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PubMed code 19285395

Compile data set for download or QSAR
Found 66 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
Histone deacetylase 6


(Homo sapiens (Human))
BDBM19130
PNG
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
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n/an/a 0.400n/an/an/an/an/an/a



R&D Sigma-Tau SpA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6


Bioorg Med Chem Lett 19: 2346-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.029
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM19130
PNG
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
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n/an/a 7n/an/an/an/an/an/a



R&D Sigma-Tau SpA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1


Bioorg Med Chem Lett 19: 2346-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.029
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM19130
PNG
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
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n/an/a 10n/an/an/an/an/an/a



R&D Sigma-Tau SpA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC3


Bioorg Med Chem Lett 19: 2346-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.029
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM19130
PNG
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
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n/an/a 12n/an/an/an/an/an/a



R&D Sigma-Tau SpA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC4


Bioorg Med Chem Lett 19: 2346-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.029
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM19130
PNG
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
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n/an/a 15n/an/an/an/an/an/a



R&D Sigma-Tau SpA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC11


Bioorg Med Chem Lett 19: 2346-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.029
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM19130
PNG
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
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n/an/a 16n/an/an/an/an/an/a



R&D Sigma-Tau SpA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC5


Bioorg Med Chem Lett 19: 2346-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.029
More data for this
Ligand-Target Pair
Histone Deacetylase 10 (HDAC10)


(Homo sapiens (Human))
BDBM19130
PNG
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
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n/an/a 20n/an/an/an/an/an/a



R&D Sigma-Tau SpA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC10


Bioorg Med Chem Lett 19: 2346-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.029
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM19130
PNG
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
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n/an/a 22n/an/an/an/an/an/a



R&D Sigma-Tau SpA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC7


Bioorg Med Chem Lett 19: 2346-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.029
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 2


(Homo sapiens (Human))
BDBM19130
PNG
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
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n/an/a 23n/an/an/an/an/an/a



R&D Sigma-Tau SpA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC2


Bioorg Med Chem Lett 19: 2346-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.029
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM19130
PNG
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
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n/an/a 38n/an/an/an/an/an/a



R&D Sigma-Tau SpA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC9


Bioorg Med Chem Lett 19: 2346-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.029
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50278220
PNG
(CHEMBL471042 | N-hydroxy-3-(4-((4-nitrobenzyloxyim...)
Show SMILES ONC(=O)\C=C\c1ccc(\C=N\OCc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C17H15N3O5/c21-17(19-22)10-7-13-1-3-14(4-2-13)11-18-25-12-15-5-8-16(9-6-15)20(23)24/h1-11,22H,12H2,(H,19,21)/b10-7+,18-11+
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n/an/a 70n/an/an/an/an/an/a



R&D Sigma-Tau SpA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC8


Bioorg Med Chem Lett 19: 2346-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.029
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM19130
PNG
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
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n/an/a 90n/an/an/an/an/an/a



R&D Sigma-Tau SpA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC8


Bioorg Med Chem Lett 19: 2346-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.029
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50278221
PNG
(CHEMBL471043 | methyl 4-((4-(3-(hydroxyamino)-3-ox...)
Show SMILES COC(=O)c1ccc(CO\N=C\c2ccc(\C=C\C(=O)NO)cc2)cc1
Show InChI InChI=1S/C19H18N2O5/c1-25-19(23)17-9-6-16(7-10-17)13-26-20-12-15-4-2-14(3-5-15)8-11-18(22)21-24/h2-12,24H,13H2,1H3,(H,21,22)/b11-8+,20-12+
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n/an/a 94n/an/an/an/an/an/a



R&D Sigma-Tau SpA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6


Bioorg Med Chem Lett 19: 2346-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.029
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50278220
PNG
(CHEMBL471042 | N-hydroxy-3-(4-((4-nitrobenzyloxyim...)
Show SMILES ONC(=O)\C=C\c1ccc(\C=N\OCc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C17H15N3O5/c21-17(19-22)10-7-13-1-3-14(4-2-13)11-18-25-12-15-5-8-16(9-6-15)20(23)24/h1-11,22H,12H2,(H,19,21)/b10-7+,18-11+
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n/an/a 124n/an/an/an/an/an/a



R&D Sigma-Tau SpA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6


Bioorg Med Chem Lett 19: 2346-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.029
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50278344
PNG
(CHEMBL470843 | N-hydroxy-3-(4-(5-(morpholinomethyl...)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)-c1cc(CN2CCOCC2)on1
Show InChI InChI=1S/C17H19N3O4/c21-17(18-22)6-3-13-1-4-14(5-2-13)16-11-15(24-19-16)12-20-7-9-23-10-8-20/h1-6,11,22H,7-10,12H2,(H,18,21)/b6-3+
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n/an/a 127n/an/an/an/an/an/a



