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Compile Data Set for Download or QSAR

Found 53 hits Enz. Inhib. hit(s) with all data for entry = 50047842   
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))
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 1


(Homo sapiens (human))
BDBM50193080
PNG
(CHEMBL3951539)
Show SMILES [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].Nc1cc(NC(=O)Nc2cccc(c2)C(=O)Nc2cccc(c2)C(=O)Nc2ccc(c3cc(cc(c23)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)cc(c1)C(=O)Nc1cccc(c1)C(=O)Nc1ccc(c2cc(cc(c12)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O
Show InChI InChI=1S/C49H37N7O23S6.6Na/c50-28-14-27(48(60)52-30-8-2-6-26(16-30)47(59)56-38-11-13-40(83(71,72)73)36-21-34(81(65,66)67)23-42(44(36)38)85(77,78)79)18-32(19-28)54-49(61)53-31-9-3-4-24(17-31)45(57)51-29-7-1-5-25(15-29)46(58)55-37-10-12-39(82(68,69)70)35-20-33(80(62,63)64)22-41(43(35)37)84(74,75)76;;;;;;/h1-23H,50H2,(H,51,57)(H,52,60)(H,55,58)(H,56,59)(H2,53,54,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)(H,77,78,79);;;;;;/q;6*+1/p-6
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n/an/a 93n/an/an/an/an/an/a



Guru Jambheshwar University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of full-length human N-terminal GST-tagged SIRT1 expressed in Escherichia coli BL21 (DE3) assessed as inhibition of deacetylase activity u...


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 1


(Homo sapiens (human))
BDBM50438910
PNG
(CHEMBL1450796 | US9073941, 618)
Show SMILES Cc1ccc(cc1)-c1nn(C)c2nc(=O)n(C)c(=O)c2n1
Show InChI InChI=1S/C14H13N5O2/c1-8-4-6-9(7-5-8)11-15-10-12(19(3)17-11)16-14(21)18(2)13(10)20/h4-7H,1-3H3
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n/an/a 110n/an/an/an/an/an/a



Guru Jambheshwar University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human SIRT1 using biotinylated peptide with an acetylated FLAG sequence as substrate measured after 3 hr in presence of NAD+ by TR-FRET...


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 1


(Homo sapiens (human))
BDBM50193045
PNG
(CHEMBL3986181)
Show SMILES CCCCc1nn(C)c2nc(=O)n(C)c(=O)c2n1
Show InChI InChI=1S/C11H15N5O2/c1-4-5-6-7-12-8-9(16(3)14-7)13-11(18)15(2)10(8)17/h4-6H2,1-3H3
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n/an/a 110n/an/an/an/an/an/a



Guru Jambheshwar University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human SIRT1 using biotinylated peptide with an acetylated FLAG sequence as substrate measured after 3 hr in presence of NAD+ by TR-FRET...


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 1


(Homo sapiens (human))
BDBM50193074
PNG
(CHEMBL3933232)
Show SMILES CN(C)\C=N\C(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21
Show InChI InChI=1S/C16H18ClN3O/c1-20(2)9-18-16(21)12-5-3-4-11-13-8-10(17)6-7-14(13)19-15(11)12/h6-9,12,19H,3-5H2,1-2H3/b18-9+
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n/an/a 149n/an/an/an/an/an/a



Guru Jambheshwar University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant SIRT1 (unknown origin) assessed as deacetylation activity using acetylated p53 as substrate measured after 2 hrs by Fluor d...


