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Compile Data Set for Download or QSAR

Found 40 hits Enz. Inhib. hit(s) with Target = 'NAD-dependent protein deacetylase sirtuin-6'   
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
Sirtuin-6 (SIRT6)


(Homo sapiens (Human))
BDBM228816
PNG
(5-Cl-PZA)
Show SMILES NC(=O)c1cnc(Cl)cn1
Show InChI InChI=1S/C5H4ClN3O/c6-4-2-8-3(1-9-4)5(7)10/h1-2H,(H2,7,10)
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n/an/a 3.32E+4n/an/an/an/an/an/a



University at Albany



Assay Description
Inhibitory constants (Ki) and IC50 values were determined under saturating substrate conditions by using a fluorimetric assay (components were purcha...


Chembiochem 18: 931-940 (2017)

More data for this
Ligand-Target Pair
Sirtuin-6 (SIRT6)


(Homo sapiens (Human))
BDBM50123364
PNG
(CHEMBL3622696)
Show SMILES O=c1[nH]c2ccc(cc2c(=O)[nH]1)S(=O)(=O)Nc1cccc(CCc2ccncc2)c1
Show InChI InChI=1S/C21H18N4O4S/c26-20-18-13-17(6-7-19(18)23-21(27)24-20)30(28,29)25-16-3-1-2-15(12-16)5-4-14-8-10-22-11-9-14/h1-3,6-13,25H,4-5H2,(H2,23,24,26,27)
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n/an/a 3.70E+4n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of human SIRT6 deacetylase activity using Arg-His-Lys-Lys(AC)-AMC as a substrate by fluorescence assay


Eur J Med Chem 102: 530-9 (2015)

More data for this
Ligand-Target Pair
Sirtuin-6 (SIRT6)


(Homo sapiens (Human))
BDBM50123399
PNG
(CHEMBL3623254)
Show SMILES Cn1c2ccc(cc2c(=O)n(C)c1=O)S(=O)(=O)Nc1ccc(Cc2ccncc2)cc1
Show InChI InChI=1S/C22H20N4O4S/c1-25-20-8-7-18(14-19(20)21(27)26(2)22(25)28)31(29,30)24-17-5-3-15(4-6-17)13-16-9-11-23-12-10-16/h3-12,14,24H,13H2,1-2H3
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n/an/a 3.80E+4n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT6 deacetylase activity using Arg-His-Lys-Lys(AC)-AMC as a substrate by luminescence assay


Eur J Med Chem 102: 530-9 (2015)

More data for this
Ligand-Target Pair
Sirtuin-6 (SIRT6)


(Homo sapiens (Human))
BDBM228815
PNG
(5-MeO-PZA)
Show SMILES COc1cnc(cn1)C(N)=O
Show InChI InChI=1S/C6H7N3O2/c1-11-5-3-8-4(2-9-5)6(7)10/h2-3H,1H3,(H2,7,10)
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n/an/a 4.04E+4n/an/an/an/an/an/a



University at Albany



Assay Description
Inhibitory constants (Ki) and IC50 values were determined under saturating substrate conditions by using a fluorimetric assay (components were purcha...


Chembiochem 18: 931-940 (2017)

More data for this
Ligand-Target Pair
Sirtuin-6 (SIRT6)


(Homo sapiens (Human))
BDBM50257405
PNG
(Ala-Lys-Lys(epsilon-thioAc)Leu-Met | CHEMBL504711)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)N)C(O)=O
Show InChI InChI=1S/C28H53N7O6S2/c1-17(2)16-23(27(39)34-22(28(40)41)12-15-43-5)35-26(38)21(11-7-9-14-31-19(4)42)33-25(37)20(10-6-8-13-29)32-24(36)18(3)30/h17-18,20-23H,6-16,29-30H2,1-5H3,(H,31,42)(H,32,36)(H,33,37)(H,34,39)(H,35,38)(H,40,41)/t18-,20-,21-,22-,23-/m0/s1
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n/an/a 4.70E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant SIRT6 assessed as 7-amino-4-methylcoumarin labelled Arg-His-Lys-Lys(epsilon-acetyl) substrate deacetylation after 90 ...