R&D Sigma-Tau SpA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC8


Bioorg Med Chem Lett 19: 2346-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.029
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50278220
PNG
(CHEMBL471042 | N-hydroxy-3-(4-((4-nitrobenzyloxyim...)
Show SMILES ONC(=O)\C=C\c1ccc(\C=N\OCc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C17H15N3O5/c21-17(19-22)10-7-13-1-3-14(4-2-13)11-18-25-12-15-5-8-16(9-6-15)20(23)24/h1-11,22H,12H2,(H,19,21)/b10-7+,18-11+
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n/an/a 160n/an/an/an/an/an/a



R&D Sigma-Tau SpA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC3


Bioorg Med Chem Lett 19: 2346-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.029
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50278344
PNG
(CHEMBL470843 | N-hydroxy-3-(4-(5-(morpholinomethyl...)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)-c1cc(CN2CCOCC2)on1
Show InChI InChI=1S/C17H19N3O4/c21-17(18-22)6-3-13-1-4-14(5-2-13)16-11-15(24-19-16)12-20-7-9-23-10-8-20/h1-6,11,22H,7-10,12H2,(H,18,21)/b6-3+
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n/an/a 175n/an/an/an/an/an/a



R&D Sigma-Tau SpA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6


Bioorg Med Chem Lett 19: 2346-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.029
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50278222
PNG
(CHEMBL472631 | N-hydroxy-3-(4-((2-morpholinoethoxy...)
Show SMILES ONC(=O)\C=C\c1ccc(\C=N\OCCN2CCOCC2)cc1
Show InChI InChI=1S/C16H21N3O4/c20-16(18-21)6-5-14-1-3-15(4-2-14)13-17-23-12-9-19-7-10-22-11-8-19/h1-6,13,21H,7-12H2,(H,18,20)/b6-5+,17-13+
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n/an/a 235n/an/an/an/an/an/a



R&D Sigma-Tau SpA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC8


Bioorg Med Chem Lett 19: 2346-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.029
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50278222
PNG
(CHEMBL472631 | N-hydroxy-3-(4-((2-morpholinoethoxy...)
Show SMILES ONC(=O)\C=C\c1ccc(\C=N\OCCN2CCOCC2)cc1
Show InChI InChI=1S/C16H21N3O4/c20-16(18-21)6-5-14-1-3-15(4-2-14)13-17-23-12-9-19-7-10-22-11-8-19/h1-6,13,21H,7-12H2,(H,18,20)/b6-5+,17-13+
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n/an/a 303n/an/an/an/an/an/a



R&D Sigma-Tau SpA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6


Bioorg Med Chem Lett 19: 2346-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.029
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50278221
PNG
(CHEMBL471043 | methyl 4-((4-(3-(hydroxyamino)-3-ox...)
Show SMILES COC(=O)c1ccc(CO\N=C\c2ccc(\C=C\C(=O)NO)cc2)cc1
Show InChI InChI=1S/C19H18N2O5/c1-25-19(23)17-9-6-16(7-10-17)13-26-20-12-15-4-2-14(3-5-15)8-11-18(22)21-24/h2-12,24H,13H2,1H3,(H,21,22)/b11-8+,20-12+
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n/an/a 603n/an/an/an/an/an/a



R&D Sigma-Tau SpA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC8


Bioorg Med Chem Lett 19: 2346-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.029
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50278221
PNG
(CHEMBL471043 | methyl 4-((4-(3-(hydroxyamino)-3-ox...)
Show SMILES COC(=O)c1ccc(CO\N=C\c2ccc(\C=C\C(=O)NO)cc2)cc1
Show InChI InChI=1S/C19H18N2O5/c1-25-19(23)17-9-6-16(7-10-17)13-26-20-12-15-4-2-14(3-5-15)8-11-18(22)21-24/h2-12,24H,13H2,1H3,(H,21,22)/b11-8+,20-12+
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n/an/a 659n/an/an/an/an/an/a



R&D Sigma-Tau SpA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC3


Bioorg Med Chem Lett 19: 2346-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.029
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50278219
PNG
(CHEMBL471041 | N-hydroxy-3-(4-((perfluorobenzyloxy...)
Show SMILES ONC(=O)\C=C\c1ccc(\C=N\OCc2c(F)c(F)c(F)c(F)c2F)cc1
Show InChI InChI=1S/C17H11F5N2O3/c18-13-11(14(19)16(21)17(22)15(13)20)8-27-23-7-10-3-1-9(2-4-10)5-6-12(25)24-26/h1-7,26H,8H2,(H,24,25)/b6-5+,23-7+
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n/an/a 661n/an/an/an/an/an/a



R&D Sigma-Tau SpA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6


Bioorg Med Chem Lett 19: 2346-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.029
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50278220
PNG
(CHEMBL471042 | N-hydroxy-3-(4-((4-nitrobenzyloxyim...)
Show SMILES ONC(=O)\C=C\c1ccc(\C=N\OCc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C17H15N3O5/c21-17(19-22)10-7-13-1-3-14(4-2-13)11-18-25-12-15-5-8-16(9-6-15)20(23)24/h1-11,22H,12H2,(H,19,21)/b10-7+,18-11+
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n/an/a 790n/an/an/an/an/an/a