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 1


(Homo sapiens (human))
BDBM50193073
PNG
(CHEMBL2397737)
Show SMILES [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].CC1=CCC(=C\C1=N\C(=O)C1=CC=C\C(C1)=N/C(=O)/N=C1/CC(=CC=C1)C(=O)\N=C1\CC(=CC=C1C)C(=O)\N=C1/CC=C(c2cc(cc(c12)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)C(=O)\N=C1/CC=C(c2cc(cc(c12)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O
Show InChI InChI=1S/C51H40N6O23S6.6Na/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;;;;;;/h3-11,15-16,20-24H,12-14,17-19H2,1-2H3,(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80);;;;;;/q;6*+1/p-6/b52-31+,53-32+,54-37+,55-38+,56-39-,57-40-;;;;;;
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n/an/a 297n/an/an/an/an/an/a



Guru Jambheshwar University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of full-length human N-terminal GST-tagged SIRT1 expressed in Escherichia coli BL21 (DE3) assessed as inhibition of deacetylase activity u...


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 1


(Homo sapiens (human))
BDBM32102
PNG
(1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,...)
Show SMILES Cn1ncnc2c1nc(=O)n(C)c2=O
Show InChI InChI=1S/C7H7N5O2/c1-11-6(13)4-5(10-7(11)14)12(2)9-3-8-4/h3H,1-2H3
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n/an/a 870n/an/an/an/an/an/a



Guru Jambheshwar University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human SIRT1 using biotinylated peptide with an acetylated FLAG sequence as substrate measured after 3 hr in presence of NAD+ by TR-FRET...


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 1


(Homo sapiens (human))
BDBM50193076
PNG
(CHEMBL3900138)
Show SMILES Fc1cccc(c1)-n1cc(CSC(=S)N2CCN(CC2)C(=S)SCc2cn(nn2)-c2ccccc2F)nn1
Show InChI InChI=1S/C24H22F2N8S4/c25-17-4-3-5-20(12-17)33-13-18(27-29-33)15-37-23(35)31-8-10-32(11-9-31)24(36)38-16-19-14-34(30-28-19)22-7-2-1-6-21(22)26/h1-7,12-14H,8-11,15-16H2
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n/an/a 1.08E+3n/an/an/an/an/an/a



Guru Jambheshwar University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human SIRT1 (193 to 747 residues) expressed in Escherichia coli BL21 (DE3) using AMC-labeled p53-derived acetylated lysine ...


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))
BDBM50193073
PNG
(CHEMBL2397737)
Show SMILES [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].CC1=CCC(=C\C1=N\C(=O)C1=CC=C\C(C1)=N/C(=O)/N=C1/CC(=CC=C1)C(=O)\N=C1\CC(=CC=C1C)C(=O)\N=C1/CC=C(c2cc(cc(c12)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)C(=O)\N=C1/CC=C(c2cc(cc(c12)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O
Show InChI InChI=1S/C51H40N6O23S6.6Na/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;;;;;;/h3-11,15-16,20-24H,12-14,17-19H2,1-2H3,(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80);;;;;;/q;6*+1/p-6/b52-31+,53-32+,54-37+,55-38+,56-39-,57-40-;;;;;;
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n/an/a 1.15E+3n/an/an/an/an/an/a



Guru Jambheshwar University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of full-length human N-terminal His6-tagged SIRT2 expressed in Escherichia coli BL21 (DE3) assessed as inhibition of deacetylase activity ...


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 1


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



Guru Jambheshwar University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant SIRT1 (unknown origin) assessed as deacetylation activity using acetylated p53 as substrate measured after 2 hrs by Fluor d...


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))
BDBM50193080
PNG
(CHEMBL3951539)
Show SMILES [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].Nc1cc(NC(=O)Nc2cccc(c2)C(=O)Nc2cccc(c2)C(=O)Nc2ccc(c3cc(cc(c23)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)cc(c1)C(=O)Nc1cccc(c1)C(=O)Nc1ccc(c2cc(cc(c12)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O
Show InChI InChI=1S/C49H37N7O23S6.6Na/c50-28-14-27(48(60)52-30-8-2-6-26(16-30)47(59)56-38-11-13-40(83(71,72)73)36-21-34(81(65,66)67)23-42(44(36)38)85(77,78)79)18-32(19-28)54-49(61)53-31-9-3-4-24(17-31)45(57)51-29-7-1-5-25(15-29)46(58)55-37-10-12-39(82(68,69)70)35-20-33(80(62,63)64)22-41(43(35)37)84(74,75)76;;;;;;/h1-23H,50H2,(H,51,57)(H,52,60)(H,55,58)(H,56,59)(H2,53,54,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)(H,77,78,79);;;;;;/q;6*+1/p-6
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n/an/a 2.26E+3n/an/an/an/an/an/a



Guru Jambheshwar University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of full-length human N-terminal His6-tagged SIRT2 expressed in Escherichia coli BL21 (DE3) assessed as inhibition of deacetylase activity ...