Citation and Details
More data for this
Ligand-Target Pair
Sirtuin-6 (SIRT6)


(Homo sapiens (Human))
BDBM50123399
PNG
(CHEMBL3623254)
Show SMILES Cn1c2ccc(cc2c(=O)n(C)c1=O)S(=O)(=O)Nc1ccc(Cc2ccncc2)cc1
Show InChI InChI=1S/C22H20N4O4S/c1-25-20-8-7-18(14-19(20)21(27)26(2)22(25)28)31(29,30)24-17-5-3-15(4-6-17)13-16-9-11-23-12-10-16/h3-12,14,24H,13H2,1-2H3
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n/an/a 4.90E+4n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of human SIRT6 deacetylase activity using Arg-His-Lys-Lys(AC)-AMC as a substrate by fluorescence assay


Eur J Med Chem 102: 530-9 (2015)

More data for this
Ligand-Target Pair
Sirtuin-6 (SIRT6)


(Homo sapiens (Human))
BDBM50123364
PNG
(CHEMBL3622696)
Show SMILES O=c1[nH]c2ccc(cc2c(=O)[nH]1)S(=O)(=O)Nc1cccc(CCc2ccncc2)c1
Show InChI InChI=1S/C21H18N4O4S/c26-20-18-13-17(6-7-19(18)23-21(27)24-20)30(28,29)25-16-3-1-2-15(12-16)5-4-14-8-10-22-11-9-14/h1-3,6-13,25H,4-5H2,(H2,23,24,26,27)
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n/an/a 5.50E+4n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT6 deacetylase activity using Arg-His-Lys-Lys(AC)-AMC as a substrate by luminescence assay


Eur J Med Chem 102: 530-9 (2015)

More data for this
Ligand-Target Pair
Sirtuin-6 (SIRT6)


(Homo sapiens (Human))
BDBM50123357
PNG
(CHEMBL3622695)
Show SMILES O=c1[nH]c2ccc(cc2c(=O)[nH]1)S(=O)(=O)Nc1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C18H15N5O4S/c24-17-15-9-14(5-6-16(15)20-18(25)21-17)28(26,27)22-13-3-1-12(2-4-13)10-23-8-7-19-11-23/h1-9,11,22H,10H2,(H2,20,21,24,25)
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n/an/a 6.00E+4n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of human SIRT6 deacetylase activity using Arg-His-Lys-Lys(AC)-AMC as a substrate by fluorescence assay


Eur J Med Chem 102: 530-9 (2015)

More data for this
Ligand-Target Pair
Sirtuin-6 (SIRT6)


(Homo sapiens (Human))
BDBM50123400
PNG
(CHEMBL3623256)
Show SMILES Cn1c2ccc(cc2sc1=O)S(=O)(=O)Nc1ccc(Oc2cccnc2)cc1
Show InChI InChI=1S/C19H15N3O4S2/c1-22-17-9-8-16(11-18(17)27-19(22)23)28(24,25)21-13-4-6-14(7-5-13)26-15-3-2-10-20-12-15/h2-12,21H,1H3
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n/an/a 7.70E+4n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of human SIRT6 deacetylase activity using Arg-His-Lys-Lys(AC)-AMC as a substrate by fluorescence assay


Eur J Med Chem 102: 530-9 (2015)

More data for this
Ligand-Target Pair
Sirtuin-6 (SIRT6)


(Homo sapiens (Human))
BDBM50257239
PNG
(CHEMBL447677 | His-Lys-Lys(epsilon-thioAc)-Leu-Met)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)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/C31H55N9O6S2/c1-19(2)15-26(30(44)39-25(31(45)46)11-14-48-4)40-29(43)24(10-6-8-13-35-20(3)47)38-28(42)23(9-5-7-12-32)37-27(41)22(33)16-21-17-34-18-36-21/h17-19,22-26H,5-16,32-33H2,1-4H3,(H,34,36)(H,35,47)(H,37,41)(H,38,42)(H,39,44)(H,40,43)(H,45,46)/t22-,23-,24-,25-,26-/m0/s1
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n/an/a 7.80E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant SIRT6 assessed as 7-amino-4-methylcoumarin labelled Arg-His-Lys-Lys(epsilon-acetyl) substrate deacetylation after 90 ...


