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PubMed code 26982234

Compile Data Set for Download or QSAR

Found 252 hits of Enzyme Inhibition Constant Data   
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))
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))
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))
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))
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-1


(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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3.00E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT1 expressed in Escherichia coli BL21(DE3) cells using Ac-RHK-K(Ac)-AMC as substrate preincubated for 10 mins foll...


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 protein deacetylase sirtuin-3 (SIRT3)


(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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3.40E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT3 expressed in Escherichia coli BL21(DE3) cells using Ac-RHK-K(Ac)-AMC as substrate preincubated for 10 mins foll...


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-1


(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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5.00E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT1 expressed in Escherichia coli BL21(DE3) cells using Ac-RHK-K(Ac)-AMC as substrate preincubated for 10 mins foll...


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 protein deacetylase sirtuin-3 (SIRT3)


(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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5.40E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT3 expressed in Escherichia coli BL21(DE3) cells using Ac-RHK-K(Ac)-AMC as substrate preincubated for 10 mins foll...


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 protein deacetylase sirtuin-3 (SIRT3)


(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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7.20E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT3 expressed in Escherichia coli BL21(DE3) cells using Ac-RHK-K(Ac)-AMC as substrate preincubated for 10 mins foll...


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-1


(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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2.00E+4n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT1 expressed in Escherichia coli BL21(DE3) cells using Ac-RHK-K(Ac)-AMC as substrate preincubated for 10 mins foll...


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-1


(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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>1.00E+5n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT1 expressed in Escherichia coli BL21(DE3) cells using Ac-RHK-K(Ac)-AMC as substrate preincubated for 10 mins foll...


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 protein deacetylase sirtuin-3 (SIRT3)


(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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>1.00E+5n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT3 expressed in Escherichia coli BL21(DE3) cells using Ac-RHK-K(Ac)-AMC as substrate preincubated for 10 mins foll...


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))
BDBM50168494
PNG
(CHEMBL3805001)
Show SMILES NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(cc3)-c3ccccc3)c2)c1
Show InChI InChI=1S/C26H21N3O3/c27-25(30)22-14-24(16-28-15-22)32-17-18-5-4-8-23(13-18)29-26(31)21-11-9-20(10-12-21)19-6-2-1-3-7-19/h1-16H,17H2,(H2,27,30)(H,29,31)
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n/an/a 14n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged SIRT2 (50 to 389 residues) expressed in Escherichia coli using Ac-RHK-K(Ac)-AMC as substrate in...


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))
BDBM50168735
PNG
(CHEMBL3805929)
Show SMILES NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc4cn[nH]c4c3)c2)c1
Show InChI InChI=1S/C21H17N5O3/c22-20(27)16-7-18(11-23-9-16)29-12-13-2-1-3-17(6-13)25-21(28)14-4-5-15-10-24-26-19(15)8-14/h1-11H,12H2,(H2,22,27)(H,24,26)(H,25,28)
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n/an/a 16n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged SIRT2 (50 to 389 residues) expressed in Escherichia coli using Ac-RHK-K(Ac)-AMC as substrate in...


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))
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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n/an/a 17n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged SIRT2 (50 to 389 residues) expressed in Escherichia coli using Ac-RHK-K(Ac)-AMC as substrate in...


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))
BDBM50168488
PNG
(CHEMBL3804834)
Show SMILES NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(cc3)-n3cnnc3)c2)c1
Show InChI InChI=1S/C22H18N6O3/c23-21(29)17-9-20(11-24-10-17)31-12-15-2-1-3-18(8-15)27-22(30)16-4-6-19(7-5-16)28-13-25-26-14-28/h1-11,13-14H,12H2,(H2,23,29)(H,27,30)
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n/an/a 19n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged SIRT2 (50 to 389 residues) expressed in Escherichia coli using Ac-RHK-K(Ac)-AMC as substrate in...


