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Compile Data Set for Download or QSAR

Found 60 hits with Last Name = 'valkov' and Initial = 'v'   
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
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50346554
PNG
(CHEMBL106011)
Show SMILES Fc1ccc(cc1)-n1sc2ncccc2c1=O
Show InChI InChI=1S/C12H7FN2OS/c13-8-3-5-9(6-4-8)15-12(16)10-2-1-7-14-11(10)17-15/h1-7H
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n/an/a 720n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50346563
PNG
(CHEMBL1795605)
Show SMILES [O-][N+](=O)c1cnc2sn(-c3ccc(Br)cc3)c(=O)c2c1
Show InChI InChI=1S/C12H6BrN3O3S/c13-7-1-3-8(4-2-7)15-12(17)10-5-9(16(18)19)6-14-11(10)20-15/h1-6H
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n/an/a 860n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50346550
PNG
(CHEMBL270110)
Show SMILES Cc1ccc(cc1)[C@H]1CC(=O)Oc2ccc3cc(C)ccc3c12
Show InChI InChI=1S/C21H18O2/c1-13-3-6-15(7-4-13)18-12-20(22)23-19-10-8-16-11-14(2)5-9-17(16)21(18)19/h3-11,18H,12H2,1-2H3/t18-/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Albert-Ludwigs-Universit£t Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Sirt2 expressed in Escherichia coli BL21 by fluorescent deacetylase assay


J Med Chem 51: 1203-13 (2008)


Article DOI: 10.1021/jm700972e
BindingDB Entry DOI: 10.7270/Q22N534Q
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50373762
PNG
(CHEMBL438203)
Show SMILES Cc1ccc(cc1)C1CC(=O)Oc2ccc3cc(Br)ccc3c12 |w:7.7|
Show InChI InChI=1S/C20H15BrO2/c1-12-2-4-13(5-3-12)17-11-19(22)23-18-9-6-14-10-15(21)7-8-16(14)20(17)18/h2-10,17H,11H2,1H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Albert-Ludwigs-Universit£t Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Sirt2 expressed in Escherichia coli BL21 by fluorescent deacetylase assay


J Med Chem 51: 1203-13 (2008)


Article DOI: 10.1021/jm700972e
BindingDB Entry DOI: 10.7270/Q22N534Q
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50346550
PNG
(CHEMBL270110)
Show SMILES Cc1ccc(cc1)[C@H]1CC(=O)Oc2ccc3cc(C)ccc3c12
Show InChI InChI=1S/C21H18O2/c1-13-3-6-15(7-4-13)18-12-20(22)23-19-10-8-16-11-14(2)5-9-17(16)21(18)19/h3-11,18H,12H2,1-2H3/t18-/m1/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Albert-Ludwigs-Universit£t Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Sirt2 expressed in Escherichia coli BL21 by fluorescent deacetylase assay


J Med Chem 51: 1203-13 (2008)


Article DOI: 10.1021/jm700972e
BindingDB Entry DOI: 10.7270/Q22N534Q
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50346554
PNG
(CHEMBL106011)
Show SMILES Fc1ccc(cc1)-n1sc2ncccc2c1=O
Show InChI InChI=1S/C12H7FN2OS/c13-8-3-5-9(6-4-8)15-12(16)10-2-1-7-14-11(10)17-15/h1-7H
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n/an/a 1.64E+3n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50346555
PNG
(CHEMBL1795609)
Show SMILES COc1ccc(cc1)-n1sc2ncc(cc2c1=O)[N+]([O-])=O
Show InChI InChI=1S/C13H9N3O4S/c1-20-10-4-2-8(3-5-10)15-13(17)11-6-9(16(18)19)7-14-12(11)21-15/h2-7H,1H3
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n/an/a 1.83E+3n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50373754
PNG
(CHEMBL273076)
Show SMILES Cc1ccc(cc1F)C1CC(=O)Oc2ccc3cc(Br)ccc3c12 |w:8.8|
Show InChI InChI=1S/C20H14BrFO2/c1-11-2-3-13(9-17(11)22)16-10-19(23)24-18-7-4-12-8-14(21)5-6-15(12)20(16)18/h2-9,16H,10H2,1H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Albert-Ludwigs-Universit£t Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Sirt2 expressed in Escherichia coli BL21 by fluorescent deacetylase assay