Citation and Details
More data for this
Ligand-Target Pair
Sirtuin-6 (SIRT6)


(Homo sapiens (Human))
BDBM50123404
PNG
(CHEMBL3623250)
Show SMILES Cn1ccc2cc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c(=O)c4c3)ccc12
Show InChI InChI=1S/C17H14N4O4S/c1-21-7-6-10-8-11(2-5-15(10)21)20-26(24,25)12-3-4-14-13(9-12)16(22)19-17(23)18-14/h2-9,20H,1H3,(H2,18,19,22,23)
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n/an/a 8.20E+4n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT6 deacetylase activity using Arg-His-Lys-Lys(AC)-AMC as a substrate by luminescence assay


Eur J Med Chem 102: 530-9 (2015)

More data for this
Ligand-Target Pair
Sirtuin-6 (SIRT6)


(Homo sapiens (Human))
BDBM50017342
PNG
(CHEMBL1588664)
Show SMILES OC(=O)c1cc(NC(=O)c2cccc(NC(=O)c3ccco3)c2)ccc1O
Show InChI InChI=1S/C19H14N2O6/c22-15-7-6-13(10-14(15)19(25)26)20-17(23)11-3-1-4-12(9-11)21-18(24)16-5-2-8-27-16/h1-10,22H,(H,20,23)(H,21,24)(H,25,26)
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n/an/a 8.90E+4n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of SIRT6 (unknown origin)


J Med Chem 57: 4796-804 (2014)

More data for this
Ligand-Target Pair
Sirtuin-6 (SIRT6)


(Homo sapiens (Human))
BDBM50123400
PNG
(CHEMBL3623256)
Show SMILES Cn1c2ccc(cc2sc1=O)S(=O)(=O)Nc1ccc(Oc2cccnc2)cc1
Show InChI InChI=1S/C19H15N3O4S2/c1-22-17-9-8-16(11-18(17)27-19(22)23)28(24,25)21-13-4-6-14(7-5-13)26-15-3-2-10-20-12-15/h2-12,21H,1H3
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n/an/a 1.02E+5n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT6 deacetylase activity using Arg-His-Lys-Lys(AC)-AMC as a substrate by luminescence assay


Eur J Med Chem 102: 530-9 (2015)

More data for this
Ligand-Target Pair
Sirtuin-6 (SIRT6)


(Homo sapiens (Human))
BDBM50017341
PNG
(CHEMBL3288034)
Show SMILES O=c1[nH]c2ccc(cc2c(=O)[nH]1)S(=O)(=O)Nc1ccc(Oc2cccnc2)cc1
Show InChI InChI=1S/C19H14N4O5S/c24-18-16-10-15(7-8-17(16)21-19(25)22-18)29(26,27)23-12-3-5-13(6-4-12)28-14-2-1-9-20-11-14/h1-11,23H,(H2,21,22,24,25)
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n/an/a 1.06E+5n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of SIRT6 (unknown origin)


J Med Chem 57: 4796-804 (2014)

More data for this
Ligand-Target Pair
Sirtuin-6 (SIRT6)


(Homo sapiens (Human))
BDBM50017341
PNG
(CHEMBL3288034)
Show SMILES O=c1[nH]c2ccc(cc2c(=O)[nH]1)S(=O)(=O)Nc1ccc(Oc2cccnc2)cc1
Show InChI InChI=1S/C19H14N4O5S/c24-18-16-10-15(7-8-17(16)21-19(25)22-18)29(26,27)23-12-3-5-13(6-4-12)28-14-2-1-9-20-11-14/h1-11,23H,(H2,21,22,24,25)
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n/an/a 1.06E+5n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of human SIRT6 deacetylase activity using Arg-His-Lys-Lys(AC)-AMC as a substrate by fluorescence assay