R&D Sigma-Tau SpA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1


Bioorg Med Chem Lett 19: 2346-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.029
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50278220
PNG
(CHEMBL471042 | N-hydroxy-3-(4-((4-nitrobenzyloxyim...)
Show SMILES ONC(=O)\C=C\c1ccc(\C=N\OCc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C17H15N3O5/c21-17(19-22)10-7-13-1-3-14(4-2-13)11-18-25-12-15-5-8-16(9-6-15)20(23)24/h1-11,22H,12H2,(H,19,21)/b10-7+,18-11+
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n/an/a 790n/an/an/an/an/an/a



R&D Sigma-Tau SpA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC11


Bioorg Med Chem Lett 19: 2346-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.029
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50278220
PNG
(CHEMBL471042 | N-hydroxy-3-(4-((4-nitrobenzyloxyim...)
Show SMILES ONC(=O)\C=C\c1ccc(\C=N\OCc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C17H15N3O5/c21-17(19-22)10-7-13-1-3-14(4-2-13)11-18-25-12-15-5-8-16(9-6-15)20(23)24/h1-11,22H,12H2,(H,19,21)/b10-7+,18-11+
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n/an/a 1.16E+3n/an/an/an/an/an/a



R&D Sigma-Tau SpA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC5


Bioorg Med Chem Lett 19: 2346-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.029
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50278219
PNG
(CHEMBL471041 | N-hydroxy-3-(4-((perfluorobenzyloxy...)
Show SMILES ONC(=O)\C=C\c1ccc(\C=N\OCc2c(F)c(F)c(F)c(F)c2F)cc1
Show InChI InChI=1S/C17H11F5N2O3/c18-13-11(14(19)16(21)17(22)15(13)20)8-27-23-7-10-3-1-9(2-4-10)5-6-12(25)24-26/h1-7,26H,8H2,(H,24,25)/b6-5+,23-7+
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n/an/a 1.29E+3n/an/an/an/an/an/a



R&D Sigma-Tau SpA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC8


Bioorg Med Chem Lett 19: 2346-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.029
More data for this
Ligand-Target Pair
Histone Deacetylase 10 (HDAC10)


(Homo sapiens (Human))
BDBM50278220
PNG
(CHEMBL471042 | N-hydroxy-3-(4-((4-nitrobenzyloxyim...)
Show SMILES ONC(=O)\C=C\c1ccc(\C=N\OCc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C17H15N3O5/c21-17(19-22)10-7-13-1-3-14(4-2-13)11-18-25-12-15-5-8-16(9-6-15)20(23)24/h1-11,22H,12H2,(H,19,21)/b10-7+,18-11+
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n/an/a 1.58E+3n/an/an/an/an/an/a



R&D Sigma-Tau SpA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC10


Bioorg Med Chem Lett 19: 2346-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.029
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50278221
PNG
(CHEMBL471043 | methyl 4-((4-(3-(hydroxyamino)-3-ox...)
Show SMILES COC(=O)c1ccc(CO\N=C\c2ccc(\C=C\C(=O)NO)cc2)cc1
Show InChI InChI=1S/C19H18N2O5/c1-25-19(23)17-9-6-16(7-10-17)13-26-20-12-15-4-2-14(3-5-15)8-11-18(22)21-24/h2-12,24H,13H2,1H3,(H,21,22)/b11-8+,20-12+
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n/an/a 1.82E+3n/an/an/an/an/an/a



R&D Sigma-Tau SpA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1


Bioorg Med Chem Lett 19: 2346-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.029
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50278220
PNG
(CHEMBL471042 | N-hydroxy-3-(4-((4-nitrobenzyloxyim...)
Show SMILES ONC(=O)\C=C\c1ccc(\C=N\OCc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C17H15N3O5/c21-17(19-22)10-7-13-1-3-14(4-2-13)11-18-25-12-15-5-8-16(9-6-15)20(23)24/h1-11,22H,12H2,(H,19,21)/b10-7+,18-11+
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n/an/a 2.04E+3n/an/an/an/an/an/a



R&D Sigma-Tau SpA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC4


Bioorg Med Chem Lett 19: 2346-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.029
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50278220
PNG
(CHEMBL471042 | N-hydroxy-3-(4-((4-nitrobenzyloxyim...)
Show SMILES ONC(=O)\C=C\c1ccc(\C=N\OCc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C17H15N3O5/c21-17(19-22)10-7-13-1-3-14(4-2-13)11-18-25-12-15-5-8-16(9-6-15)20(23)24/h1-11,22H,12H2,(H,19,21)/b10-7+,18-11+
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n/an/a 2.30E+3n/an/an/an/an/an/a



