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Compile Data Set for Download or QSAR

Found 803 hits Enz. Inhib. hit(s) with Target = 'NAD-dependent deacetylase sirtuin 2'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (human))
BDBM50228363
PNG
(CHEMBL257991 | N-(2-(3-(piperazin-1-ylmethyl)imida...)
Show SMILES O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1cnc2ccccc2n1
Show InChI InChI=1S/C25H23N7OS/c33-24(22-13-27-20-7-3-4-8-21(20)28-22)29-19-6-2-1-5-18(19)23-15-32-17(16-34-25(32)30-23)14-31-11-9-26-10-12-31/h1-8,13,15-16,26H,9-12,14H2,(H,29,33)
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n/an/an/an/a 160n/an/an/an/a



Johns Hopkins UniversitySchool of Medicine

Curated by ChEMBL


Assay Description
Activation of human SirT2 protein fluorescence polarization assay


Nat Chem Biol 4: 590-7 (2008)


Article DOI: 10.1038/nchembio.111
BindingDB Entry DOI: 10.7270/Q2JD4X1V
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (human))
BDBM50428988
PNG
(CHEMBL2333666)
Show SMILES Oc1c(Br)cc(\C=N\NC(=O)c2ccc3cc(ccc3c2)-c2ccccc2)c(O)c1Br
Show InChI InChI=1S/C24H16Br2N2O3/c25-20-12-19(22(29)21(26)23(20)30)13-27-28-24(31)18-9-8-16-10-15(6-7-17(16)11-18)14-4-2-1-3-5-14/h1-13,29-30H,(H,28,31)/b27-13+
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n/an/an/an/a 1.16E+4n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of at N-terminal GST-tagged SIRT2 (34 to 356 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac...


J Med Chem 56: 761-80 (2013)


Article DOI: 10.1021/jm301032j
BindingDB Entry DOI: 10.7270/Q2XP768M
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (human))
BDBM31963
PNG
(carbohydrazide derivative, 5f)
Show SMILES Oc1c(Br)cc(C=NNC(=O)c2ccc-3c(Cc4ccccc-34)c2)c(O)c1Br
Show InChI InChI=1S/C21H14Br2N2O3/c22-17-9-14(19(26)18(23)20(17)27)10-24-25-21(28)12-5-6-16-13(8-12)7-11-3-1-2-4-15(11)16/h1-6,8-10,26-27H,7H2,(H,25,28)
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n/an/an/an/a 1.65E+4n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of at N-terminal GST-tagged SIRT2 (34 to 356 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac...


J Med Chem 56: 761-80 (2013)


Article DOI: 10.1021/jm301032j
BindingDB Entry DOI: 10.7270/Q2XP768M
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (human))
BDBM50228363
PNG
(CHEMBL257991 | N-(2-(3-(piperazin-1-ylmethyl)imida...)
Show SMILES O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1cnc2ccccc2n1
Show InChI InChI=1S/C25H23N7OS/c33-24(22-13-27-20-7-3-4-8-21(20)28-22)29-19-6-2-1-5-18(19)23-15-32-17(16-34-25(32)30-23)14-31-11-9-26-10-12-31/h1-8,13,15-16,26H,9-12,14H2,(H,29,33)
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n/an/an/an/a 3.70E+4n/an/an/an/a



Sirtris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Activation of SIRT2 by mass spectrometry assay


Nature 450: 712-716 (2007)


Article DOI: 10.1038/nature06261
BindingDB Entry DOI: 10.7270/Q2765G67
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (human))
BDBM50376978
PNG
(CHEMBL403308 | SRT-2183)
Show SMILES O[C@@H]1CCN(Cc2csc3nc(cn23)-c2ccccc2NC(=O)c2ccc3ccccc3c2)C1
Show InChI InChI=1S/C27H24N4O2S/c32-22-11-12-30(15-22)14-21-17-34-27-29-25(16-31(21)27)23-7-3-4-8-24(23)28-26(33)20-10-9-18-5-1-2-6-19(18)13-20/h1-10,13,16-17,22,32H,11-12,14-15H2,(H,28,33)/t22-/m1/s1
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n/an/an/an/a>3.00E+5n/an/an/an/a



Sirtris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Activation of SIRT2 by mass spectrometry assay