Eur J Med Chem 102: 530-9 (2015)

More data for this
Ligand-Target Pair
Sirtuin-6 (SIRT6)


(Homo sapiens (Human))
BDBM50123451
PNG
(CHEMBL3623255)
Show SMILES O=c1[nH]c2ccc(cc2c(=O)[nH]1)S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C20H15N3O5S/c24-19-17-12-16(10-11-18(17)21-20(25)22-19)29(26,27)23-13-6-8-15(9-7-13)28-14-4-2-1-3-5-14/h1-12,23H,(H2,21,22,24,25)
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n/an/a 1.27E+5n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT6 deacetylase activity using Arg-His-Lys-Lys(AC)-AMC as a substrate by luminescence assay


Eur J Med Chem 102: 530-9 (2015)

More data for this
Ligand-Target Pair
Sirtuin-6 (SIRT6)


(Homo sapiens (Human))
BDBM50017341
PNG
(CHEMBL3288034)
Show SMILES O=c1[nH]c2ccc(cc2c(=O)[nH]1)S(=O)(=O)Nc1ccc(Oc2cccnc2)cc1
Show InChI InChI=1S/C19H14N4O5S/c24-18-16-10-15(7-8-17(16)21-19(25)22-18)29(26,27)23-12-3-5-13(6-4-12)28-14-2-1-9-20-11-14/h1-11,23H,(H2,21,22,24,25)
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n/an/a 1.36E+5n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT6 deacetylase activity using Arg-His-Lys-Lys(AC)-AMC as a substrate by luminescence assay


Eur J Med Chem 102: 530-9 (2015)

More data for this
Ligand-Target Pair
Sirtuin-6 (SIRT6)


(Homo sapiens (Human))
BDBM50123372
PNG
(CHEMBL3623251)
Show SMILES O=c1[nH]c2ccc(cc2c(=O)[nH]1)S(=O)(=O)Nc1ccccc1-c1ccccc1
Show InChI InChI=1S/C20H15N3O4S/c24-19-16-12-14(10-11-17(16)21-20(25)22-19)28(26,27)23-18-9-5-4-8-15(18)13-6-2-1-3-7-13/h1-12,23H,(H2,21,22,24,25)
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n/an/a 1.37E+5n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT6 deacetylase activity using Arg-His-Lys-Lys(AC)-AMC as a substrate by luminescence assay


Eur J Med Chem 102: 530-9 (2015)

More data for this
Ligand-Target Pair
Sirtuin-6 (SIRT6)


(Homo sapiens (Human))
BDBM50123372
PNG
(CHEMBL3623251)
Show SMILES O=c1[nH]c2ccc(cc2c(=O)[nH]1)S(=O)(=O)Nc1ccccc1-c1ccccc1
Show InChI InChI=1S/C20H15N3O4S/c24-19-16-12-14(10-11-17(16)21-20(25)22-19)28(26,27)23-18-9-5-4-8-15(18)13-6-2-1-3-7-13/h1-12,23H,(H2,21,22,24,25)
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n/an/a 1.37E+5n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of human SIRT6 deacetylase activity using Arg-His-Lys-Lys(AC)-AMC as a substrate by fluorescence assay


Eur J Med Chem 102: 530-9 (2015)

More data for this
Ligand-Target Pair
Sirtuin-6 (SIRT6)


(Homo sapiens (Human))
BDBM50017344
PNG
(CHEMBL3288044)
Show SMILES OC(=O)c1ccc(cc1)N1C(=O)CC(SC(=N)Nc2ccccc2)C1=O
Show InChI InChI=1S/C18H15N3O4S/c19-18(20-12-4-2-1-3-5-12)26-14-10-15(22)21(16(14)23)13-8-6-11(7-9-13)17(24)25/h1-9,14H,10H2,(H2,19,20)(H,24,25)
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n/an/a 1.81E+5n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of SIRT6 (unknown origin)


J Med Chem 57: 4796-804 (2014)

More data for this
Ligand-Target Pair
Sirtuin-6 (SIRT6)