R&D Sigma-Tau SpA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC7


Bioorg Med Chem Lett 19: 2346-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.029
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50278220
PNG
(CHEMBL471042 | N-hydroxy-3-(4-((4-nitrobenzyloxyim...)
Show SMILES ONC(=O)\C=C\c1ccc(\C=N\OCc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C17H15N3O5/c21-17(19-22)10-7-13-1-3-14(4-2-13)11-18-25-12-15-5-8-16(9-6-15)20(23)24/h1-11,22H,12H2,(H,19,21)/b10-7+,18-11+
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n/an/a 2.47E+3n/an/an/an/an/an/a



R&D Sigma-Tau SpA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC9


Bioorg Med Chem Lett 19: 2346-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.029
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50278220
PNG
(CHEMBL471042 | N-hydroxy-3-(4-((4-nitrobenzyloxyim...)
Show SMILES ONC(=O)\C=C\c1ccc(\C=N\OCc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C17H15N3O5/c21-17(19-22)10-7-13-1-3-14(4-2-13)11-18-25-12-15-5-8-16(9-6-15)20(23)24/h1-11,22H,12H2,(H,19,21)/b10-7+,18-11+
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n/an/a 2.67E+3n/an/an/an/an/an/a



R&D Sigma-Tau SpA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC2


Bioorg Med Chem Lett 19: 2346-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.029
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50278219
PNG
(CHEMBL471041 | N-hydroxy-3-(4-((perfluorobenzyloxy...)
Show SMILES ONC(=O)\C=C\c1ccc(\C=N\OCc2c(F)c(F)c(F)c(F)c2F)cc1
Show InChI InChI=1S/C17H11F5N2O3/c18-13-11(14(19)16(21)17(22)15(13)20)8-27-23-7-10-3-1-9(2-4-10)5-6-12(25)24-26/h1-7,26H,8H2,(H,24,25)/b6-5+,23-7+
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n/an/a 2.80E+3n/an/an/an/an/an/a



R&D Sigma-Tau SpA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC3


Bioorg Med Chem Lett 19: 2346-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.029
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50278222
PNG
(CHEMBL472631 | N-hydroxy-3-(4-((2-morpholinoethoxy...)
Show SMILES ONC(=O)\C=C\c1ccc(\C=N\OCCN2CCOCC2)cc1
Show InChI InChI=1S/C16H21N3O4/c20-16(18-21)6-5-14-1-3-15(4-2-14)13-17-23-12-9-19-7-10-22-11-8-19/h1-6,13,21H,7-12H2,(H,18,20)/b6-5+,17-13+
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n/an/a 3.06E+3n/an/an/an/an/an/a



R&D Sigma-Tau SpA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1


Bioorg Med Chem Lett 19: 2346-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.029
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50278222
PNG
(CHEMBL472631 | N-hydroxy-3-(4-((2-morpholinoethoxy...)
Show SMILES ONC(=O)\C=C\c1ccc(\C=N\OCCN2CCOCC2)cc1
Show InChI InChI=1S/C16H21N3O4/c20-16(18-21)6-5-14-1-3-15(4-2-14)13-17-23-12-9-19-7-10-22-11-8-19/h1-6,13,21H,7-12H2,(H,18,20)/b6-5+,17-13+
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n/an/a 3.06E+3n/an/an/an/an/an/a



R&D Sigma-Tau SpA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC11


Bioorg Med Chem Lett 19: 2346-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.029
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50278344
PNG
(CHEMBL470843 | N-hydroxy-3-(4-(5-(morpholinomethyl...)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)-c1cc(CN2CCOCC2)on1
Show InChI InChI=1S/C17H19N3O4/c21-17(18-22)6-3-13-1-4-14(5-2-13)16-11-15(24-19-16)12-20-7-9-23-10-8-20/h1-6,11,22H,7-10,12H2,(H,18,21)/b6-3+
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n/an/a 3.14E+3n/an/an/an/an/an/a



R&D Sigma-Tau SpA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC3


Bioorg Med Chem Lett 19: 2346-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.029
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50278221
PNG
(CHEMBL471043 | methyl 4-((4-(3-(hydroxyamino)-3-ox...)
Show SMILES COC(=O)c1ccc(CO\N=C\c2ccc(\C=C\C(=O)NO)cc2)cc1
Show InChI InChI=1S/C19H18N2O5/c1-25-19(23)17-9-6-16(7-10-17)13-26-20-12-15-4-2-14(3-5-15)8-11-18(22)21-24/h2-12,24H,13H2,1H3,(H,21,22)/b11-8+,20-12+
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n/an/a 3.67E+3n/an/an/an/an/an/a



R&D Sigma-Tau SpA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC5


Bioorg Med Chem Lett 19: 2346-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.029
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50278222
PNG
(CHEMBL472631 | N-hydroxy-3-(4-((2-morpholinoethoxy...)
Show SMILES ONC(=O)\C=C\c1ccc(\C=N\OCCN2CCOCC2)cc1
Show InChI InChI=1S/C16H21N3O4/c20-16(18-21)6-5-14-1-3-15(4-2-14)13-17-23-12-9-19-7-10-22-11-8-19/h1-6,13,21H,7-12H2,(H,18,20)/b6-5+,17-13+
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n/an/a 4.08E+3n/an/an/an/an/an/a