Nature 450: 712-716 (2007)


Article DOI: 10.1038/nature06261
BindingDB Entry DOI: 10.7270/Q2765G67
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (human))
BDBM50228364
PNG
(3,4,5-trimethoxy-N-(2-(3-(piperazin-1-ylmethyl)imi...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1
Show InChI InChI=1S/C26H29N5O4S/c1-33-22-12-17(13-23(34-2)24(22)35-3)25(32)28-20-7-5-4-6-19(20)21-15-31-18(16-36-26(31)29-21)14-30-10-8-27-9-11-30/h4-7,12-13,15-16,27H,8-11,14H2,1-3H3,(H,28,32)
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n/an/an/an/a>3.00E+5n/an/an/an/a



Sirtris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Activation of SIRT2 by mass spectrometry assay


Nature 450: 712-716 (2007)


Article DOI: 10.1038/nature06261
BindingDB Entry DOI: 10.7270/Q2765G67
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (human))
BDBM23926
PNG
((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...)
Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
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n/an/an/an/a>3.00E+5n/an/an/an/a



Sirtris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Activation of SIRT2 by mass spectrometry assay


Nature 450: 712-716 (2007)


Article DOI: 10.1038/nature06261
BindingDB Entry DOI: 10.7270/Q2765G67
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (human))
BDBM50168905
PNG
(CHEMBL3805692)
Show SMILES NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(cc3)N3CCOCC3)c2)c1
Show InChI InChI=1S/C24H24N4O4/c25-23(29)19-13-22(15-26-14-19)32-16-17-2-1-3-20(12-17)27-24(30)18-4-6-21(7-5-18)28-8-10-31-11-9-28/h1-7,12-15H,8-11,16H2,(H2,25,29)(H,27,30)
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73n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant N-terminal His6-tagged SIRT2 expressed in Escherichia coli BL21(DE3) cells using Ac-RHK-K(Ac)-AMC as subs...


J Med Chem 59: 2928-41 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01376
BindingDB Entry DOI: 10.7270/Q2Z89F9W
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (human))
BDBM50168493
PNG
(CHEMBL3805479)
Show SMILES NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(cc3)-c3cccs3)c2)c1
Show InChI InChI=1S/C24H19N3O3S/c25-23(28)19-12-21(14-26-13-19)30-15-16-3-1-4-20(11-16)27-24(29)18-8-6-17(7-9-18)22-5-2-10-31-22/h1-14H,15H2,(H2,25,28)(H,27,29)
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140n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant N-terminal His6-tagged SIRT2 expressed in Escherichia coli BL21(DE3) cells using Ac-RHK-K(Ac)-AMC as subs...


J Med Chem 59: 2928-41 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01376
BindingDB Entry DOI: 10.7270/Q2Z89F9W
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (human))
BDBM50168921
PNG
(CHEMBL3806257)
Show SMILES NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccncc3)c2)c1
Show InChI InChI=1S/C19H16N4O3/c20-18(24)15-9-17(11-22-10-15)26-12-13-2-1-3-16(8-13)23-19(25)14-4-6-21-7-5-14/h1-11H,12H2,(H2,20,24)(H,23,25)
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140n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant N-terminal His6-tagged SIRT2 expressed in Escherichia coli BL21(DE3) cells using Ac-RHK-K(Ac)-AMC as subs...


J Med Chem 59: 2928-41 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01376
BindingDB Entry DOI: 10.7270/Q2Z89F9W
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (human))
BDBM50168918
PNG
(CHEMBL3806063)
Show SMILES NC(=O)c1cncc(OCc2cccc(NC(=O)c3cccnc3)c2)c1
Show InChI InChI=1S/C19H16N4O3/c20-18(24)15-8-17(11-22-10-15)26-12-13-3-1-5-16(7-13)23-19(25)14-4-2-6-21-9-14/h1-11H,12H2,(H2,20,24)(H,23,25)
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260n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant N-terminal His6-tagged SIRT2 expressed in Escherichia coli BL21(DE3) cells using Ac-RHK-K(Ac)-AMC as subs...


J Med Chem 59: 2928-41 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01376
BindingDB Entry DOI: 10.7270/Q2Z89F9W
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...


Eur J Med Chem 92: 145-55 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.027
BindingDB Entry DOI: 10.7270/Q270834V
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...