J Med Chem 51: 1203-13 (2008)


Article DOI: 10.1021/jm700972e
BindingDB Entry DOI: 10.7270/Q22N534Q
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50373755
PNG
(CHEMBL270478)
Show SMILES Cc1ccc(cc1Cl)C1CC(=O)Oc2ccc3cc(Br)ccc3c12 |w:8.8|
Show InChI InChI=1S/C20H14BrClO2/c1-11-2-3-13(9-17(11)22)16-10-19(23)24-18-7-4-12-8-14(21)5-6-15(12)20(16)18/h2-9,16H,10H2,1H3
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n/an/a 2.30E+3n/an/an/an/an/an/a



Albert-Ludwigs-Universit£t Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Sirt2 expressed in Escherichia coli BL21 by fluorescent deacetylase assay


J Med Chem 51: 1203-13 (2008)


Article DOI: 10.1021/jm700972e
BindingDB Entry DOI: 10.7270/Q22N534Q
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50373756
PNG
(CHEMBL407517)
Show SMILES COc1cccc(c1)C1CC(=O)Oc2ccc3cc(Br)ccc3c12 |w:8.8|
Show InChI InChI=1S/C20H15BrO3/c1-23-15-4-2-3-12(10-15)17-11-19(22)24-18-8-5-13-9-14(21)6-7-16(13)20(17)18/h2-10,17H,11H2,1H3
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n/an/a 2.30E+3n/an/an/an/an/an/a



Albert-Ludwigs-Universit£t Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Sirt2 expressed in Escherichia coli BL21 by fluorescent deacetylase assay


J Med Chem 51: 1203-13 (2008)


Article DOI: 10.1021/jm700972e
BindingDB Entry DOI: 10.7270/Q22N534Q
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50346556
PNG
(CHEMBL1795611)
Show SMILES Cc1cnc2sn(-c3ccc(cc3)[N+]([O-])=O)c(=O)c2c1
Show InChI InChI=1S/C13H9N3O3S/c1-8-6-11-12(14-7-8)20-15(13(11)17)9-2-4-10(5-3-9)16(18)19/h2-7H,1H3
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n/an/a 2.72E+3n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50346557
PNG
(CHEMBL99137)
Show SMILES [O-][N+](=O)c1ccc(cc1)-n1sc2ncccc2c1=O
Show InChI InChI=1S/C12H7N3O3S/c16-12-10-2-1-7-13-11(10)19-14(12)8-3-5-9(6-4-8)15(17)18/h1-7H
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n/an/a 2.99E+3n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50346561
PNG
(CHEMBL1795604)
Show SMILES Cc1cnc2sn(-c3ccc(Br)cc3)c(=O)c2c1
Show InChI InChI=1S/C13H9BrN2OS/c1-8-6-11-12(15-7-8)18-16(13(11)17)10-4-2-9(14)3-5-10/h2-7H,1H3
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n/an/a 2.99E+3n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50373751
PNG
(CHEMBL407059)
Show SMILES Cc1ccc2c3C(CC(=O)Oc3ccc2c1)c1cccc(c1)C#N |w:6.18|
Show InChI InChI=1S/C21H15NO2/c1-13-5-7-17-16(9-13)6-8-19-21(17)18(11-20(23)24-19)15-4-2-3-14(10-15)12-22/h2-10,18H,11H2,1H3
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n/an/a 3.10E+3n/an/an/an/an/an/a



Albert-Ludwigs-Universit£t Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Sirt2 expressed in Escherichia coli BL21 by fluorescent deacetylase assay