R&D Sigma-Tau SpA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC3


Bioorg Med Chem Lett 19: 2346-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.029
More data for this
Ligand-Target Pair
Histone Deacetylase 10 (HDAC10)


(Homo sapiens (Human))
BDBM50278221
PNG
(CHEMBL471043 | methyl 4-((4-(3-(hydroxyamino)-3-ox...)
Show SMILES COC(=O)c1ccc(CO\N=C\c2ccc(\C=C\C(=O)NO)cc2)cc1
Show InChI InChI=1S/C19H18N2O5/c1-25-19(23)17-9-6-16(7-10-17)13-26-20-12-15-4-2-14(3-5-15)8-11-18(22)21-24/h2-12,24H,13H2,1H3,(H,21,22)/b11-8+,20-12+
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n/an/a 5.43E+3n/an/an/an/an/an/a



R&D Sigma-Tau SpA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC10


Bioorg Med Chem Lett 19: 2346-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.029
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50278219
PNG
(CHEMBL471041 | N-hydroxy-3-(4-((perfluorobenzyloxy...)
Show SMILES ONC(=O)\C=C\c1ccc(\C=N\OCc2c(F)c(F)c(F)c(F)c2F)cc1
Show InChI InChI=1S/C17H11F5N2O3/c18-13-11(14(19)16(21)17(22)15(13)20)8-27-23-7-10-3-1-9(2-4-10)5-6-12(25)24-26/h1-7,26H,8H2,(H,24,25)/b6-5+,23-7+
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n/an/a 5.48E+3n/an/an/an/an/an/a



R&D Sigma-Tau SpA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC11


Bioorg Med Chem Lett 19: 2346-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.029
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50278219
PNG
(CHEMBL471041 | N-hydroxy-3-(4-((perfluorobenzyloxy...)
Show SMILES ONC(=O)\C=C\c1ccc(\C=N\OCc2c(F)c(F)c(F)c(F)c2F)cc1
Show InChI InChI=1S/C17H11F5N2O3/c18-13-11(14(19)16(21)17(22)15(13)20)8-27-23-7-10-3-1-9(2-4-10)5-6-12(25)24-26/h1-7,26H,8H2,(H,24,25)/b6-5+,23-7+
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n/an/a 5.48E+3n/an/an/an/an/an/a



R&D Sigma-Tau SpA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1


Bioorg Med Chem Lett 19: 2346-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.029
More data for this
Ligand-Target Pair
Histone Deacetylase 10 (HDAC10)


(Homo sapiens (Human))
BDBM50278344
PNG
(CHEMBL470843 | N-hydroxy-3-(4-(5-(morpholinomethyl...)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)-c1cc(CN2CCOCC2)on1
Show InChI InChI=1S/C17H19N3O4/c21-17(18-22)6-3-13-1-4-14(5-2-13)16-11-15(24-19-16)12-20-7-9-23-10-8-20/h1-6,11,22H,7-10,12H2,(H,18,21)/b6-3+
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n/an/a 6.10E+3n/an/an/an/an/an/a



R&D Sigma-Tau SpA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC10


Bioorg Med Chem Lett 19: 2346-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.029
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50278344
PNG
(CHEMBL470843 | N-hydroxy-3-(4-(5-(morpholinomethyl...)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)-c1cc(CN2CCOCC2)on1
Show InChI InChI=1S/C17H19N3O4/c21-17(18-22)6-3-13-1-4-14(5-2-13)16-11-15(24-19-16)12-20-7-9-23-10-8-20/h1-6,11,22H,7-10,12H2,(H,18,21)/b6-3+
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n/an/a 6.26E+3n/an/an/an/an/an/a



R&D Sigma-Tau SpA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC11


Bioorg Med Chem Lett 19: 2346-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.029
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50278344
PNG
(CHEMBL470843 | N-hydroxy-3-(4-(5-(morpholinomethyl...)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)-c1cc(CN2CCOCC2)on1
Show InChI InChI=1S/C17H19N3O4/c21-17(18-22)6-3-13-1-4-14(5-2-13)16-11-15(24-19-16)12-20-7-9-23-10-8-20/h1-6,11,22H,7-10,12H2,(H,18,21)/b6-3+
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n/an/a 6.26E+3n/an/an/an/an/an/a



R&D Sigma-Tau SpA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1


Bioorg Med Chem Lett 19: 2346-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.029
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50278221
PNG
(CHEMBL471043 | methyl 4-((4-(3-(hydroxyamino)-3-ox...)
Show SMILES COC(=O)c1ccc(CO\N=C\c2ccc(\C=C\C(=O)NO)cc2)cc1
Show InChI InChI=1S/C19H18N2O5/c1-25-19(23)17-9-6-16(7-10-17)13-26-20-12-15-4-2-14(3-5-15)8-11-18(22)21-24/h2-12,24H,13H2,1H3,(H,21,22)/b11-8+,20-12+
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n/an/a 6.43E+3n/an/an/an/an/an/a



