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Compile Data Set for Download or QSAR

Found 11 hits of ic50 for monomerid = 50278220   
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 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
BindingDB Entry DOI: 10.7270/Q2154GX2
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
BindingDB Entry DOI: 10.7270/Q2154GX2
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
BindingDB Entry DOI: 10.7270/Q2154GX2
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
BindingDB Entry DOI: 10.7270/Q2154GX2
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
BindingDB Entry DOI: 10.7270/Q2154GX2
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
BindingDB Entry DOI: 10.7270/Q2154GX2
More data for this
Ligand-Target Pair
Polyamine deacetylase 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
BindingDB Entry DOI: 10.7270/Q2154GX2
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
BindingDB Entry DOI: 10.7270/Q2154GX2
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
BindingDB Entry DOI: 10.7270/Q2154GX2
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
BindingDB Entry DOI: 10.7270/Q2154GX2
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
BindingDB Entry DOI: 10.7270/Q2154GX2
More data for this
Ligand-Target Pair