J Med Chem 51: 1203-13 (2008)


Article DOI: 10.1021/jm700972e
BindingDB Entry DOI: 10.7270/Q22N534Q
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50373757
PNG
(CHEMBL409006)
Show SMILES Fc1cccc(c1)C1CC(=O)Oc2ccc3cc(Br)ccc3c12 |w:7.7|
Show InChI InChI=1S/C19H12BrFO2/c20-13-5-6-15-12(8-13)4-7-17-19(15)16(10-18(22)23-17)11-2-1-3-14(21)9-11/h1-9,16H,10H2
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n/an/a 3.20E+3n/an/an/an/an/an/a



Albert-Ludwigs-Universit£t Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Sirt2 expressed in Escherichia coli BL21 by fluorescent deacetylase assay


J Med Chem 51: 1203-13 (2008)


Article DOI: 10.1021/jm700972e
BindingDB Entry DOI: 10.7270/Q22N534Q
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50373753
PNG
(CHEMBL261605)
Show SMILES Cc1ccc2c3[C@H](CC(=O)Oc3ccc2c1)c1ccccc1
Show InChI InChI=1S/C20H16O2/c1-13-7-9-16-15(11-13)8-10-18-20(16)17(12-19(21)22-18)14-5-3-2-4-6-14/h2-11,17H,12H2,1H3/t17-/m1/s1
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n/an/a 3.40E+3n/an/an/an/an/an/a



Albert-Ludwigs-Universit£t Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Sirt2 expressed in Escherichia coli BL21 by fluorescent deacetylase assay


J Med Chem 51: 1203-13 (2008)


Article DOI: 10.1021/jm700972e
BindingDB Entry DOI: 10.7270/Q22N534Q
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50373752
PNG
(CHEMBL270109)
Show SMILES Cc1ccc2c3C(CC(=O)Oc3ccc2c1)c1ccc(C)c(F)c1 |w:6.18|
Show InChI InChI=1S/C21H17FO2/c1-12-3-7-16-14(9-12)6-8-19-21(16)17(11-20(23)24-19)15-5-4-13(2)18(22)10-15/h3-10,17H,11H2,1-2H3
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n/an/a 3.40E+3n/an/an/an/an/an/a



Albert-Ludwigs-Universit£t Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Sirt2 expressed in Escherichia coli BL21 by fluorescent deacetylase assay


J Med Chem 51: 1203-13 (2008)


Article DOI: 10.1021/jm700972e
BindingDB Entry DOI: 10.7270/Q22N534Q
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50346555
PNG
(CHEMBL1795609)
Show SMILES COc1ccc(cc1)-n1sc2ncc(cc2c1=O)[N+]([O-])=O
Show InChI InChI=1S/C13H9N3O4S/c1-20-10-4-2-8(3-5-10)15-13(17)11-6-9(16(18)19)7-14-12(11)21-15/h2-7H,1H3
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n/an/a 3.42E+3n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50346567
PNG
(CHEMBL318367)
Show SMILES Clc1ccc(cc1)-n1sc2ncccc2c1=O
Show InChI InChI=1S/C12H7ClN2OS/c13-8-3-5-9(6-4-8)15-12(16)10-2-1-7-14-11(10)17-15/h1-7H
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n/an/a 3.53E+3n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50346579
PNG
(CHEMBL1795800)
Show SMILES Cc1ccc(cc1)-n1sc2cc(F)ccc2c1=O
Show InChI InChI=1S/C14H10FNOS/c1-9-2-5-11(6-3-9)16-14(17)12-7-4-10(15)8-13(12)18-16/h2-8H,1H3
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n/an/a 3.69E+3n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50346557
PNG
(CHEMBL99137)
Show SMILES [O-][N+](=O)c1ccc(cc1)-n1sc2ncccc2c1=O
Show InChI InChI=1S/C12H7N3O3S/c16-12-10-2-1-7-13-11(10)19-14(12)8-3-5-9(6-4-8)15(17)18/h1-7H
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n/an/a 4.10E+3n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50373749
PNG
(CHEMBL271536)
Show SMILES Cc1cccc(c1)C1CC(=O)Oc2ccc3cc(C)ccc3c12 |w:7.7|
Show InChI InChI=1S/C21H18O2/c1-13-4-3-5-15(10-13)18-12-20(22)23-19-9-7-16-11-14(2)6-8-17(16)21(18)19/h3-11,18H,12H2,1-2H3
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n/an/a 4.40E+3n/an/an/an/an/an/a