R&D Sigma-Tau SpA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC9


Bioorg Med Chem Lett 19: 2346-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.029
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50278219
PNG
(CHEMBL471041 | N-hydroxy-3-(4-((perfluorobenzyloxy...)
Show SMILES ONC(=O)\C=C\c1ccc(\C=N\OCc2c(F)c(F)c(F)c(F)c2F)cc1
Show InChI InChI=1S/C17H11F5N2O3/c18-13-11(14(19)16(21)17(22)15(13)20)8-27-23-7-10-3-1-9(2-4-10)5-6-12(25)24-26/h1-7,26H,8H2,(H,24,25)/b6-5+,23-7+
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n/an/a 7.20E+3n/an/an/an/an/an/a



R&D Sigma-Tau SpA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC5


Bioorg Med Chem Lett 19: 2346-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.029
More data for this
Ligand-Target Pair
Histone Deacetylase 10 (HDAC10)


(Homo sapiens (Human))
BDBM50278219
PNG
(CHEMBL471041 | N-hydroxy-3-(4-((perfluorobenzyloxy...)
Show SMILES ONC(=O)\C=C\c1ccc(\C=N\OCc2c(F)c(F)c(F)c(F)c2F)cc1
Show InChI InChI=1S/C17H11F5N2O3/c18-13-11(14(19)16(21)17(22)15(13)20)8-27-23-7-10-3-1-9(2-4-10)5-6-12(25)24-26/h1-7,26H,8H2,(H,24,25)/b6-5+,23-7+
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n/an/a 7.36E+3n/an/an/an/an/an/a



R&D Sigma-Tau SpA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC10


Bioorg Med Chem Lett 19: 2346-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.029
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50278222
PNG
(CHEMBL472631 | N-hydroxy-3-(4-((2-morpholinoethoxy...)
Show SMILES ONC(=O)\C=C\c1ccc(\C=N\OCCN2CCOCC2)cc1
Show InChI InChI=1S/C16H21N3O4/c20-16(18-21)6-5-14-1-3-15(4-2-14)13-17-23-12-9-19-7-10-22-11-8-19/h1-6,13,21H,7-12H2,(H,18,20)/b6-5+,17-13+
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n/an/a 7.36E+3n/an/an/an/an/an/a



R&D Sigma-Tau SpA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC5


Bioorg Med Chem Lett 19: 2346-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.029
More data for this
Ligand-Target Pair
Histone Deacetylase 10 (HDAC10)


(Homo sapiens (Human))
BDBM50278222
PNG
(CHEMBL472631 | N-hydroxy-3-(4-((2-morpholinoethoxy...)
Show SMILES ONC(=O)\C=C\c1ccc(\C=N\OCCN2CCOCC2)cc1
Show InChI InChI=1S/C16H21N3O4/c20-16(18-21)6-5-14-1-3-15(4-2-14)13-17-23-12-9-19-7-10-22-11-8-19/h1-6,13,21H,7-12H2,(H,18,20)/b6-5+,17-13+
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n/an/a 7.84E+3n/an/an/an/an/an/a



R&D Sigma-Tau SpA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC10


Bioorg Med Chem Lett 19: 2346-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.029
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50278221
PNG
(CHEMBL471043 | methyl 4-((4-(3-(hydroxyamino)-3-ox...)
Show SMILES COC(=O)c1ccc(CO\N=C\c2ccc(\C=C\C(=O)NO)cc2)cc1
Show InChI InChI=1S/C19H18N2O5/c1-25-19(23)17-9-6-16(7-10-17)13-26-20-12-15-4-2-14(3-5-15)8-11-18(22)21-24/h2-12,24H,13H2,1H3,(H,21,22)/b11-8+,20-12+
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n/an/a 1.08E+4n/an/an/an/an/an/a



R&D Sigma-Tau SpA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC11


Bioorg Med Chem Lett 19: 2346-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.029
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50278344
PNG
(CHEMBL470843 | N-hydroxy-3-(4-(5-(morpholinomethyl...)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)-c1cc(CN2CCOCC2)on1
Show InChI InChI=1S/C17H19N3O4/c21-17(18-22)6-3-13-1-4-14(5-2-13)16-11-15(24-19-16)12-20-7-9-23-10-8-20/h1-6,11,22H,7-10,12H2,(H,18,21)/b6-3+
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n/an/a 1.08E+4n/an/an/an/an/an/a



R&D Sigma-Tau SpA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC5


Bioorg Med Chem Lett 19: 2346-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.029
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50278219
PNG
(CHEMBL471041 | N-hydroxy-3-(4-((perfluorobenzyloxy...)
Show SMILES ONC(=O)\C=C\c1ccc(\C=N\OCc2c(F)c(F)c(F)c(F)c2F)cc1
Show InChI InChI=1S/C17H11F5N2O3/c18-13-11(14(19)16(21)17(22)15(13)20)8-27-23-7-10-3-1-9(2-4-10)5-6-12(25)24-26/h1-7,26H,8H2,(H,24,25)/b6-5+,23-7+
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n/an/a 1.10E+4n/an/an/an/an/an/a