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))
BDBM50168932
PNG
(CHEMBL3805063)
Show SMILES NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(nc3)-n3cccc3)c2)c1
Show InChI InChI=1S/C23H19N5O3/c24-22(29)18-11-20(14-25-12-18)31-15-16-4-3-5-19(10-16)27-23(30)17-6-7-21(26-13-17)28-8-1-2-9-28/h1-14H,15H2,(H2,24,29)(H,27,30)
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n/an/a 22n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged SIRT2 (50 to 389 residues) expressed in Escherichia coli using Ac-RHK-K(Ac)-AMC as substrate in...


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))
BDBM50168485
PNG
(CHEMBL3806268)
Show SMILES NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(cc3)-c3ccncc3)c2)c1
Show InChI InChI=1S/C25H20N4O3/c26-24(30)21-13-23(15-28-14-21)32-16-17-2-1-3-22(12-17)29-25(31)20-6-4-18(5-7-20)19-8-10-27-11-9-19/h1-15H,16H2,(H2,26,30)(H,29,31)
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n/an/a 23n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged SIRT2 (50 to 389 residues) expressed in Escherichia coli using Ac-RHK-K(Ac)-AMC as substrate in...


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))
BDBM50168487
PNG
(CHEMBL3805835)
Show SMILES NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(cc3)-c3ccccn3)c2)c1
Show InChI InChI=1S/C25H20N4O3/c26-24(30)20-13-22(15-27-14-20)32-16-17-4-3-5-21(12-17)29-25(31)19-9-7-18(8-10-19)23-6-1-2-11-28-23/h1-15H,16H2,(H2,26,30)(H,29,31)
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n/an/a 23n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged SIRT2 (50 to 389 residues) expressed in Escherichia coli using Ac-RHK-K(Ac)-AMC as substrate in...


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))
BDBM50168831
PNG
(CHEMBL3805112)
Show SMILES NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc4ccccc4c3)c2)c1
Show InChI InChI=1S/C24H19N3O3/c25-23(28)20-12-22(14-26-13-20)30-15-16-4-3-7-21(10-16)27-24(29)19-9-8-17-5-1-2-6-18(17)11-19/h1-14H,15H2,(H2,25,28)(H,27,29)
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n/an/a 23n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged SIRT2 (50 to 389 residues) expressed in Escherichia coli using Ac-RHK-K(Ac)-AMC as substrate in...


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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University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged SIRT2 (50 to 389 residues) expressed in Escherichia coli using Ac-RHK-K(Ac)-AMC as substrate in...


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))
BDBM50168901
PNG
(CHEMBL3805070)
Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cccc(COc2cncc(c2)C(N)=O)c1
Show InChI InChI=1S/C22H22N4O3/c1-26(2)19-8-6-16(7-9-19)22(28)25-18-5-3-4-15(10-18)14-29-20-11-17(21(23)27)12-24-13-20/h3-13H,14H2,1-2H3,(H2,23,27)(H,25,28)
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n/an/a 27n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged SIRT2 (50 to 389 residues) expressed in Escherichia coli using Ac-RHK-K(Ac)-AMC as substrate in...


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))
BDBM50168486
PNG
(CHEMBL3805847)
Show SMILES NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(cc3)-c3cccnc3)c2)c1
Show InChI InChI=1S/C25H20N4O3/c26-24(30)21-12-23(15-28-14-21)32-16-17-3-1-5-22(11-17)29-25(31)19-8-6-18(7-9-19)20-4-2-10-27-13-20/h1-15H,16H2,(H2,26,30)(H,29,31)
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University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged SIRT2 (50 to 389 residues) expressed in Escherichia coli using Ac-RHK-K(Ac)-AMC as substrate in...


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))
BDBM50168847
PNG
(CHEMBL3805072)
Show SMILES CNC(=O)c1ccc(cc1)C(=O)Nc1cccc(COc2cncc(c2)C(N)=O)c1
Show InChI InChI=1S/C22H20N4O4/c1-24-21(28)15-5-7-16(8-6-15)22(29)26-18-4-2-3-14(9-18)13-30-19-10-17(20(23)27)11-25-12-19/h2-12H,13H2,1H3,(H2,23,27)(H,24,28)(H,26,29)
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University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged SIRT2 (50 to 389 residues) expressed in Escherichia coli using Ac-RHK-K(Ac)-AMC as substrate in...