Albert-Ludwigs-Universit£t Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Sirt2 expressed in Escherichia coli BL21 by fluorescent deacetylase assay


J Med Chem 51: 1203-13 (2008)


Article DOI: 10.1021/jm700972e
BindingDB Entry DOI: 10.7270/Q22N534Q
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50346562
PNG
(CHEMBL101422)
Show SMILES Brc1ccc(cc1)-n1sc2ncccc2c1=O
Show InChI InChI=1S/C12H7BrN2OS/c13-8-3-5-9(6-4-8)15-12(16)10-2-1-7-14-11(10)17-15/h1-7H
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n/an/a 4.43E+3n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50346568
PNG
(CHEMBL1795614)
Show SMILES Clc1ccc(cc1Cl)-n1sc2ncccc2c1=O
Show InChI InChI=1S/C12H6Cl2N2OS/c13-9-4-3-7(6-10(9)14)16-12(17)8-2-1-5-15-11(8)18-16/h1-6H
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n/an/a 4.57E+3n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50346570
PNG
(CHEMBL1795616)
Show SMILES Cc1ccc(cc1)-n1sc2ncccc2c1=O
Show InChI InChI=1S/C13H10N2OS/c1-9-4-6-10(7-5-9)15-13(16)11-3-2-8-14-12(11)17-15/h2-8H,1H3
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n/an/a 4.63E+3n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50346580
PNG
(CHEMBL1795796)
Show SMILES [O-][N+](=O)c1cc(ccc1Cl)-n1sccc1=O
Show InChI InChI=1S/C9H5ClN2O3S/c10-7-2-1-6(5-8(7)12(14)15)11-9(13)3-4-16-11/h1-5H
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n/an/a 4.80E+3n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50346563
PNG
(CHEMBL1795605)
Show SMILES [O-][N+](=O)c1cnc2sn(-c3ccc(Br)cc3)c(=O)c2c1
Show InChI InChI=1S/C12H6BrN3O3S/c13-7-1-3-8(4-2-7)15-12(17)10-5-9(16(18)19)6-14-11(10)20-15/h1-6H
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n/an/a 4.91E+3n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50346571
PNG
(CHEMBL102387)
Show SMILES COc1cccc(c1)-n1sc2ncccc2c1=O
Show InChI InChI=1S/C13H10N2O2S/c1-17-10-5-2-4-9(8-10)15-13(16)11-6-3-7-14-12(11)18-15/h2-8H,1H3
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n/an/a 5.03E+3n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50373763
PNG
(CHEMBL270292)
Show SMILES Brc1ccc2c3C(CC(=O)Oc3ccc2c1)c1ccccc1 |w:6.18|
Show InChI InChI=1S/C19H13BrO2/c20-14-7-8-15-13(10-14)6-9-17-19(15)16(11-18(21)22-17)12-4-2-1-3-5-12/h1-10,16H,11H2
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n/an/a 5.20E+3n/an/an/an/an/an/a



Albert-Ludwigs-Universit£t Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Sirt2 expressed in Escherichia coli BL21 by fluorescent deacetylase assay


J Med Chem 51: 1203-13 (2008)