R&D Sigma-Tau SpA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC2


Bioorg Med Chem Lett 19: 2346-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.029
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50278344
PNG
(CHEMBL470843 | N-hydroxy-3-(4-(5-(morpholinomethyl...)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)-c1cc(CN2CCOCC2)on1
Show InChI InChI=1S/C17H19N3O4/c21-17(18-22)6-3-13-1-4-14(5-2-13)16-11-15(24-19-16)12-20-7-9-23-10-8-20/h1-6,11,22H,7-10,12H2,(H,18,21)/b6-3+
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n/an/a 1.12E+4n/an/an/an/an/an/a



R&D Sigma-Tau SpA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC9


Bioorg Med Chem Lett 19: 2346-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.029
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50278344
PNG
(CHEMBL470843 | N-hydroxy-3-(4-(5-(morpholinomethyl...)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)-c1cc(CN2CCOCC2)on1
Show InChI InChI=1S/C17H19N3O4/c21-17(18-22)6-3-13-1-4-14(5-2-13)16-11-15(24-19-16)12-20-7-9-23-10-8-20/h1-6,11,22H,7-10,12H2,(H,18,21)/b6-3+
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n/an/a 1.19E+4n/an/an/an/an/an/a



R&D Sigma-Tau SpA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC4


Bioorg Med Chem Lett 19: 2346-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.029
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50278219
PNG
(CHEMBL471041 | N-hydroxy-3-(4-((perfluorobenzyloxy...)
Show SMILES ONC(=O)\C=C\c1ccc(\C=N\OCc2c(F)c(F)c(F)c(F)c2F)cc1
Show InChI InChI=1S/C17H11F5N2O3/c18-13-11(14(19)16(21)17(22)15(13)20)8-27-23-7-10-3-1-9(2-4-10)5-6-12(25)24-26/h1-7,26H,8H2,(H,24,25)/b6-5+,23-7+
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n/an/a 1.20E+4n/an/an/an/an/an/a



R&D Sigma-Tau SpA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC9


Bioorg Med Chem Lett 19: 2346-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.029
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50278221
PNG
(CHEMBL471043 | methyl 4-((4-(3-(hydroxyamino)-3-ox...)
Show SMILES COC(=O)c1ccc(CO\N=C\c2ccc(\C=C\C(=O)NO)cc2)cc1
Show InChI InChI=1S/C19H18N2O5/c1-25-19(23)17-9-6-16(7-10-17)13-26-20-12-15-4-2-14(3-5-15)8-11-18(22)21-24/h2-12,24H,13H2,1H3,(H,21,22)/b11-8+,20-12+
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n/an/a 1.29E+4n/an/an/an/an/an/a



R&D Sigma-Tau SpA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC4


Bioorg Med Chem Lett 19: 2346-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.029
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50278222
PNG
(CHEMBL472631 | N-hydroxy-3-(4-((2-morpholinoethoxy...)
Show SMILES ONC(=O)\C=C\c1ccc(\C=N\OCCN2CCOCC2)cc1
Show InChI InChI=1S/C16H21N3O4/c20-16(18-21)6-5-14-1-3-15(4-2-14)13-17-23-12-9-19-7-10-22-11-8-19/h1-6,13,21H,7-12H2,(H,18,20)/b6-5+,17-13+
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n/an/a 1.31E+4n/an/an/an/an/an/a



R&D Sigma-Tau SpA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC9


Bioorg Med Chem Lett 19: 2346-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.029
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50278344
PNG
(CHEMBL470843 | N-hydroxy-3-(4-(5-(morpholinomethyl...)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)-c1cc(CN2CCOCC2)on1
Show InChI InChI=1S/C17H19N3O4/c21-17(18-22)6-3-13-1-4-14(5-2-13)16-11-15(24-19-16)12-20-7-9-23-10-8-20/h1-6,11,22H,7-10,12H2,(H,18,21)/b6-3+
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n/an/a 1.32E+4n/an/an/an/an/an/a



R&D Sigma-Tau SpA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC2


Bioorg Med Chem Lett 19: 2346-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.029
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50278221
PNG
(CHEMBL471043 | methyl 4-((4-(3-(hydroxyamino)-3-ox...)
Show SMILES COC(=O)c1ccc(CO\N=C\c2ccc(\C=C\C(=O)NO)cc2)cc1
Show InChI InChI=1S/C19H18N2O5/c1-25-19(23)17-9-6-16(7-10-17)13-26-20-12-15-4-2-14(3-5-15)8-11-18(22)21-24/h2-12,24H,13H2,1H3,(H,21,22)/b11-8+,20-12+
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n/an/a 1.58E+4n/an/an/an/an/an/a