(Homo sapiens (Human))
BDBM27507
PNG
(3-Pyridinecarboxamide | CHEMBL1140 | NAM | niacina...)
Show SMILES NC(=O)c1cccnc1
Show InChI InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)
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n/an/a 1.84E+5n/an/an/an/an/an/a



Guiyang Medical University

Curated by ChEMBL


Assay Description
Inhibition of SIRT6 (unknown origin) using AMC containing peptide substructure by fluorogenic assay


Eur J Med Chem 96: 245-9 (2015)

More data for this
Ligand-Target Pair
Sirtuin-6 (SIRT6)


(Homo sapiens (Human))
BDBM27507
PNG
(3-Pyridinecarboxamide | CHEMBL1140 | NAM | niacina...)
Show SMILES NC(=O)c1cccnc1
Show InChI InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)
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n/an/a 1.89E+5n/an/an/an/an/an/a



University at Albany



Assay Description
Inhibitory constants (Ki) and IC50 values were determined under saturating substrate conditions by using a fluorimetric assay (components were purcha...


Chembiochem 18: 931-940 (2017)

More data for this
Ligand-Target Pair
Sirtuin-6 (SIRT6)


(Homo sapiens (Human))
BDBM27507
PNG
(3-Pyridinecarboxamide | CHEMBL1140 | NAM | niacina...)
Show SMILES NC(=O)c1cccnc1
Show InChI InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)
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n/an/a 2.00E+5n/an/an/an/an/an/a



Guiyang Medical University

Curated by ChEMBL


Assay Description
Inhibition of SIRT6 (unknown origin) using (DABCYL)ISGASE(MyK)DIVHSE(EDANS)G substrate in presence of NAD followed by 1 hr incubation with trypsin by...


Eur J Med Chem 96: 245-9 (2015)

More data for this
Ligand-Target Pair
Sirtuin-6 (SIRT6)


(Homo sapiens (Human))
BDBM234208
PNG
(US9359293, TM)
Show SMILES CCCCCCCCCCCCCC(=S)NCCCCC(NC(=O)Oc1ccccc1)C(=O)Nc1ccccc1
Show InChI InChI=1/C33H49N3O3S/c1-2-3-4-5-6-7-8-9-10-11-18-26-31(40)34-27-20-19-25-30(32(37)35-28-21-14-12-15-22-28)36-33(38)39-29-23-16-13-17-24-29/h12-17,21-24,30H,2-11,18-20,25-27H2,1H3,(H,34,40)(H,35,37)(H,36,38)
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n/an/a>2.05E+5n/an/an/an/an/an/a



CORNELL UNIVERSITY

US Patent


Assay Description
Different concentrations of TA, TB, TH, or TM were pre-incubated with 1 μM of the sirtuin and 1 mM NAD in 20 mM Tris-HCl buffer (pH 8.0) with 1 ...


US Patent US9359293 (2016)

More data for this
Ligand-Target Pair
Sirtuin-6 (SIRT6)


(Homo sapiens (Human))
BDBM234207
PNG
(US9359293, TH)
Show SMILES CCCCCCC(=S)NCCCCC(NC(=O)Oc1ccccc1)C(=O)Nc1ccccc1
Show InChI InChI=1/C26H35N3O3S/c1-2-3-4-11-19-24(33)27-20-13-12-18-23(25(30)28-21-14-7-5-8-15-21)29-26(31)32-22-16-9-6-10-17-22/h5-10,14-17,23H,2-4,11-13,18-20H2,1H3,(H,27,33)(H,28,30)(H,29,31)
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n/an/a>2.05E+5n/an/an/an/an/an/a



CORNELL UNIVERSITY

US Patent


Assay Description
Different concentrations of TA, TB, TH, or TM were pre-incubated with 1 μM of the sirtuin and 1 mM NAD in 20 mM Tris-HCl buffer (pH 8.0) with 1 ...