Article DOI: 10.1021/jm700972e
BindingDB Entry DOI: 10.7270/Q22N534Q
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50373761
PNG
(CHEMBL270291)
Show SMILES COc1ccc(cc1)C1CC(=O)Oc2ccc3cc(Br)ccc3c12 |w:8.8|
Show InChI InChI=1S/C20H15BrO3/c1-23-15-6-2-12(3-7-15)17-11-19(22)24-18-9-4-13-10-14(21)5-8-16(13)20(17)18/h2-10,17H,11H2,1H3
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n/an/a 5.40E+3n/an/an/an/an/an/a



Albert-Ludwigs-Universit£t Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Sirt2 expressed in Escherichia coli BL21 by fluorescent deacetylase assay


J Med Chem 51: 1203-13 (2008)


Article DOI: 10.1021/jm700972e
BindingDB Entry DOI: 10.7270/Q22N534Q
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50346565
PNG
(CHEMBL95284)
Show SMILES COc1ccc(cc1)-n1sc2ncccc2c1=O
Show InChI InChI=1S/C13H10N2O2S/c1-17-10-6-4-9(5-7-10)15-13(16)11-3-2-8-14-12(11)18-15/h2-8H,1H3
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n/an/a 5.71E+3n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50346569
PNG
(CHEMBL1795615)
Show SMILES Fc1ccc(cc1F)-n1sc2ncccc2c1=O
Show InChI InChI=1S/C12H6F2N2OS/c13-9-4-3-7(6-10(9)14)16-12(17)8-2-1-5-15-11(8)18-16/h1-6H
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n/an/a 5.90E+3n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50373746
PNG
(CHEMBL402446)
Show SMILES Brc1ccc2c3C(CC(=O)Nc3ccc2c1)c1ccccc1 |w:6.18|
Show InChI InChI=1S/C19H14BrNO/c20-14-7-8-15-13(10-14)6-9-17-19(15)16(11-18(22)21-17)12-4-2-1-3-5-12/h1-10,16H,11H2,(H,21,22)
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n/an/a 6.40E+3n/an/an/an/an/an/a



Albert-Ludwigs-Universit£t Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Sirt2 expressed in Escherichia coli BL21 by fluorescent deacetylase assay


J Med Chem 51: 1203-13 (2008)


Article DOI: 10.1021/jm700972e
BindingDB Entry DOI: 10.7270/Q22N534Q
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50346581
PNG
(CHEMBL1795612)
Show SMILES COc1ccc(cc1)-n1sc2ncc(C)cc2c1=O
Show InChI InChI=1S/C14H12N2O2S/c1-9-7-12-13(15-8-9)19-16(14(12)17)10-3-5-11(18-2)6-4-10/h3-8H,1-2H3
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n/an/a 6.51E+3n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50346574
PNG
(CHEMBL1795619)
Show SMILES Clc1ccc(Cn2sc3ncccc3c2=O)cc1Cl
Show InChI InChI=1S/C13H8Cl2N2OS/c14-10-4-3-8(6-11(10)15)7-17-13(18)9-2-1-5-16-12(9)19-17/h1-6H,7H2
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n/an/a 6.94E+3n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50346560
PNG
(CHEMBL1795799)
Show SMILES [O-][N+](=O)c1ccc2c(c1)sn(Cc1ccccc1)c2=O
Show InChI InChI=1S/C14H10N2O3S/c17-14-12-7-6-11(16(18)19)8-13(12)20-15(14)9-10-4-2-1-3-5-10/h1-8H,9H2
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n/an/a 7.66E+3n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50037078
PNG
(2-(Phenyl)-isothiazolo[5,4-b]pyridin-3(2H)-one | 2...)
Show SMILES O=c1n(sc2ncccc12)-c1ccccc1
Show InChI InChI=1S/C12H8N2OS/c15-12-10-7-4-8-13-11(10)16-14(12)9-5-2-1-3-6-9/h1-8H
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n/an/a 7.85E+3n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50373760
PNG
(CHEMBL405156)
Show SMILES Fc1ccc(cc1)C1CC(=O)Oc2ccc3cc(Br)ccc3c12 |w:7.7|
Show InChI InChI=1S/C19H12BrFO2/c20-13-4-7-15-12(9-13)3-8-17-19(15)16(10-18(22)23-17)11-1-5-14(21)6-2-11/h1-9,16H,10H2
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n/an/a 7.90E+3n/an/an/an/an/an/a