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))
BDBM50168931
PNG
(CHEMBL3805639)
Show SMILES NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(nc3)-c3ccco3)c2)c1
Show InChI InChI=1S/C23H18N4O4/c24-22(28)17-10-19(13-25-11-17)31-14-15-3-1-4-18(9-15)27-23(29)16-6-7-20(26-12-16)21-5-2-8-30-21/h1-13H,14H2,(H2,24,28)(H,27,29)
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University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged SIRT2 (50 to 389 residues) expressed in Escherichia coli using Ac-RHK-K(Ac)-AMC as substrate in...


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))
BDBM50168934
PNG
(CHEMBL3805586)
Show SMILES NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(c(F)c3)-c3ccccc3)c2)c1
Show InChI InChI=1S/C26H20FN3O3/c27-24-13-19(9-10-23(24)18-6-2-1-3-7-18)26(32)30-21-8-4-5-17(11-21)16-33-22-12-20(25(28)31)14-29-15-22/h1-15H,16H2,(H2,28,31)(H,30,32)
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University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged SIRT2 (50 to 389 residues) expressed in Escherichia coli using Ac-RHK-K(Ac)-AMC as substrate in...


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))
BDBM50168935
PNG
(CHEMBL3805934)
Show SMILES NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(c(F)c3)-c3cccnc3)c2)c1
Show InChI InChI=1S/C25H19FN4O3/c26-23-11-17(6-7-22(23)18-4-2-8-28-12-18)25(32)30-20-5-1-3-16(9-20)15-33-21-10-19(24(27)31)13-29-14-21/h1-14H,15H2,(H2,27,31)(H,30,32)
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University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged SIRT2 (50 to 389 residues) expressed in Escherichia coli using Ac-RHK-K(Ac)-AMC as substrate in...


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))
BDBM50168830
PNG
(CHEMBL3804891)
Show SMILES NC(=O)c1cncc(OCc2cccc(NC(=O)c3cc4ccccc4s3)c2)c1
Show InChI InChI=1S/C22H17N3O3S/c23-21(26)16-9-18(12-24-11-16)28-13-14-4-3-6-17(8-14)25-22(27)20-10-15-5-1-2-7-19(15)29-20/h1-12H,13H2,(H2,23,26)(H,25,27)
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University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged SIRT2 (50 to 389 residues) expressed in Escherichia coli using Ac-RHK-K(Ac)-AMC as substrate in...


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))
BDBM50168933
PNG
(CHEMBL3805825)
Show SMILES NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(nc3)-n3cccn3)c2)c1
Show InChI InChI=1S/C22H18N6O3/c23-21(29)17-10-19(13-24-11-17)31-14-15-3-1-4-18(9-15)27-22(30)16-5-6-20(25-12-16)28-8-2-7-26-28/h1-13H,14H2,(H2,23,29)(H,27,30)
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University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged SIRT2 (50 to 389 residues) expressed in Escherichia coli using Ac-RHK-K(Ac)-AMC as substrate in...


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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n/an/a 34n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged SIRT2 (50 to 389 residues) expressed in Escherichia coli using Ac-RHK-K(Ac)-AMC as substrate in...


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))
BDBM50168736
PNG
(CHEMBL3805740)
Show SMILES NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc4cc[nH]c4c3)c2)c1
Show InChI InChI=1S/C22H18N4O3/c23-21(27)17-9-19(12-24-11-17)29-13-14-2-1-3-18(8-14)26-22(28)16-5-4-15-6-7-25-20(15)10-16/h1-12,25H,13H2,(H2,23,27)(H,26,28)
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University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged SIRT2 (50 to 389 residues) expressed in Escherichia coli using Ac-RHK-K(Ac)-AMC as substrate in...