US Patent US9359293 (2016)

More data for this
Ligand-Target Pair
Sirtuin-6 (SIRT6)


(Homo sapiens (Human))
BDBM234206
PNG
(US9359293, TB)
Show SMILES CCCC(=S)NCCCCC(NC(=O)Oc1ccccc1)C(=O)Nc1ccccc1
Show InChI InChI=1/C23H29N3O3S/c1-2-11-21(30)24-17-10-9-16-20(22(27)25-18-12-5-3-6-13-18)26-23(28)29-19-14-7-4-8-15-19/h3-8,12-15,20H,2,9-11,16-17H2,1H3,(H,24,30)(H,25,27)(H,26,28)
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n/an/a>2.05E+5n/an/an/an/an/an/a



CORNELL UNIVERSITY

US Patent


Assay Description
Different concentrations of TA, TB, TH, or TM were pre-incubated with 1 μM of the sirtuin and 1 mM NAD in 20 mM Tris-HCl buffer (pH 8.0) with 1 ...


US Patent US9359293 (2016)

More data for this
Ligand-Target Pair
Sirtuin-6 (SIRT6)


(Homo sapiens (Human))
BDBM234205
PNG
(US9359293, TA)
Show SMILES CC(=S)NCCCCC(NC(=O)Oc1ccccc1)C(=O)Nc1ccccc1
Show InChI InChI=1/C21H25N3O3S/c1-16(28)22-15-9-8-14-19(20(25)23-17-10-4-2-5-11-17)24-21(26)27-18-12-6-3-7-13-18/h2-7,10-13,19H,8-9,14-15H2,1H3,(H,22,28)(H,23,25)(H,24,26)
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n/an/a>2.05E+5n/an/an/an/an/an/a



CORNELL UNIVERSITY

US Patent


Assay Description
Different concentrations of TA, TB, TH, or TM were pre-incubated with 1 μM of the sirtuin and 1 mM NAD in 20 mM Tris-HCl buffer (pH 8.0) with 1 ...


US Patent US9359293 (2016)

More data for this
Ligand-Target Pair
Sirtuin-6 (SIRT6)


(Homo sapiens (Human))
BDBM50123403
PNG
(CHEMBL3623259)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(Oc2cccnc2)cc1
Show InChI InChI=1S/C19H17N3O4S/c1-14(23)21-15-6-10-19(11-7-15)27(24,25)22-16-4-8-17(9-5-16)26-18-3-2-12-20-13-18/h2-13,22H,1H3,(H,21,23)
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n/an/a 2.42E+5n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT6 deacetylase activity using Arg-His-Lys-Lys(AC)-AMC as a substrate by luminescence assay


Eur J Med Chem 102: 530-9 (2015)

More data for this
Ligand-Target Pair
Sirtuin-6 (SIRT6)


(Homo sapiens (Human))
BDBM50123401
PNG
(CHEMBL3623257)
Show SMILES O=C1CCc2cc(ccc2N1)S(=O)(=O)Nc1ccc(Oc2cccnc2)cc1
Show InChI InChI=1S/C20H17N3O4S/c24-20-10-3-14-12-18(8-9-19(14)22-20)28(25,26)23-15-4-6-16(7-5-15)27-17-2-1-11-21-13-17/h1-2,4-9,11-13,23H,3,10H2,(H,22,24)
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n/an/a 2.70E+5n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of human SIRT6 deacetylase activity using Arg-His-Lys-Lys(AC)-AMC as a substrate by fluorescence assay


Eur J Med Chem 102: 530-9 (2015)

More data for this
Ligand-Target Pair
Sirtuin-6 (SIRT6)


(Homo sapiens (Human))
BDBM50123401
PNG
(CHEMBL3623257)
Show SMILES O=C1CCc2cc(ccc2N1)S(=O)(=O)Nc1ccc(Oc2cccnc2)cc1
Show InChI InChI=1S/C20H17N3O4S/c24-20-10-3-14-12-18(8-9-19(14)22-20)28(25,26)23-15-4-6-16(7-5-15)27-17-2-1-11-21-13-17/h1-2,4-9,11-13,23H,3,10H2,(H,22,24)
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n/an/a 2.75E+5n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT6 deacetylase activity using Arg-His-Lys-Lys(AC)-AMC as a substrate by luminescence assay