Albert-Ludwigs-Universit£t Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Sirt2 expressed in Escherichia coli BL21 by fluorescent deacetylase assay


J Med Chem 51: 1203-13 (2008)


Article DOI: 10.1021/jm700972e
BindingDB Entry DOI: 10.7270/Q22N534Q
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50373748
PNG
(CHEMBL429433)
Show SMILES Cc1ccc2c3C(CC(=O)Oc3ccc2c1)c1cccc(Br)c1 |w:6.18|
Show InChI InChI=1S/C20H15BrO2/c1-12-5-7-16-14(9-12)6-8-18-20(16)17(11-19(22)23-18)13-3-2-4-15(21)10-13/h2-10,17H,11H2,1H3
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n/an/a 9.80E+3n/an/an/an/an/an/a



Albert-Ludwigs-Universit£t Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Sirt2 expressed in Escherichia coli BL21 by fluorescent deacetylase assay


J Med Chem 51: 1203-13 (2008)


Article DOI: 10.1021/jm700972e
BindingDB Entry DOI: 10.7270/Q22N534Q
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50373758
PNG
(CHEMBL270075)
Show SMILES Brc1cccc(c1)C1CC(=O)Oc2ccc3cc(Br)ccc3c12 |w:7.7|
Show InChI InChI=1S/C19H12Br2O2/c20-13-3-1-2-11(8-13)16-10-18(22)23-17-7-4-12-9-14(21)5-6-15(12)19(16)17/h1-9,16H,10H2
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n/an/a 1.01E+4n/an/an/an/an/an/a



Albert-Ludwigs-Universit£t Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Sirt2 expressed in Escherichia coli BL21 by fluorescent deacetylase assay


J Med Chem 51: 1203-13 (2008)


Article DOI: 10.1021/jm700972e
BindingDB Entry DOI: 10.7270/Q22N534Q
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50373753
PNG
(CHEMBL261605)
Show SMILES Cc1ccc2c3[C@H](CC(=O)Oc3ccc2c1)c1ccccc1
Show InChI InChI=1S/C20H16O2/c1-13-7-9-16-15(11-13)8-10-18-20(16)17(12-19(21)22-18)14-5-3-2-4-6-14/h2-11,17H,12H2,1H3/t17-/m1/s1
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n/an/a 1.06E+4n/an/an/an/an/an/a



Albert-Ludwigs-Universit£t Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Sirt2 expressed in Escherichia coli BL21 by fluorescent deacetylase assay


J Med Chem 51: 1203-13 (2008)