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 1


(Homo sapiens (human))
BDBM50215507
PNG
(6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-1-carbox...)
Show SMILES COc1ccc2[nH]c3C(CCCc3c2c1)C(O)=O
Show InChI InChI=1S/C14H15NO3/c1-18-8-5-6-12-11(7-8)9-3-2-4-10(14(16)17)13(9)15-12/h5-7,10,15H,2-4H2,1H3,(H,16,17)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Guru Jambheshwar University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant SIRT1 (unknown origin) assessed as deacetylation activity using acetylated p53 as substrate measured after 2 hrs by Fluor d...


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 1


(Homo sapiens (human))
BDBM50193075
PNG
(CHEMBL3902988)
Show SMILES Cc1ccc2[nH]c3C(CCCc3c2c1)C(O)=O
Show InChI InChI=1S/C14H15NO2/c1-8-5-6-12-11(7-8)9-3-2-4-10(14(16)17)13(9)15-12/h5-7,10,15H,2-4H2,1H3,(H,16,17)
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n/an/a 3.10E+3n/an/an/an/an/an/a



Guru Jambheshwar University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant SIRT1 (unknown origin) assessed as deacetylation activity using acetylated p53 as substrate measured after 2 hrs by Fluor d...


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 1


(Homo sapiens (human))
BDBM50193081
PNG
(CHEMBL271761)
Show SMILES Brc1ccc2c3CC(C(=O)Oc3ccc2c1)c1ccccc1
Show InChI InChI=1S/C19H13BrO2/c20-14-7-8-15-13(10-14)6-9-18-17(15)11-16(19(21)22-18)12-4-2-1-3-5-12/h1-10,16H,11H2
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n/an/a 5.00E+3n/an/an/an/an/an/a



Guru Jambheshwar University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human FLAG-tagged SIRT1 expressed in HEK293 cells using [3H]-H3 peptide as substrate


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 1


(Homo sapiens (human))
BDBM50193043
PNG
(CHEMBL3920465)
Show SMILES O=C1CC(=S)NC(=O)\C1=C\c1cc2ccccc2[nH]1
Show InChI InChI=1S/C14H10N2O2S/c17-12-7-13(19)16-14(18)10(12)6-9-5-8-3-1-2-4-11(8)15-9/h1-6,15H,7H2,(H,16,18,19)/b10-6+
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n/an/a 5.90E+3n/an/an/an/an/an/a



Guru Jambheshwar University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human SIRT1 assessed as inhibition of deacetylase activity using ZMAL as substrate measured after 4 hrs by Fluor de Lys ass...


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 1


(Homo sapiens (human))
BDBM50193078
PNG
(CHEMBL3956664)
Show SMILES CC(C)C(=O)[C@@]12C(=O)C(CC=C(C)C)=C(OCC(O)=O)[C@@](CC=C(C)C)(C[C@H](CC=C(C)C)[C@@]1(C)CCC=C(C)C)C2=O
Show InChI InChI=1S/C37H54O6/c1-23(2)13-12-19-35(11)28(16-14-24(3)4)21-36(20-18-26(7)8)33(43-22-30(38)39)29(17-15-25(5)6)32(41)37(35,34(36)42)31(40)27(9)10/h13-15,18,27-28H,12,16-17,19-22H2,1-11H3,(H,38,39)/t28-,35+,36+,37-/m0/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



