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BDBM50278219 CHEMBL471041::N-hydroxy-3-(4-((perfluorobenzyloxyimino)methyl)phenyl)acrylamide::ST-2986

SMILES: ONC(=O)\C=C\c1ccc(\C=N\OCc2c(F)c(F)c(F)c(F)c2F)cc1

InChI Key: InChIKey=ATRIOAVZXXVRHX-UDVGQSQZSA-N

Data: 11 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50278219   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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
BindingDB Entry DOI: 10.7270/Q2154GX2
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
BindingDB Entry DOI: 10.7270/Q2154GX2
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
BindingDB Entry DOI: 10.7270/Q2154GX2
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
BindingDB Entry DOI: 10.7270/Q2154GX2
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
BindingDB Entry DOI: 10.7270/Q2154GX2
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
BindingDB Entry DOI: 10.7270/Q2154GX2
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
BindingDB Entry DOI: 10.7270/Q2154GX2
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
BindingDB Entry DOI: 10.7270/Q2154GX2
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
BindingDB Entry DOI: 10.7270/Q2154GX2
More data for this
Ligand-Target Pair
Histone deacetylase 10


(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
BindingDB Entry DOI: 10.7270/Q2154GX2
More data for this
Ligand-Target Pair
Cereblon/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
BindingDB Entry DOI: 10.7270/Q2154GX2
More data for this
Ligand-Target Pair