Article DOI: 10.1021/jm700972e
BindingDB Entry DOI: 10.7270/Q22N534Q
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50346558
PNG
(CHEMBL1795606)
Show SMILES [O-][N+](=O)c1ccc(cc1)-n1sc2ncc(cc2c1=O)[N+]([O-])=O
Show InChI InChI=1S/C12H6N4O5S/c17-12-10-5-9(16(20)21)6-13-11(10)22-14(12)7-1-3-8(4-2-7)15(18)19/h1-6H
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n/an/a 1.18E+4n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50346564
PNG
(CHEMBL1795607)
Show SMILES Cc1cnc2sn(-c3ccc(Oc4ccccc4)cc3)c(=O)c2c1
Show InChI InChI=1S/C19H14N2O2S/c1-13-11-17-18(20-12-13)24-21(19(17)22)14-7-9-16(10-8-14)23-15-5-3-2-4-6-15/h2-12H,1H3
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n/an/a 1.29E+4n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50346556
PNG
(CHEMBL1795611)
Show SMILES Cc1cnc2sn(-c3ccc(cc3)[N+]([O-])=O)c(=O)c2c1
Show InChI InChI=1S/C13H9N3O3S/c1-8-6-11-12(14-7-8)20-15(13(11)17)9-2-4-10(5-3-9)16(18)19/h2-7H,1H3
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n/an/a 1.53E+4n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50346558
PNG
(CHEMBL1795606)
Show SMILES [O-][N+](=O)c1ccc(cc1)-n1sc2ncc(cc2c1=O)[N+]([O-])=O
Show InChI InChI=1S/C12H6N4O5S/c17-12-10-5-9(16(20)21)6-13-11(10)22-14(12)7-1-3-8(4-2-7)15(18)19/h1-6H
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n/an/a 1.58E+4n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50346566
PNG
(CHEMBL1795610)
Show SMILES CCCCc1ccc(cc1)-n1sc2ncccc2c1=O
Show InChI InChI=1S/C16H16N2OS/c1-2-3-5-12-7-9-13(10-8-12)18-16(19)14-6-4-11-17-15(14)20-18/h4,6-11H,2-3,5H2,1H3
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n/an/a 1.59E+4n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50346573
PNG
(CHEMBL1795618)
Show SMILES Clc1ccc(Cn2sc3ncccc3c2=O)cc1
Show InChI InChI=1S/C13H9ClN2OS/c14-10-5-3-9(4-6-10)8-16-13(17)11-2-1-7-15-12(11)18-16/h1-7H,8H2
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n/an/a 1.75E+4n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50373747
PNG
(CHEMBL270905)
Show SMILES Ic1ccc2c3C(CC(=O)Oc3ccc2c1)c1ccccc1 |w:6.18|
Show InChI InChI=1S/C19H13IO2/c20-14-7-8-15-13(10-14)6-9-17-19(15)16(11-18(21)22-17)12-4-2-1-3-5-12/h1-10,16H,11H2
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n/an/a 1.95E+4n/an/an/an/an/an/a



Albert-Ludwigs-Universit£t Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Sirt2 expressed in Escherichia coli BL21 by fluorescent deacetylase assay


J Med Chem 51: 1203-13 (2008)


Article DOI: 10.1021/jm700972e
BindingDB Entry DOI: 10.7270/Q22N534Q
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50373759
PNG
(CHEMBL272461)
Show SMILES Fc1ccc(cc1F)C1CC(=O)Oc2ccc3cc(Br)ccc3c12 |w:8.8|
Show InChI InChI=1S/C19H11BrF2O2/c20-12-3-4-13-10(7-12)2-6-17-19(13)14(9-18(23)24-17)11-1-5-15(21)16(22)8-11/h1-8,14H,9H2
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n/an/a 1.97E+4n/an/an/an/an/an/a



Albert-Ludwigs-Universit£t Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Sirt2 expressed in Escherichia coli BL21 by fluorescent deacetylase assay


J Med Chem 51: 1203-13 (2008)


Article DOI: 10.1021/jm700972e
BindingDB Entry DOI: 10.7270/Q22N534Q
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50373750
PNG
(CHEMBL406803)
Show SMILES Cc1ccc2c3C(CC(=O)Oc3ccc2c1)c1cccc(c1)C(N)=O |w:6.18|
Show InChI InChI=1S/C21H17NO3/c1-12-5-7-16-14(9-12)6-8-18-20(16)17(11-19(23)25-18)13-3-2-4-15(10-13)21(22)24/h2-10,17H,11H2,1H3,(H2,22,24)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Albert-Ludwigs-Universit£t Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Sirt2 expressed in Escherichia coli BL21 by fluorescent deacetylase assay


J Med Chem 51: 1203-13 (2008)


Article DOI: 10.1021/jm700972e
BindingDB Entry DOI: 10.7270/Q22N534Q
More data for this
Ligand-Target Pair
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