R&D Sigma-Tau SpA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC2


Bioorg Med Chem Lett 19: 2346-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.029
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50278222
PNG
(CHEMBL472631 | N-hydroxy-3-(4-((2-morpholinoethoxy...)
Show SMILES ONC(=O)\C=C\c1ccc(\C=N\OCCN2CCOCC2)cc1
Show InChI InChI=1S/C16H21N3O4/c20-16(18-21)6-5-14-1-3-15(4-2-14)13-17-23-12-9-19-7-10-22-11-8-19/h1-6,13,21H,7-12H2,(H,18,20)/b6-5+,17-13+
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n/an/a 1.61E+4n/an/an/an/an/an/a



R&D Sigma-Tau SpA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC4


Bioorg Med Chem Lett 19: 2346-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.029
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50278219
PNG
(CHEMBL471041 | N-hydroxy-3-(4-((perfluorobenzyloxy...)
Show SMILES ONC(=O)\C=C\c1ccc(\C=N\OCc2c(F)c(F)c(F)c(F)c2F)cc1
Show InChI InChI=1S/C17H11F5N2O3/c18-13-11(14(19)16(21)17(22)15(13)20)8-27-23-7-10-3-1-9(2-4-10)5-6-12(25)24-26/h1-7,26H,8H2,(H,24,25)/b6-5+,23-7+
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n/an/a 2.00E+4n/an/an/an/an/an/a



R&D Sigma-Tau SpA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC7


Bioorg Med Chem Lett 19: 2346-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.029
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50278344
PNG
(CHEMBL470843 | N-hydroxy-3-(4-(5-(morpholinomethyl...)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)-c1cc(CN2CCOCC2)on1
Show InChI InChI=1S/C17H19N3O4/c21-17(18-22)6-3-13-1-4-14(5-2-13)16-11-15(24-19-16)12-20-7-9-23-10-8-20/h1-6,11,22H,7-10,12H2,(H,18,21)/b6-3+
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n/an/a 2.23E+4n/an/an/an/an/an/a



R&D Sigma-Tau SpA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC7


Bioorg Med Chem Lett 19: 2346-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.029
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50278222
PNG
(CHEMBL472631 | N-hydroxy-3-(4-((2-morpholinoethoxy...)
Show SMILES ONC(=O)\C=C\c1ccc(\C=N\OCCN2CCOCC2)cc1
Show InChI InChI=1S/C16H21N3O4/c20-16(18-21)6-5-14-1-3-15(4-2-14)13-17-23-12-9-19-7-10-22-11-8-19/h1-6,13,21H,7-12H2,(H,18,20)/b6-5+,17-13+
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n/an/a 2.77E+4n/an/an/an/an/an/a



R&D Sigma-Tau SpA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC2


Bioorg Med Chem Lett 19: 2346-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.029
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50278222
PNG
(CHEMBL472631 | N-hydroxy-3-(4-((2-morpholinoethoxy...)
Show SMILES ONC(=O)\C=C\c1ccc(\C=N\OCCN2CCOCC2)cc1
Show InChI InChI=1S/C16H21N3O4/c20-16(18-21)6-5-14-1-3-15(4-2-14)13-17-23-12-9-19-7-10-22-11-8-19/h1-6,13,21H,7-12H2,(H,18,20)/b6-5+,17-13+
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n/an/a 3.37E+4n/an/an/an/an/an/a



R&D Sigma-Tau SpA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC7


Bioorg Med Chem Lett 19: 2346-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.029
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50278221
PNG
(CHEMBL471043 | methyl 4-((4-(3-(hydroxyamino)-3-ox...)
Show SMILES COC(=O)c1ccc(CO\N=C\c2ccc(\C=C\C(=O)NO)cc2)cc1
Show InChI InChI=1S/C19H18N2O5/c1-25-19(23)17-9-6-16(7-10-17)13-26-20-12-15-4-2-14(3-5-15)8-11-18(22)21-24/h2-12,24H,13H2,1H3,(H,21,22)/b11-8+,20-12+
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n/an/a 3.63E+4n/an/an/an/an/an/a



R&D Sigma-Tau SpA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC7


Bioorg Med Chem Lett 19: 2346-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.029
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50278219
PNG
(CHEMBL471041 | N-hydroxy-3-(4-((perfluorobenzyloxy...)
Show SMILES ONC(=O)\C=C\c1ccc(\C=N\OCc2c(F)c(F)c(F)c(F)c2F)cc1
Show InChI InChI=1S/C17H11F5N2O3/c18-13-11(14(19)16(21)17(22)15(13)20)8-27-23-7-10-3-1-9(2-4-10)5-6-12(25)24-26/h1-7,26H,8H2,(H,24,25)/b6-5+,23-7+
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n/an/a 3.88E+4n/an/an/an/an/an/a



R&D Sigma-Tau SpA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC4


Bioorg Med Chem Lett 19: 2346-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.029
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%