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BDBM50278344 CHEMBL470843::N-hydroxy-3-(4-(5-(morpholinomethyl)isoxazol-3-yl)phenyl)acrylamide hydrochloride

SMILES: ONC(=O)\C=C\c1ccc(cc1)-c1cc(CN2CCOCC2)on1

InChI Key: InChIKey=HMZAFAMGNRZJEH-ZZXKWVIFSA-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 = 50278344   
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))
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
BindingDB Entry DOI: 10.7270/Q2154GX2
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
BindingDB Entry DOI: 10.7270/Q2154GX2
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
BindingDB Entry DOI: 10.7270/Q2154GX2
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
BindingDB Entry DOI: 10.7270/Q2154GX2
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
BindingDB Entry DOI: 10.7270/Q2154GX2
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
BindingDB Entry DOI: 10.7270/Q2154GX2
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
BindingDB Entry DOI: 10.7270/Q2154GX2
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
BindingDB Entry DOI: 10.7270/Q2154GX2
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
BindingDB Entry DOI: 10.7270/Q2154GX2
More data for this
Ligand-Target Pair
Histone deacetylase 10


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