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))
BDBM50168659
PNG
(CHEMBL3804850)
Show SMILES NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(F)cc3)c2)c1
Show InChI InChI=1S/C20H16FN3O3/c21-16-6-4-14(5-7-16)20(26)24-17-3-1-2-13(8-17)12-27-18-9-15(19(22)25)10-23-11-18/h1-11H,12H2,(H2,22,25)(H,24,26)
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University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged SIRT2 (50 to 389 residues) expressed in Escherichia coli using Ac-RHK-K(Ac)-AMC as substrate in...


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))
BDBM50168843
PNG
(CHEMBL3805831)
Show SMILES NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(cc3)C#C)c2)c1
Show InChI InChI=1S/C22H17N3O3/c1-2-15-6-8-17(9-7-15)22(27)25-19-5-3-4-16(10-19)14-28-20-11-18(21(23)26)12-24-13-20/h1,3-13H,14H2,(H2,23,26)(H,25,27)
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n/an/a 42n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged SIRT2 (50 to 389 residues) expressed in Escherichia coli using Ac-RHK-K(Ac)-AMC as substrate in...


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))
BDBM50168505
PNG
(CHEMBL3805426)
Show SMILES NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(F)c(F)c3)c2)c1
Show InChI InChI=1S/C20H15F2N3O3/c21-17-5-4-13(8-18(17)22)20(27)25-15-3-1-2-12(6-15)11-28-16-7-14(19(23)26)9-24-10-16/h1-10H,11H2,(H2,23,26)(H,25,27)
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n/an/a 42n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged SIRT2 (50 to 389 residues) expressed in Escherichia coli using Ac-RHK-K(Ac)-AMC as substrate in...


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))
BDBM50168930
PNG
(CHEMBL3805578)
Show SMILES NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(nc3)-c3cccs3)c2)c1
Show InChI InChI=1S/C23H18N4O3S/c24-22(28)17-10-19(13-25-11-17)30-14-15-3-1-4-18(9-15)27-23(29)16-6-7-20(26-12-16)21-5-2-8-31-21/h1-13H,14H2,(H2,24,28)(H,27,29)
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University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged SIRT2 (50 to 389 residues) expressed in Escherichia coli using Ac-RHK-K(Ac)-AMC as substrate in...


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))
BDBM50168928
PNG
(CHEMBL3805547)
Show SMILES NC(=O)c1cncc(OCc2cccc(NC(=O)\C=C\c3ccncc3)c2)c1
Show InChI InChI=1S/C21H18N4O3/c22-21(27)17-11-19(13-24-12-17)28-14-16-2-1-3-18(10-16)25-20(26)5-4-15-6-8-23-9-7-15/h1-13H,14H2,(H2,22,27)(H,25,26)/b5-4+
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University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged SIRT2 (50 to 389 residues) expressed in Escherichia coli using Ac-RHK-K(Ac)-AMC as substrate in...


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))
BDBM50168490
PNG
(CHEMBL3805630)
Show SMILES NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(cc3)-n3cccn3)c2)c1
Show InChI InChI=1S/C23H19N5O3/c24-22(29)18-12-21(14-25-13-18)31-15-16-3-1-4-19(11-16)27-23(30)17-5-7-20(8-6-17)28-10-2-9-26-28/h1-14H,15H2,(H2,24,29)(H,27,30)
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University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged SIRT2 (50 to 389 residues) expressed in Escherichia coli using Ac-RHK-K(Ac)-AMC as substrate in...


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))
BDBM50168936
PNG
(CHEMBL3805492)
Show SMILES NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(c(F)c3)-c3ccncc3)c2)c1
Show InChI InChI=1S/C25H19FN4O3/c26-23-12-18(4-5-22(23)17-6-8-28-9-7-17)25(32)30-20-3-1-2-16(10-20)15-33-21-11-19(24(27)31)13-29-14-21/h1-14H,15H2,(H2,27,31)(H,30,32)
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University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged SIRT2 (50 to 389 residues) expressed in Escherichia coli using Ac-RHK-K(Ac)-AMC as substrate in...