Guru Jambheshwar University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged SIRT1 overexpressed in Escherichia coli DH5alpha assessed as deacetylation activity using [3H]-MPSDKTIGG 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))
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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n/an/a 8.70E+3n/an/an/an/an/an/a



Guru Jambheshwar University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human SIRT2 assessed as deacetylation activity using fluorescent substrate in presence of NAD+ by fluorescence analysis


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))
BDBM50346551
PNG
(CHEMBL1795371)
Show SMILES O=C1NC(=S)NC(=O)C1=Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C17H12N2O2S/c20-15-14(16(21)19-17(22)18-15)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-10H,(H2,18,19,20,21,22)
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n/an/a 8.70E+3n/an/an/an/an/an/a



Guru Jambheshwar University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal 6His-tagged SIRT2 assessed as inhibition of deacetylase activity using ZMAL as substrate measured after 4 hrs by Fluor...


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 1


(Homo sapiens (human))
BDBM50190132
PNG
(CHEMBL3828225)
Show SMILES CC(C)=CCC\C(C)=C\C[C@@H]1C[C@@]2(CC=C(C)C)C(O)=C(Cc3ccc(O)c(O)c3)C(=O)[C@](CC=C(C)C)(C2=O)[C@@]1(C)CCC=C(C)C
Show InChI InChI=1S/C43H60O5/c1-28(2)13-11-15-32(9)16-18-34-27-42(23-20-30(5)6)38(46)35(25-33-17-19-36(44)37(45)26-33)39(47)43(40(42)48,24-21-31(7)8)41(34,10)22-12-14-29(3)4/h13-14,16-17,19-21,26,34,44-46H,11-12,15,18,22-25,27H2,1-10H3/b32-16+/t34-,41+,42+,43-/m1/s1
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n/an/a 9.00E+3n/an/an/an/an/an/a



Guru Jambheshwar University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged SIRT1 overexpressed in Escherichia coli DH5alpha assessed as deacetylation activity using [3H]-MPSDKTIGG 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))
BDBM99917
PNG
(4-tert-butyl-N-(4-(5-(dimethylamino)pentanamido)ph...)
Show SMILES CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(cc2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H34N4O2S/c1-25(2,3)19-11-9-18(10-12-19)23(31)28-24(32)27-21-15-13-20(14-16-21)26-22(30)8-6-7-17-29(4)5/h9-16H,6-8,17H2,1-5H3,(H,26,30)(H2,27,28,31,32)/p+1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Guru Jambheshwar University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human SIRT2 assessed as deacetylation activity using acetylated lysine as substrate measured after 1 hr in presence of NAD+ by by Fluor...


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))
BDBM32102
PNG
(1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,...)
Show SMILES Cn1ncnc2c1nc(=O)n(C)c2=O
Show InChI InChI=1S/C7H7N5O2/c1-11-6(13)4-5(10-7(11)14)12(2)9-3-8-4/h3H,1-2H3
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PubMed
n/an/a 1.44E+4n/an/an/an/an/an/a



Guru Jambheshwar University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human SIRT2 using biotin labeled histone H4 peptide with an acetylated lysine 4 as substrate measured after 1 hr by luminescence analys...


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 1


(Homo sapiens (human))
BDBM50193079
PNG
(CHEBI:5834 | CHEMBL1237210)
Show SMILES CC(C)C(=O)[C@@]12C(O)=C(CC=C(C)C)C(=O)[C@@](CC=C(C)C)(C[C@H](CC=C(C)C)[C@@]1(C)CCC=C(C)C)C2=O
Show InChI InChI=1S/C35H52O4/c1-22(2)13-12-19-33(11)27(16-14-23(3)4)21-34(20-18-25(7)8)30(37)28(17-15-24(5)6)31(38)35(33,32(34)39)29(36)26(9)10/h13-15,18,26-27,38H,12,16-17,19-21H2,1-11H3/t27-,33+,34+,35-/m0/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



Guru Jambheshwar University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged SIRT1 overexpressed in Escherichia coli DH5alpha assessed as deacetylation activity using [3H]-MPSDKTIGG 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 1


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



Guru Jambheshwar University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant SIRT1 (unknown origin) assessed as deacetylation activity using acetylated p53 as substrate measured after 2 hrs by Fluor d...