Eur J Med Chem 92: 145-55 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.027
BindingDB Entry DOI: 10.7270/Q270834V
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (human))
BDBM50193046
PNG
(CHEMBL3969626)
Show SMILES OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C20H18N2O5/c23-17-7-5-12(9-18(17)24)6-8-19(25)22-16(20(26)27)10-13-11-21-15-4-2-1-3-14(13)15/h1-9,11,16,21,23-24H,10H2,(H,22,25)(H,26,27)/b8-6+
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5.30E+3n/an/an/an/an/an/an/an/a



Guru Jambheshwar University of Science and Technology

Curated by ChEMBL


Assay Description
Competitive inhibition of human SIRT2 assessed as deacetylation activity using fluorescent peptide substrate in presence of NAD+ by Lineweaver-Burk p...


Eur J Med Chem 119: 45-69 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.063
BindingDB Entry DOI: 10.7270/Q2VH5QTW
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (human))
BDBM50193046
PNG
(CHEMBL3969626)
Show SMILES OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C20H18N2O5/c23-17-7-5-12(9-18(17)24)6-8-19(25)22-16(20(26)27)10-13-11-21-15-4-2-1-3-14(13)15/h1-9,11,16,21,23-24H,10H2,(H,22,25)(H,26,27)/b8-6+
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9.80E+3n/an/an/an/an/an/an/an/a



Guru Jambheshwar University of Science and Technology

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of human SIRT2 assessed as deacetylation activity using fluorescent substrate in presence of NAD+ by Lineweaver-Burk plot a...


Eur J Med Chem 119: 45-69 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.063
BindingDB Entry DOI: 10.7270/Q2VH5QTW
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (human))
BDBM50431098
PNG
(CHEMBL2338821)
Show SMILES CC(C)(C)C(=O)NCCC1CCN(CC1)c1ncnc2ccsc12
Show InChI InChI=1S/C18H26N4OS/c1-18(2,3)17(23)19-8-4-13-5-9-22(10-6-13)16-15-14(7-11-24-15)20-12-21-16/h7,11-13H,4-6,8-10H2,1-3H3,(H,19,23)
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n/an/a>5.00E+4n/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...


J Med Chem 56: 3666-79 (2013)


Article DOI: 10.1021/jm400204k
BindingDB Entry DOI: 10.7270/Q2D50P9C
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (human))
BDBM50431099
PNG
(CHEMBL2338820)
Show SMILES CNC(=O)c1cc2ncnc(N3CCC(CCNC(=O)C(C)(C)C)CC3)c2s1
Show InChI InChI=1S/C20H29N5O2S/c1-20(2,3)19(27)22-8-5-13-6-9-25(10-7-13)17-16-14(23-12-24-17)11-15(28-16)18(26)21-4/h11-13H,5-10H2,1-4H3,(H,21,26)(H,22,27)
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n/an/a 1.00E+4n/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...


J Med Chem 56: 3666-79 (2013)


Article DOI: 10.1021/jm400204k
BindingDB Entry DOI: 10.7270/Q2D50P9C
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (human))
BDBM50431100
PNG
(CHEMBL2338819)
Show SMILES CC(C)(C)C(=O)NCCC1CCN(CC1)c1ncnc2cc(sc12)C(O)=O
Show InChI InChI=1S/C19H26N4O3S/c1-19(2,3)18(26)20-7-4-12-5-8-23(9-6-12)16-15-13(21-11-22-16)10-14(27-15)17(24)25/h10-12H,4-9H2,1-3H3,(H,20,26)(H,24,25)
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n/an/a>5.00E+4n/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...


J Med Chem 56: 3666-79 (2013)


Article DOI: 10.1021/jm400204k
BindingDB Entry DOI: 10.7270/Q2D50P9C
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...


J Med Chem 56: 3666-79 (2013)


Article DOI: 10.1021/jm400204k
BindingDB Entry DOI: 10.7270/Q2D50P9C
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (human))
BDBM50431102
PNG
(CHEMBL2338817)
Show SMILES CC(C)(C)C(=O)NCCC1CCN(CC1)c1nccc2cc(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)18-16-14(5-9-22-18)12-15(27-16)17(21)25/h5,9,12-13H,4,6-8,10-11H2,1-3H3,(H2,21,25)(H,23,26)
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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 His-tagged SIRT2 (1 to 389) (unknown origin)-mediated deacetylation of Ac-RHKKAcW-NH2 substrate incubated for 20 mins prior to substrat...