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))
BDBM50168492
PNG
(CHEMBL3804908)
Show SMILES NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(cc3)-c3nccs3)c2)c1
Show InChI InChI=1S/C23H18N4O3S/c24-21(28)18-11-20(13-25-12-18)30-14-15-2-1-3-19(10-15)27-22(29)16-4-6-17(7-5-16)23-26-8-9-31-23/h1-13H,14H2,(H2,24,28)(H,27,29)
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n/an/a 46n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged SIRT2 (50 to 389 residues) expressed in Escherichia coli using Ac-RHK-K(Ac)-AMC as substrate in...


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))
BDBM50168929
PNG
(CHEMBL3805694)
Show SMILES NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(nc3)-c3ccccc3)c2)c1
Show InChI InChI=1S/C25H20N4O3/c26-24(30)20-12-22(15-27-13-20)32-16-17-5-4-8-21(11-17)29-25(31)19-9-10-23(28-14-19)18-6-2-1-3-7-18/h1-15H,16H2,(H2,26,30)(H,29,31)
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n/an/a 47n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged SIRT2 (50 to 389 residues) expressed in Escherichia coli using Ac-RHK-K(Ac)-AMC as substrate in...


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))
BDBM50168846
PNG
(CHEMBL3805304)
Show SMILES NC(=O)c1ccc(cc1)C(=O)Nc1cccc(COc2cncc(c2)C(N)=O)c1
Show InChI InChI=1S/C21H18N4O4/c22-19(26)14-4-6-15(7-5-14)21(28)25-17-3-1-2-13(8-17)12-29-18-9-16(20(23)27)10-24-11-18/h1-11H,12H2,(H2,22,26)(H2,23,27)(H,25,28)
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n/an/a 48n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged SIRT2 (50 to 389 residues) expressed in Escherichia coli using Ac-RHK-K(Ac)-AMC as substrate in...


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))
BDBM50030100
PNG
(CHEMBL3343652)
Show SMILES NC(=O)c1cncc(Oc2cccc3c(NC(=O)c4ccccc4)cccc23)c1
Show InChI InChI=1S/C23H17N3O3/c24-22(27)16-12-17(14-25-13-16)29-21-11-5-8-18-19(21)9-4-10-20(18)26-23(28)15-6-2-1-3-7-15/h1-14H,(H2,24,27)(H,26,28)
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n/an/a 48n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged SIRT2 (50 to 389 residues) expressed in Escherichia coli using Ac-RHK-K(Ac)-AMC as substrate in...


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))
BDBM50168849
PNG
(CHEMBL3805427)
Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1cccc(COc2cncc(c2)C(N)=O)c1
Show InChI InChI=1S/C22H20N4O4/c1-14(27)25-18-7-5-16(6-8-18)22(29)26-19-4-2-3-15(9-19)13-30-20-10-17(21(23)28)11-24-12-20/h2-12H,13H2,1H3,(H2,23,28)(H,25,27)(H,26,29)
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n/an/a 49n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged SIRT2 (50 to 389 residues) expressed in Escherichia coli using Ac-RHK-K(Ac)-AMC as substrate in...


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))
BDBM50168829
PNG
(CHEMBL3805130)
Show SMILES NC(=O)c1cncc(OCc2cccc(NC(=O)c3cc4ccccc4o3)c2)c1
Show InChI InChI=1S/C22H17N3O4/c23-21(26)16-9-18(12-24-11-16)28-13-14-4-3-6-17(8-14)25-22(27)20-10-15-5-1-2-7-19(15)29-20/h1-12H,13H2,(H2,23,26)(H,25,27)
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n/an/a 65n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged SIRT2 (50 to 389 residues) expressed in Escherichia coli using Ac-RHK-K(Ac)-AMC as substrate in...