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 1


(Homo sapiens (human))
BDBM50193056
PNG
(CHEMBL3980009)
Show SMILES NC1=C(C#N)C(=C2C=CC(=O)C=C2)C(C#N)=C(N1)SCC(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C21H14N4O4S/c22-8-14-19(11-1-4-13(26)5-2-11)15(9-23)21(25-20(14)24)30-10-18(29)12-3-6-16(27)17(28)7-12/h1-7,25,27-28H,10,24H2
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n/an/a 1.64E+4n/an/an/an/an/an/a



Guru Jambheshwar University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human SIRT1 assessed as deacetylation activity preincubated with protein followed by addition of AMC-tagged Arg-His-Lys-Lys(Ac) (379 to...


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 1


(Homo sapiens (human))
BDBM50297159
PNG
(2-(phenylamino)benzamide | CHEMBL561194)
Show SMILES NC(=O)c1ccccc1Nc1ccccc1
Show InChI InChI=1S/C13H12N2O/c14-13(16)11-8-4-5-9-12(11)15-10-6-2-1-3-7-10/h1-9,15H,(H2,14,16)
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n/an/a 1.70E+4n/an/an/an/an/an/a



Guru Jambheshwar University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of SIRT1 (unknown origin) using acetylated lysine as substrate by Fluor de Lys assay


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))
BDBM50193043
PNG
(CHEMBL3920465)
Show SMILES O=C1CC(=S)NC(=O)\C1=C\c1cc2ccccc2[nH]1
Show InChI InChI=1S/C14H10N2O2S/c17-12-7-13(19)16-14(18)10(12)6-9-5-8-3-1-2-4-11(8)15-9/h1-6,15H,7H2,(H,16,18,19)/b10-6+
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n/an/a<2.03E+4n/an/an/an/an/an/a



Guru Jambheshwar University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal 6His-tagged SIRT2 assessed as inhibition of deacetylase activity using ZMAL as substrate measured after 4 hrs by Fluor...


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 1


(Homo sapiens (human))
BDBM99917
PNG
(4-tert-butyl-N-(4-(5-(dimethylamino)pentanamido)ph...)
Show SMILES CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(cc2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H34N4O2S/c1-25(2,3)19-11-9-18(10-12-19)23(31)28-24(32)27-21-15-13-20(14-16-21)26-22(30)8-6-7-17-29(4)5/h9-16H,6-8,17H2,1-5H3,(H,26,30)(H2,27,28,31,32)/p+1
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PubMed
n/an/a 2.10E+4n/an/an/an/an/an/a



Guru Jambheshwar University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human SIRT1 assessed as deacetylation activity using acetylated lysine as substrate measured after 1 hr in presence of NAD+ by by Fluor...


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))
BDBM50193078
PNG
(CHEMBL3956664)
Show SMILES CC(C)C(=O)[C@@]12C(=O)C(CC=C(C)C)=C(OCC(O)=O)[C@@](CC=C(C)C)(C[C@H](CC=C(C)C)[C@@]1(C)CCC=C(C)C)C2=O
Show InChI InChI=1S/C37H54O6/c1-23(2)13-12-19-35(11)28(16-14-24(3)4)21-36(20-18-26(7)8)33(43-22-30(38)39)29(17-15-25(5)6)32(41)37(35,34(36)42)31(40)27(9)10/h13-15,18,27-28H,12,16-17,19-22H2,1-11H3,(H,38,39)/t28-,35+,36+,37-/m0/s1
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n/an/a 2.10E+4n/an/an/an/an/an/a



