 389) (unknown origin)-mediated deacetylation of Ac-RHKKAcW-NH2 substrate incubated for 20 mins prior to substrat...


Citation and Details
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(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 6.5n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of His-tagged SIRT2 (1 to 389) (unknown origin)-mediated deacetylation of Ac-RHKKAcW-NH2 substrate incubated for 20 mins prior to substrat...


Citation and Details
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 3


(Homo sapiens)
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 7.20n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged SIRT3 (102 to 399) expressed in Escherichia coli BL21(DE3) assessed as inhibition of deacetylation of Ac-RHKKAcW-NH2 s...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
NAD-dependent deacetylase sirtuin 3


(Homo sapiens)
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 7.60n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged SIRT3 (102 to 399) expressed in Escherichia coli BL21(DE3) assessed as inhibition of deacetylation of Ac-RHKKAcW-NH2 s...


Citation and Details
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(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 10n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of His-tagged SIRT2 (1 to 389) (unknown origin)-mediated deacetylation of Ac-RHKKAcW-NH2 substrate incubated for 20 mins prior to substrat...


Citation and Details
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(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 10n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of His-tagged SIRT2 (1 to 389) (unknown origin)-mediated deacetylation of Ac-RHKKAcW-NH2 substrate incubated for 20 mins prior to substrat...


Citation and Details
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 3


(Homo sapiens)
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 13n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged SIRT3 (102 to 399) expressed in Escherichia coli BL21(DE3) assessed as inhibition of deacetylation of Ac-RHKKAcW-NH2 s...


Citation and Details
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(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 16n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of His-tagged SIRT2 (1 to 389) (unknown origin)-mediated deacetylation of Ac-RHKKAcW-NH2 substrate incubated for 20 mins prior to substrat...


Citation and Details
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(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 17n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of His-tagged SIRT2 (1 to 389) (unknown origin)-mediated deacetylation of Ac-RHKKAcW-NH2 substrate incubated for 20 mins prior to substrat...


Citation and Details
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(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 23n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of His-tagged SIRT2 (1 to 389) (unknown origin)-mediated deacetylation of Ac-RHKKAcW-NH2 substrate incubated for 20 mins prior to substrat...


Citation and Details
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 3


(Homo sapiens)
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 23n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged SIRT3 (102 to 399) expressed in Escherichia coli BL21(DE3) assessed as inhibition of deacetylation of Ac-RHKKAcW-NH2 s...


Citation and Details
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 3


(Homo sapiens)
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 24n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged SIRT3 (102 to 399) expressed in Escherichia coli BL21(DE3) assessed as inhibition of deacetylation of Ac-RHKKAcW-NH2 s...


Citation and Details
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 3


(Homo sapiens)
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 28n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged SIRT3 (102 to 399) expressed in Escherichia coli BL21(DE3) assessed as inhibition of deacetylation of Ac-RHKKAcW-NH2 s...


Citation and Details
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(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 28n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of His-tagged SIRT2 (1 to 389) (unknown origin)-mediated deacetylation of Ac-RHKKAcW-NH2 substrate incubated for 20 mins prior to substrat...


Citation and Details
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 3


(Homo sapiens)
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 29n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged SIRT3 (102 to 399) expressed in Escherichia coli BL21(DE3) assessed as inhibition of deacetylation of Ac-RHKKAcW-NH2 s...


Citation and Details
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(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 29n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of His-tagged SIRT2 (1 to 389) (unknown origin)-mediated deacetylation of Ac-RHKKAcW-NH2 substrate incubated for 20 mins prior to substrat...


Citation and Details
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 3


(Homo sapiens)
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 30n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged SIRT3 (102 to 399) expressed in Escherichia coli BL21(DE3) assessed as inhibition of deacetylation of Ac-RHKKAcW-NH2 s...


Citation and Details
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(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 30n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of His-tagged SIRT2 (1 to 389) (unknown origin)-mediated deacetylation of Ac-RHKKAcW-NH2 substrate incubated for 20 mins prior to substrat...


Citation and Details
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 3


(Homo sapiens)
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 33n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged SIRT3 (102 to 399) expressed in Escherichia coli BL21(DE3) assessed as inhibition of deacetylation of Ac-RHKKAcW-NH2 s...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
NAD-dependent deacetylase sirtuin 3


(Homo sapiens)
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 39n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged SIRT3 (102 to 399) expressed in Escherichia coli BL21(DE3) assessed as inhibition of deacetylation of Ac-RHKKAcW-NH2 s...


Citation and Details
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...


Citation and Details
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (human))
BDBM50431092
PNG
(CHEMBL2338811)
Show SMILES CS(=O)(=O)NCCN1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
Show InChI InChI=1S/C14H20N6O3S2/c1-25(22,23)18-2-3-19-4-6-20(7-5-19)14-12-10(16-9-17-14)8-11(24-12)13(15)21/h8-9,18H,2-7H2,1H3,(H2,15,21)
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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 SIRT2 (1 to 389) (unknown origin)-mediated deacetylation of Ac-RHKKAcW-NH2 substrate incubated for 20 mins prior to substrat...