J Med Chem 56: 3666-79 (2013)


Article DOI: 10.1021/jm400204k
BindingDB Entry DOI: 10.7270/Q2D50P9C
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...


J Med Chem 56: 3666-79 (2013)


Article DOI: 10.1021/jm400204k
BindingDB Entry DOI: 10.7270/Q2D50P9C
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...


J Med Chem 56: 3666-79 (2013)


Article DOI: 10.1021/jm400204k
BindingDB Entry DOI: 10.7270/Q2D50P9C
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...


J Med Chem 56: 3666-79 (2013)


Article DOI: 10.1021/jm400204k
BindingDB Entry DOI: 10.7270/Q2D50P9C
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...


J Med Chem 56: 3666-79 (2013)


Article DOI: 10.1021/jm400204k
BindingDB Entry DOI: 10.7270/Q2D50P9C
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...


J Med Chem 56: 3666-79 (2013)


Article DOI: 10.1021/jm400204k
BindingDB Entry DOI: 10.7270/Q2D50P9C
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...


J Med Chem 56: 3666-79 (2013)


Article DOI: 10.1021/jm400204k
BindingDB Entry DOI: 10.7270/Q2D50P9C
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...


J Med Chem 56: 3666-79 (2013)


Article DOI: 10.1021/jm400204k
BindingDB Entry DOI: 10.7270/Q2D50P9C
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...


J Med Chem 56: 3666-79 (2013)


Article DOI: 10.1021/jm400204k
BindingDB Entry DOI: 10.7270/Q2D50P9C
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...


J Med Chem 56: 3666-79 (2013)


Article DOI: 10.1021/jm400204k
BindingDB Entry DOI: 10.7270/Q2D50P9C
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...


J Med Chem 56: 3666-79 (2013)


Article DOI: 10.1021/jm400204k
BindingDB Entry DOI: 10.7270/Q2D50P9C
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (human))
BDBM50431105
PNG
(CHEMBL2332054)
Show SMILES CC(C)(C)C(=O)NCC1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
Show InChI InChI=1S/C18H25N5O2S/c1-18(2,3)17(25)20-9-11-4-6-23(7-5-11)16-14-12(21-10-22-16)8-13(26-14)15(19)24/h8,10-11H,4-7,9H2,1-3H3,(H2,19,24)(H,20,25)
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n/an/a 740n/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...


J Med Chem 56: 3666-79 (2013)


Article DOI: 10.1021/jm400204k
BindingDB Entry DOI: 10.7270/Q2D50P9C
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...


J Med Chem 56: 3666-79 (2013)


Article DOI: 10.1021/jm400204k
BindingDB Entry DOI: 10.7270/Q2D50P9C
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...


J Med Chem 56: 3666-79 (2013)


Article DOI: 10.1021/jm400204k
BindingDB Entry DOI: 10.7270/Q2D50P9C
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...


J Med Chem 56: 3666-79 (2013)


Article DOI: 10.1021/jm400204k
BindingDB Entry DOI: 10.7270/Q2D50P9C
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (human))
BDBM50431109
PNG
(CHEMBL2332050)
Show SMILES CC(=O)NCC1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
Show InChI InChI=1S/C15H19N5O2S/c1-9(21)17-7-10-2-4-20(5-3-10)15-13-11(18-8-19-15)6-12(23-13)14(16)22/h6,8,10H,2-5,7H2,1H3,(H2,16,22)(H,17,21)
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n/an/a 2.80E+3n/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...


J Med Chem 56: 3666-79 (2013)


Article DOI: 10.1021/jm400204k
BindingDB Entry DOI: 10.7270/Q2D50P9C
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (human))
BDBM50431110
PNG
(CHEMBL2332049)
Show SMILES NC(=O)c1cc2ncnc(Cl)c2s1
Show InChI InChI=1S/C7H4ClN3OS/c8-6-5-3(10-2-11-6)1-4(13-5)7(9)12/h1-2H,(H2,9,12)
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n/an/a>5.00E+4n/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...