Guru Jambheshwar University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged SIRT2 overexpressed in Escherichia coli DH5alpha assessed as deacetylation activity using [3H]-MPSDKTIGG 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))
BDBM50190132
PNG
(CHEMBL3828225)
Show SMILES CC(C)=CCC\C(C)=C\C[C@@H]1C[C@@]2(CC=C(C)C)C(O)=C(Cc3ccc(O)c(O)c3)C(=O)[C@](CC=C(C)C)(C2=O)[C@@]1(C)CCC=C(C)C
Show InChI InChI=1S/C43H60O5/c1-28(2)13-11-15-32(9)16-18-34-27-42(23-20-30(5)6)38(46)35(25-33-17-19-36(44)37(45)26-33)39(47)43(40(42)48,24-21-31(7)8)41(34,10)22-12-14-29(3)4/h13-14,16-17,19-21,26,34,44-46H,11-12,15,18,22-25,27H2,1-10H3/b32-16+/t34-,41+,42+,43-/m1/s1
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n/an/a 2.20E+4n/an/an/an/an/an/a



Guru Jambheshwar University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged SIRT2 overexpressed in Escherichia coli DH5alpha assessed as deacetylation activity using [3H]-MPSDKTIGG 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))
BDBM50193079
PNG
(CHEBI:5834 | CHEMBL1237210)
Show SMILES CC(C)C(=O)[C@@]12C(O)=C(CC=C(C)C)C(=O)[C@@](CC=C(C)C)(C[C@H](CC=C(C)C)[C@@]1(C)CCC=C(C)C)C2=O
Show InChI InChI=1S/C35H52O4/c1-22(2)13-12-19-33(11)27(16-14-23(3)4)21-34(20-18-25(7)8)30(37)28(17-15-24(5)6)31(38)35(33,32(34)39)29(36)26(9)10/h13-15,18,26-27,38H,12,16-17,19-21H2,1-11H3/t27-,33+,34+,35-/m0/s1
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n/an/a 2.80E+4n/an/an/an/an/an/a



Guru Jambheshwar University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged SIRT2 overexpressed in Escherichia coli DH5alpha assessed as deacetylation activity using [3H]-MPSDKTIGG 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 1


(Homo sapiens (human))
BDBM50193044
PNG
(CHEMBL3942319)
Show SMILES Oc1ccccc1-c1nc2ccc(Cl)cn2c1NCc1ccc2OCOc2c1
Show InChI InChI=1S/C21H16ClN3O3/c22-14-6-8-19-24-20(15-3-1-2-4-16(15)26)21(25(19)11-14)23-10-13-5-7-17-18(9-13)28-12-27-17/h1-9,11,23,26H,10,12H2
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n/an/a 3.20E+4n/an/an/an/an/an/a



Guru Jambheshwar University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human SIRT1 assessed as deacetylation activity preincubated with protein followed by addition of AMC-tagged Arg-His-Lys-Lys(Ac) (379 to...


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 1


(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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n/an/a 3.40E+4n/an/an/an/an/an/a



Guru Jambheshwar University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human SIRT1 assessed as deacetylation activity using fluorescent substrate in presence of NAD+ by fluorescence analysis


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))
BDBM50156760
PNG
((E)-2-((2-hydroxynaphthalen-1-yl)methyleneamino)-N...)
Show SMILES CC(NC(=O)c1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C26H22N2O2/c1-18(19-9-3-2-4-10-19)28-26(30)22-13-7-8-14-24(22)27-17-23-21-12-6-5-11-20(21)15-16-25(23)29/h2-18,29H,1H3,(H,28,30)/b27-17+
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n/an/a 3.80E+4n/an/an/an/an/an/a



Guru Jambheshwar University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged SIRT1 (18 to 340 residues) expressed in Escherichia coli BL21 (DE3)LysS using acetylated HeLa histones as substrate me...