Citation and Details
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 3


(Homo sapiens)
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 56n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged SIRT3 (102 to 399) expressed in Escherichia coli BL21(DE3) assessed as inhibition of deacetylation of Ac-RHKKAcW-NH2 s...


Citation and Details
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 3


(Homo sapiens)
BDBM50431091
PNG
(CHEMBL2338812)
Show SMILES NC(=O)c1cc2ncnc(N3CCC(CN4CCCC4)CC3)c2s1
Show InChI InChI=1S/C17H23N5OS/c18-16(23)14-9-13-15(24-14)17(20-11-19-13)22-7-3-12(4-8-22)10-21-5-1-2-6-21/h9,11-12H,1-8,10H2,(H2,18,23)
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n/an/a 61n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged SIRT3 (102 to 399) expressed in Escherichia coli BL21(DE3) assessed as inhibition of deacetylation of Ac-RHKKAcW-NH2 s...


Citation and Details
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(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 67n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of His-tagged SIRT2 (1 to 389) (unknown origin)-mediated deacetylation of Ac-RHKKAcW-NH2 substrate incubated for 20 mins prior to substrat...


Citation and Details
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 3


(Homo sapiens)
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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Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged SIRT3 (102 to 399) expressed in Escherichia coli BL21(DE3) assessed as inhibition of deacetylation of Ac-RHKKAcW-NH2 s...


Citation and Details
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...


Citation and Details
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 3


(Homo sapiens)
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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Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged SIRT3 (102 to 399) expressed in Escherichia coli BL21(DE3) assessed as inhibition of deacetylation of Ac-RHKKAcW-NH2 s...


Citation and Details
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 3


(Homo sapiens)
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 110n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged SIRT3 (102 to 399) expressed in Escherichia coli BL21(DE3) assessed as inhibition of deacetylation of Ac-RHKKAcW-NH2 s...


Citation and Details
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (human))
BDBM50431113
PNG
(CHEMBL2332046)
Show SMILES NCCC1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
Show InChI InChI=1S/C14H19N5OS/c15-4-1-9-2-5-19(6-3-9)14-12-10(17-8-18-14)7-11(21-12)13(16)20/h7-9H,1-6,15H2,(H2,16,20)
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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 SIRT2 (1 to 389) (unknown origin)-mediated deacetylation of Ac-RHKKAcW-NH2 substrate incubated for 20 mins prior to substrat...


Citation and Details
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (human))
BDBM50431106
PNG
(CHEMBL2332053)
Show SMILES CC(=S)NCCN1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
Show InChI InChI=1S/C15H20N6OS2/c1-10(23)17-2-3-20-4-6-21(7-5-20)15-13-11(18-9-19-15)8-12(24-13)14(16)22/h8-9H,2-7H2,1H3,(H2,16,22)(H,17,23)
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n/an/a 130n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of His-tagged SIRT2 (1 to 389) (unknown origin)-mediated deacetylation of Ac-RHKKAcW-NH2 substrate incubated for 20 mins prior to substrat...


Citation and Details
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(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 130n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of His-tagged SIRT2 (1 to 389) (unknown origin)-mediated deacetylation of Ac-RHKKAcW-NH2 substrate incubated for 20 mins prior to substrat...


Citation and Details
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 3


(Homo sapiens)
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 150n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged SIRT3 (102 to 399) expressed in Escherichia coli BL21(DE3) assessed as inhibition of deacetylation of Ac-RHKKAcW-NH2 s...


Citation and Details
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (human))
BDBM50431104
PNG
(CHEMBL2338815)
Show SMILES CC(C)(C)C(=O)NCCC1CCN(CC1)c1ncnc2cc(oc12)C(N)=O
Show InChI InChI=1S/C19H27N5O3/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 150n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of His-tagged SIRT2 (1 to 389) (unknown origin)-mediated deacetylation of Ac-RHKKAcW-NH2 substrate incubated for 20 mins prior to substrat...


Citation and Details
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (human))
BDBM50431108
PNG
(CHEMBL2332051)
Show SMILES CC(=O)NCCN1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
Show InChI InChI=1S/C15H20N6O2S/c1-10(22)17-2-3-20-4-6-21(7-5-20)15-13-11(18-9-19-15)8-12(24-13)14(16)23/h8-9H,2-7H2,1H3,(H2,16,23)(H,17,22)
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n/an/a 170n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of His-tagged SIRT2 (1 to 389) (unknown origin)-mediated deacetylation of Ac-RHKKAcW-NH2 substrate incubated for 20 mins prior to substrat...


Citation and Details
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (human))
BDBM50431091
PNG
(CHEMBL2338812)
Show SMILES NC(=O)c1cc2ncnc(N3CCC(CN4CCCC4)CC3)c2s1
Show InChI InChI=1S/C17H23N5OS/c18-16(23)14-9-13-15(24-14)17(20-11-19-13)22-7-3-12(4-8-22)10-21-5-1-2-6-21/h9,11-12H,1-8,10H2,(H2,18,23)
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n/an/a 220n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of His-tagged SIRT2 (1 to 389) (unknown origin)-mediated deacetylation of Ac-RHKKAcW-NH2 substrate incubated for 20 mins prior to substrat...


Citation and Details
More data for this
Ligand-Target Pair
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