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))
BDBM50168828
PNG
(CHEMBL3805464)
Show SMILES NC(=O)c1cncc(OCc2cccc(NC(=O)c3cc4ccccc4[nH]3)c2)c1
Show InChI InChI=1S/C22H18N4O3/c23-21(27)16-9-18(12-24-11-16)29-13-14-4-3-6-17(8-14)25-22(28)20-10-15-5-1-2-7-19(15)26-20/h1-12,26H,13H2,(H2,23,27)(H,25,28)
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n/an/a 71n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged SIRT2 (50 to 389 residues) expressed in Escherichia coli using Ac-RHK-K(Ac)-AMC as substrate in...


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))
BDBM50168728
PNG
(CHEMBL3805650)
Show SMILES NC(=O)c1cncc(OCc2cccc(NC(=O)c3cccc(F)c3)c2)c1
Show InChI InChI=1S/C20H16FN3O3/c21-16-5-2-4-14(8-16)20(26)24-17-6-1-3-13(7-17)12-27-18-9-15(19(22)25)10-23-11-18/h1-11H,12H2,(H2,22,25)(H,24,26)
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n/an/a 75n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged SIRT2 (50 to 389 residues) expressed in Escherichia coli using Ac-RHK-K(Ac)-AMC as substrate in...


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))
BDBM50168813
PNG
(CHEMBL3805778)
Show SMILES NC(=O)c1cncc(OCc2cccc(NC(=O)c3c[nH]c4ccccc34)c2)c1
Show InChI InChI=1S/C22H18N4O3/c23-21(27)15-9-17(11-24-10-15)29-13-14-4-3-5-16(8-14)26-22(28)19-12-25-20-7-2-1-6-18(19)20/h1-12,25H,13H2,(H2,23,27)(H,26,28)
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n/an/a 83n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged SIRT2 (50 to 389 residues) expressed in Escherichia coli using Ac-RHK-K(Ac)-AMC as substrate in...


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))
BDBM50168497
PNG
(CHEMBL3805224)
Show SMILES CC(C)c1ccc(cc1)C(=O)Nc1cccc(COc2cncc(c2)C(N)=O)c1
Show InChI InChI=1S/C23H23N3O3/c1-15(2)17-6-8-18(9-7-17)23(28)26-20-5-3-4-16(10-20)14-29-21-11-19(22(24)27)12-25-13-21/h3-13,15H,14H2,1-2H3,(H2,24,27)(H,26,28)
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n/an/a 95n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged SIRT2 (50 to 389 residues) expressed in Escherichia coli using Ac-RHK-K(Ac)-AMC as substrate in...


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))
BDBM50168903
PNG
(CHEMBL3805035)
Show SMILES NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(cc3)N3CCCC3)c2)c1
Show InChI InChI=1S/C24H24N4O3/c25-23(29)19-13-22(15-26-14-19)31-16-17-4-3-5-20(12-17)27-24(30)18-6-8-21(9-7-18)28-10-1-2-11-28/h3-9,12-15H,1-2,10-11,16H2,(H2,25,29)(H,27,30)
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n/an/a 98n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged SIRT2 (50 to 389 residues) expressed in Escherichia coli using Ac-RHK-K(Ac)-AMC as substrate in...


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))
BDBM50168844
PNG
(CHEMBL3805267)
Show SMILES COC(=O)c1ccc(cc1)C(=O)Nc1cccc(COc2cncc(c2)C(N)=O)c1
Show InChI InChI=1S/C22H19N3O5/c1-29-22(28)16-7-5-15(6-8-16)21(27)25-18-4-2-3-14(9-18)13-30-19-10-17(20(23)26)11-24-12-19/h2-12H,13H2,1H3,(H2,23,26)(H,25,27)
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n/an/a 102n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged SIRT2 (50 to 389 residues) expressed in Escherichia coli using Ac-RHK-K(Ac)-AMC as substrate in...


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
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* indicates data uncertainty>20%