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 1


(Homo sapiens (human))
BDBM50396052
PNG
(CHEMBL2170195)
Show SMILES O=C1N(CCNCCCNCCCNCCN2C(=O)c3cccc4cccc(C2=O)c34)C(=O)c2cccc3cccc1c23
Show InChI InChI=1S/C34H35N5O4/c40-31-25-11-1-7-23-8-2-12-26(29(23)25)32(41)38(31)21-19-36-17-5-15-35-16-6-18-37-20-22-39-33(42)27-13-3-9-24-10-4-14-28(30(24)27)34(39)43/h1-4,7-14,35-37H,5-6,15-22H2
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n/an/a 4.30E+4n/an/an/an/an/an/a



Guru Jambheshwar University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human SIRT1 assessed as NAD+-dependent deacetylase activity using acetylated tubuline as substrate measured after overnight incubation ...


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 1


(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<5.00E+4n/an/an/an/an/an/a



Guru Jambheshwar University of Science and Technology

Curated by ChEMBL


Assay Description
Non-competitive inhibition of recombinant human SIRT1 using acetylated histone as substrate measured after 30 mins by fluorimetric analysis


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 histone deacetylase SIR2


(Saccharomyces cerevisiae)
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<5.00E+4n/an/an/an/an/an/a



Guru Jambheshwar University of Science and Technology

Curated by ChEMBL


Assay Description
Non-competitive inhibition of recombinant yeast glutathione-S-transferase-tagged SIRT2 using acetylated histone as substrate measured after 30 mins b...


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
3D
3D Structure (crystal)
NAD-dependent deacetylase sirtuin 1


(Homo sapiens (human))
BDBM50346551
PNG
(CHEMBL1795371)
Show SMILES O=C1NC(=S)NC(=O)C1=Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C17H12N2O2S/c20-15-14(16(21)19-17(22)18-15)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-10H,(H2,18,19,20,21,22)
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n/an/a 5.10E+4n/an/an/an/an/an/a



Guru Jambheshwar University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human SIRT1 assessed as inhibition of deacetylase activity using ZMAL as substrate measured after 4 hrs by Fluor de Lys ass...


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 1


(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 5.60E+4n/an/an/an/an/an/a



Guru Jambheshwar University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human SIRT1 expressed in bacterial expression system assessed as reduction in conversion of [3H]acetyl-H4 to [3H]acetic acid measured 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))
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



Guru Jambheshwar University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged SIRT2 expressed in bacterial expression system assessed as deacetylation activity using [3H]acetyl-H4 peptide as subst...


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 histone deacetylase SIR2


(Saccharomyces cerevisiae)
BDBM50156760
PNG
((E)-2-((2-hydroxynaphthalen-1-yl)methyleneamino)-N...)
Show SMILES CC(NC(=O)c1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C26H22N2O2/c1-18(19-9-3-2-4-10-19)28-26(30)22-13-7-8-14-24(22)27-17-23-21-12-6-5-11-20(21)15-16-25(23)29/h2-18,29H,1H3,(H,28,30)/b27-17+
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n/an/a 6.80E+4n/an/an/an/an/an/a



Guru Jambheshwar University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant yeast Sir2p using acetylated HeLa histones as substrate measured after 2 hrs in presence of NAD by scintillation counting m...


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 1


(Homo sapiens (human))
BDBM50337278
PNG
(2-(phenylamino)benzoic acid | 2-Phenylamino-benzoi...)
Show SMILES OC(=O)c1ccccc1Nc1ccccc1
Show InChI InChI=1S/C13H11NO2/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H,(H,15,16)
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n/an/a 6.80E+4n/an/an/an/an/an/a



Guru Jambheshwar University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of SIRT1 (unknown origin) using acetylated lysine as substrate by Fluor de Lys assay


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))
BDBM50297159
PNG
(2-(phenylamino)benzamide | CHEMBL561194)
Show SMILES NC(=O)c1ccccc1Nc1ccccc1
Show InChI InChI=1S/C13H12N2O/c14-13(16)11-8-4-5-9-12(11)15-10-6-2-1-3-7-10/h1-9,15H,(H2,14,16)
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n/an/a 7.40E+4n/an/an/an/an/an/a



Guru Jambheshwar University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of SIRT2 (unknown origin) using acetylated lysine as substrate by Fluor de Lys assay