Eur J Med Chem 102: 530-9 (2015)

More data for this
Ligand-Target Pair
Sirtuin-6 (SIRT6)


(Homo sapiens (Human))
BDBM50326781
PNG
((S)-Benzyl 6-ethaneselenoamido-1-oxo-1-(phenylamin...)
Show SMILES CC(=[Se])NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C22H27N3O3Se/c1-17(29)23-15-9-8-14-20(21(26)24-19-12-6-3-7-13-19)25-22(27)28-16-18-10-4-2-5-11-18/h2-7,10-13,20H,8-9,14-16H2,1H3,(H,23,29)(H,24,26)(H,25,27)/t20-/m0/s1
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n/an/a 2.85E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant SIRT6 assessed as 7-amino-4-methylcoumarin labelled Arg-His-Lys-Lys(epsilon-acetyl) substrate deacetylation after 90 ...


Citation and Details
More data for this
Ligand-Target Pair
Sirtuin-6 (SIRT6)


(Homo sapiens (Human))
BDBM50123403
PNG
(CHEMBL3623259)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(Oc2cccnc2)cc1
Show InChI InChI=1S/C19H17N3O4S/c1-14(23)21-15-6-10-19(11-7-15)27(24,25)22-16-4-8-17(9-5-16)26-18-3-2-12-20-13-18/h2-13,22H,1H3,(H,21,23)
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n/an/a 2.97E+5n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of human SIRT6 deacetylase activity using Arg-His-Lys-Lys(AC)-AMC as a substrate by fluorescence assay


Eur J Med Chem 102: 530-9 (2015)

More data for this
Ligand-Target Pair
Sirtuin-6 (SIRT6)


(Homo sapiens (Human))
BDBM50123452
PNG
(CHEMBL3623260)
Show SMILES O=S(=O)(Nc1ccc(Oc2cccnc2)cc1)c1ccccc1
Show InChI InChI=1S/C17H14N2O3S/c20-23(21,17-6-2-1-3-7-17)19-14-8-10-15(11-9-14)22-16-5-4-12-18-13-16/h1-13,19H
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n/an/a 3.00E+5n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT6 deacetylase activity using Arg-His-Lys-Lys(AC)-AMC as a substrate by luminescence assay


Eur J Med Chem 102: 530-9 (2015)

More data for this
Ligand-Target Pair
Sirtuin-6 (SIRT6)


(Homo sapiens (Human))
BDBM228814
PNG
(PZA)
Show SMILES NC(=O)c1cnccn1
Show InChI InChI=1S/C5H5N3O/c6-5(9)4-3-7-1-2-8-4/h1-3H,(H2,6,9)
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n/an/a 4.17E+5n/an/an/an/an/an/a



University at Albany



Assay Description
Inhibitory constants (Ki) and IC50 values were determined under saturating substrate conditions by using a fluorimetric assay (components were purcha...


Chembiochem 18: 931-940 (2017)

More data for this
Ligand-Target Pair
Sirtuin-6 (SIRT6)


(Homo sapiens (Human))
BDBM50123402
PNG
(CHEMBL3623258)
Show SMILES O=C1CCCN1c1ccc(cc1)S(=O)(=O)Nc1ccc(Oc2cccnc2)cc1
Show InChI InChI=1S/C21H19N3O4S/c25-21-4-2-14-24(21)17-7-11-20(12-8-17)29(26,27)23-16-5-9-18(10-6-16)28-19-3-1-13-22-15-19/h1,3,5-13,15,23H,2,4,14H2
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n/an/a 4.41E+5n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of human SIRT6 deacetylase activity using Arg-His-Lys-Lys(AC)-AMC as a substrate by fluorescence assay


Eur J Med Chem 102: 530-9 (2015)

More data for this
Ligand-Target Pair
Sirtuin-6 (SIRT6)