J Med Chem 56: 3666-79 (2013)


Article DOI: 10.1021/jm400204k
BindingDB Entry DOI: 10.7270/Q2D50P9C
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (human))
BDBM50431111
PNG
(CHEMBL2332048)
Show SMILES CCNc1ncnc2cc(sc12)C(N)=O
Show InChI InChI=1S/C9H10N4OS/c1-2-11-9-7-5(12-4-13-9)3-6(15-7)8(10)14/h3-4H,2H2,1H3,(H2,10,14)(H,11,12,13)
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n/an/a 4.90E+4n/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...


J Med Chem 56: 3666-79 (2013)


Article DOI: 10.1021/jm400204k
BindingDB Entry DOI: 10.7270/Q2D50P9C
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (human))
BDBM50431112
PNG
(CHEMBL2332047)
Show SMILES NC(=O)c1cc2ncnc(N3CCCCC3)c2s1
Show InChI InChI=1S/C12H14N4OS/c13-11(17)9-6-8-10(18-9)12(15-7-14-8)16-4-2-1-3-5-16/h6-7H,1-5H2,(H2,13,17)
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n/an/a 1.40E+3n/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...


J Med Chem 56: 3666-79 (2013)


Article DOI: 10.1021/jm400204k
BindingDB Entry DOI: 10.7270/Q2D50P9C
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...


J Med Chem 56: 3666-79 (2013)


Article DOI: 10.1021/jm400204k
BindingDB Entry DOI: 10.7270/Q2D50P9C
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...


J Med Chem 56: 3666-79 (2013)


Article DOI: 10.1021/jm400204k
BindingDB Entry DOI: 10.7270/Q2D50P9C
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...


J Med Chem 56: 3666-79 (2013)


Article DOI: 10.1021/jm400204k
BindingDB Entry DOI: 10.7270/Q2D50P9C
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...


J Med Chem 56: 3666-79 (2013)


Article DOI: 10.1021/jm400204k
BindingDB Entry DOI: 10.7270/Q2D50P9C
More data for this
Ligand-Target Pair
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...


J Med Chem 56: 3666-79 (2013)


Article DOI: 10.1021/jm400204k
BindingDB Entry DOI: 10.7270/Q2D50P9C
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...


J Med Chem 56: 3666-79 (2013)


Article DOI: 10.1021/jm400204k
BindingDB Entry DOI: 10.7270/Q2D50P9C
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...


J Med Chem 56: 3666-79 (2013)


Article DOI: 10.1021/jm400204k
BindingDB Entry DOI: 10.7270/Q2D50P9C
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...


J Med Chem 56: 3666-79 (2013)


Article DOI: 10.1021/jm400204k
BindingDB Entry DOI: 10.7270/Q2D50P9C
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...


J Med Chem 56: 3666-79 (2013)


Article DOI: 10.1021/jm400204k
BindingDB Entry DOI: 10.7270/Q2D50P9C
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...


J Med Chem 56: 3666-79 (2013)


Article DOI: 10.1021/jm400204k
BindingDB Entry DOI: 10.7270/Q2D50P9C
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (human))
BDBM29040
PNG
(cambinol)
Show SMILES Oc1ccc2ccccc2c1Cc1c([nH]c(=S)[nH]c1=O)-c1ccccc1
Show InChI InChI=1S/C21H16N2O2S/c24-18-11-10-13-6-4-5-9-15(13)16(18)12-17-19(14-7-2-1-3-8-14)22-21(26)23-20(17)25/h1-11,24H,12H2,(H2,22,23,25,26)
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n/an/a 5.90E+4n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged SIRT2 assessed as inhibition of deacetylation of [3H]acetyl-H4 peptide after 3 hrs by liquid scintillation counting an...


J Med Chem 56: 3666-79 (2013)


Article DOI: 10.1021/jm400204k
BindingDB Entry DOI: 10.7270/Q2D50P9C
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(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 1.20E+3n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged SIRT2 expressed in Escherichia coli BL21(DE3) assessed as inhibition of ZMAL conversion to ZML after 4 hrs by fluores...


J Med Chem 56: 3666-79 (2013)


Article DOI: 10.1021/jm400204k
BindingDB Entry DOI: 10.7270/Q2D50P9C
More data for this
Ligand-Target Pair
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