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 1


(Homo sapiens (human))
BDBM50392085
PNG
(CHEMBL2152587)
Show SMILES CN(c1ccccc1)c1ccccc1C(N)=O
Show InChI InChI=1S/C14H14N2O/c1-16(11-7-3-2-4-8-11)13-10-6-5-9-12(13)14(15)17/h2-10H,1H3,(H2,15,17)
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n/an/a 7.50E+4n/an/an/an/an/an/a



Guru Jambheshwar University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of SIRT1 (unknown origin) using acetylated lysine as substrate by Fluor de Lys assay


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 1


(Homo sapiens (human))
BDBM50309827
PNG
(CHEMBL597845 | Salermide)
Show SMILES CC(C(=O)Nc1cccc(c1)\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C26H22N2O2/c1-18(19-8-3-2-4-9-19)26(30)28-22-12-7-11-21(16-22)27-17-24-23-13-6-5-10-20(23)14-15-25(24)29/h2-18,29H,1H3,(H,28,30)/b27-17+
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n/an/a 7.62E+4n/an/an/an/an/an/a



Guru Jambheshwar University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged SIRT1 assessed as inhibition of deacetylase activity measured after 60 mins by Fluor de Lys assay


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 1


(Homo sapiens (human))
BDBM50392084
PNG
(CHEMBL2152586 | US9284299, PNU-74654)
Show SMILES NC(=O)c1ccccc1Oc1ccccc1
Show InChI InChI=1S/C13H11NO2/c14-13(15)11-8-4-5-9-12(11)16-10-6-2-1-3-7-10/h1-9H,(H2,14,15)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Guru Jambheshwar University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of SIRT1 (unknown origin) using acetylated lysine as substrate by Fluor de Lys assay


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))
BDBM50438910
PNG
(CHEMBL1450796 | US9073941, 618)
Show SMILES Cc1ccc(cc1)-c1nn(C)c2nc(=O)n(C)c(=O)c2n1
Show InChI InChI=1S/C14H13N5O2/c1-8-4-6-9(7-5-8)11-15-10-12(19(3)17-11)16-14(21)18(2)13(10)20/h4-7H,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Guru Jambheshwar University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human SIRT2 using biotin labeled histone H4 peptide with an acetylated lysine 4 as substrate measured after 1 hr by luminescence analys...


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))
BDBM50193045
PNG
(CHEMBL3986181)
Show SMILES CCCCc1nn(C)c2nc(=O)n(C)c(=O)c2n1
Show InChI InChI=1S/C11H15N5O2/c1-4-5-6-7-12-8-9(16(3)14-7)13-11(18)15(2)10(8)17/h4-6H2,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Guru Jambheshwar University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human SIRT2 using biotin labeled histone H4 peptide with an acetylated lysine 4 as substrate measured after 1 hr by luminescence analys...


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 1


(Homo sapiens (human))
BDBM50193047
PNG
(CHEMBL3915417)
Show SMILES NC(=O)c1cccc(Nc2ccccc2)c1
Show InChI InChI=1S/C13H12N2O/c14-13(16)10-5-4-8-12(9-10)15-11-6-2-1-3-7-11/h1-9,15H,(H2,14,16)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Guru Jambheshwar University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of SIRT1 (unknown origin) using acetylated lysine as substrate by Fluor de Lys assay


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 3


(Homo sapiens (Human))
BDBM50297159
PNG
(2-(phenylamino)benzamide | CHEMBL561194)
Show SMILES NC(=O)c1ccccc1Nc1ccccc1
Show InChI InChI=1S/C13H12N2O/c14-13(16)11-8-4-5-9-12(11)15-10-6-2-1-3-7-10/h1-9,15H,(H2,14,16)
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n/an/a 2.35E+5n/an/an/an/an/an/a



Guru Jambheshwar University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of SIRT3 (unknown origin) using acetylated lysine as substrate by Fluor de Lys assay


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
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