(Homo sapiens (Human))
BDBM50123448
PNG
(CHEMBL3623253)
Show SMILES O=c1[nH]c2ccc(cc2c(=O)[nH]1)S(=O)(=O)NC1CCN(Cc2ccccc2)C1
Show InChI InChI=1/C19H20N4O4S/c24-18-16-10-15(6-7-17(16)20-19(25)21-18)28(26,27)22-14-8-9-23(12-14)11-13-4-2-1-3-5-13/h1-7,10,14,22H,8-9,11-12H2,(H2,20,21,24,25)
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n/an/a 5.17E+5n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT6 deacetylase activity using Arg-His-Lys-Lys(AC)-AMC as a substrate by luminescence assay


Eur J Med Chem 102: 530-9 (2015)

More data for this
Ligand-Target Pair
Sirtuin-6 (SIRT6)


(Homo sapiens (Human))
BDBM50216541
PNG
(CHEMBL613 | POA | PYRAZINOIC ACID | PZA | Rifater ...)
Show SMILES OC(=O)c1cnccn1
Show InChI InChI=1S/C5H4N2O2/c8-5(9)4-3-6-1-2-7-4/h1-3H,(H,8,9)
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n/an/a 9.27E+5n/an/an/an/an/an/a



University at Albany



Assay Description
Inhibitory constants (Ki) and IC50 values were determined under saturating substrate conditions by using a fluorimetric assay (components were purcha...


Chembiochem 18: 931-940 (2017)

More data for this
Ligand-Target Pair
Sirtuin-6 (SIRT6)


(Homo sapiens (Human))
BDBM50106871
PNG
(CHEMBL3601368)
Show SMILES CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(=S)NCCC(O)=O)NC(=O)[C@H](CCCCNC(C)=O)NC(C)=O)C(N)=O
Show InChI InChI=1/C28H50N8O8S/c1-18(37)30-14-7-4-10-21(25(29)42)35-27(44)23(12-6-9-16-32-28(45)33-17-13-24(40)41)36-26(43)22(34-20(3)39)11-5-8-15-31-19(2)38/h21-23H,4-17H2,1-3H3,(H2,29,42)(H,30,37)(H,31,38)(H,34,39)(H,35,44)(H,36,43)(H,40,41)(H2,32,33,45)/t21-,22-,23-/s2
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n/an/a 2.40E+6n/an/an/an/an/an/a



Jiangsu University

Curated by ChEMBL


Assay Description
Inhibition of human SIRT6 using H2N-EALPK-(Nepsilon-myristoyl-lysine)-TGGPQ-CONH2 as substrate after 12 mins by HPLC analysis


Bioorg Med Chem Lett 25: 3319-24 (2015)

More data for this
Ligand-Target Pair
Sirtuin-6 (SIRT6)


(Homo sapiens (Human))
BDBM50123405
PNG
(CHEMBL3623252)
Show SMILES O=c1[nH]c2ccc(cc2c(=O)[nH]1)S(=O)(=O)NCc1cccc(Cn2ccnc2)c1
Show InChI InChI=1S/C19H17N5O4S/c25-18-16-9-15(4-5-17(16)22-19(26)23-18)29(27,28)21-10-13-2-1-3-14(8-13)11-24-7-6-20-12-24/h1-9,12,21H,10-11H2,(H2,22,23,25,26)
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n/an/a 2.87E+6n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT6 deacetylase activity using Arg-His-Lys-Lys(AC)-AMC as a substrate by luminescence assay


Eur J Med Chem 102: 530-9 (2015)

More data for this
Ligand-Target Pair
Sirtuin-6 (SIRT6)


(Homo sapiens (Human))
BDBM50017343
PNG
(CHEMBL3288043)
Show SMILES O=C(NCc1nc(n[nH]1)-c1cccnc1)c1cnccn1
Show InChI InChI=1S/C13H11N7O/c21-13(10-7-15-4-5-16-10)17-8-11-18-12(20-19-11)9-2-1-3-14-6-9/h1-7H,8H2,(H,17,21)(H,18,19,20)
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n/an/a 1.34E+9n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of SIRT6 (unknown origin)


J Med Chem 57: 4796-804 (2014)

More data for this
Ligand-Target Pair