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BDBM50293361 CHEMBL561209::N-Hydroxy-E-3-(4'-methoxybiphenyl-4-yl)-acrylamide

SMILES: COc1ccc(cc1)-c1ccc(\C=C\C(=O)NO)cc1

InChI Key: InChIKey=WKQPXLKFQLGQSM-NYYWCZLTSA-N

Data: 14 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 14 hits for monomerid = 50293361   
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 2


(Homo sapiens (Human))
BDBM50293361
PNG
(CHEMBL561209 | N-Hydroxy-E-3-(4'-methoxybiphenyl-4...)
Show SMILES COc1ccc(cc1)-c1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C16H15NO3/c1-20-15-9-7-14(8-10-15)13-5-2-12(3-6-13)4-11-16(18)17-19/h2-11,19H,1H3,(H,17,18)/b11-4+
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n/an/a 1.16E+3n/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 in human HeLa cells using KI-104 as substrate after 40 mins by fluorescence analysis


Eur J Med Chem 79: 251-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.021
BindingDB Entry DOI: 10.7270/Q2V989KV
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50293361
PNG
(CHEMBL561209 | N-Hydroxy-E-3-(4'-methoxybiphenyl-4...)
Show SMILES COc1ccc(cc1)-c1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C16H15NO3/c1-20-15-9-7-14(8-10-15)13-5-2-12(3-6-13)4-11-16(18)17-19/h2-11,19H,1H3,(H,17,18)/b11-4+
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n/an/a 37n/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 using fluorogenic tetrapeptide RHKKAc as substrate


Eur J Med Chem 79: 251-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.021
BindingDB Entry DOI: 10.7270/Q2V989KV
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50293361
PNG
(CHEMBL561209 | N-Hydroxy-E-3-(4'-methoxybiphenyl-4...)
Show SMILES COc1ccc(cc1)-c1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C16H15NO3/c1-20-15-9-7-14(8-10-15)13-5-2-12(3-6-13)4-11-16(18)17-19/h2-11,19H,1H3,(H,17,18)/b11-4+
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n/an/a 3.90E+4n/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Inhibition of human HDAC9 using fluorogenic tetrapeptide RHKKAc as substrate


Eur J Med Chem 79: 251-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.021
BindingDB Entry DOI: 10.7270/Q2V989KV
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50293361
PNG
(CHEMBL561209 | N-Hydroxy-E-3-(4'-methoxybiphenyl-4...)
Show SMILES COc1ccc(cc1)-c1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C16H15NO3/c1-20-15-9-7-14(8-10-15)13-5-2-12(3-6-13)4-11-16(18)17-19/h2-11,19H,1H3,(H,17,18)/b11-4+
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n/an/a 70n/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Inhibition of human HDAC8 using fluorogenic tetrapeptide RHKKAc as substrate


Eur J Med Chem 79: 251-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.021
BindingDB Entry DOI: 10.7270/Q2V989KV
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50293361
PNG
(CHEMBL561209 | N-Hydroxy-E-3-(4'-methoxybiphenyl-4...)
Show SMILES COc1ccc(cc1)-c1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C16H15NO3/c1-20-15-9-7-14(8-10-15)13-5-2-12(3-6-13)4-11-16(18)17-19/h2-11,19H,1H3,(H,17,18)/b11-4+
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n/an/a 7.30E+4n/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Inhibition of human HDAC11 using fluorogenic tetrapeptide RHKKAc as substrate


Eur J Med Chem 79: 251-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.021
BindingDB Entry DOI: 10.7270/Q2V989KV
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50293361
PNG
(CHEMBL561209 | N-Hydroxy-E-3-(4'-methoxybiphenyl-4...)
Show SMILES COc1ccc(cc1)-c1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C16H15NO3/c1-20-15-9-7-14(8-10-15)13-5-2-12(3-6-13)4-11-16(18)17-19/h2-11,19H,1H3,(H,17,18)/b11-4+
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n/an/a 8.50E+4n/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Inhibition of human HDAC3 complexed with NCOR2 using fluorogenic tetrapeptide RHKKAc as susbtrate


Eur J Med Chem 79: 251-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.021
BindingDB Entry DOI: 10.7270/Q2V989KV
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50293361
PNG
(CHEMBL561209 | N-Hydroxy-E-3-(4'-methoxybiphenyl-4...)
Show SMILES COc1ccc(cc1)-c1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C16H15NO3/c1-20-15-9-7-14(8-10-15)13-5-2-12(3-6-13)4-11-16(18)17-19/h2-11,19H,1H3,(H,17,18)/b11-4+
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n/an/a 1.16E+3n/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 in human HeLa cells


Eur J Med Chem 44: 1900-12 (2009)


Article DOI: 10.1016/j.ejmech.2008.11.005
BindingDB Entry DOI: 10.7270/Q2M045G2
More data for this
Ligand-Target Pair
Histone Deacetylase 10 (HDAC10)


(Homo sapiens (Human))
BDBM50293361
PNG
(CHEMBL561209 | N-Hydroxy-E-3-(4'-methoxybiphenyl-4...)
Show SMILES COc1ccc(cc1)-c1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C16H15NO3/c1-20-15-9-7-14(8-10-15)13-5-2-12(3-6-13)4-11-16(18)17-19/h2-11,19H,1H3,(H,17,18)/b11-4+
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n/an/a 9.10E+4n/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Inhibition of human HDAC10 using fluorogenic tetrapeptide RHKKAc as substrate


Eur J Med Chem 79: 251-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.021
BindingDB Entry DOI: 10.7270/Q2V989KV
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50293361
PNG
(CHEMBL561209 | N-Hydroxy-E-3-(4'-methoxybiphenyl-4...)
Show SMILES COc1ccc(cc1)-c1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C16H15NO3/c1-20-15-9-7-14(8-10-15)13-5-2-12(3-6-13)4-11-16(18)17-19/h2-11,19H,1H3,(H,17,18)/b11-4+
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n/an/a 9.90E+4n/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Inhibition of human HDAC4 using fluorogenic tetrapeptide RHKKAc as substrate


Eur J Med Chem 79: 251-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.021
BindingDB Entry DOI: 10.7270/Q2V989KV
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50293361
PNG
(CHEMBL561209 | N-Hydroxy-E-3-(4'-methoxybiphenyl-4...)
Show SMILES COc1ccc(cc1)-c1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C16H15NO3/c1-20-15-9-7-14(8-10-15)13-5-2-12(3-6-13)4-11-16(18)17-19/h2-11,19H,1H3,(H,17,18)/b11-4+
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n/an/a 2.10E+5n/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Inhibition of human HDAC7 using fluorogenic tetrapeptide RHKKAc as substrate


Eur J Med Chem 79: 251-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.021
BindingDB Entry DOI: 10.7270/Q2V989KV
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50293361
PNG
(CHEMBL561209 | N-Hydroxy-E-3-(4'-methoxybiphenyl-4...)
Show SMILES COc1ccc(cc1)-c1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C16H15NO3/c1-20-15-9-7-14(8-10-15)13-5-2-12(3-6-13)4-11-16(18)17-19/h2-11,19H,1H3,(H,17,18)/b11-4+
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n/an/a 3.00E+4n/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Inhibition of human HDAC5 using fluorogenic tetrapeptide RHKKAc as substrate


Eur J Med Chem 79: 251-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.021
BindingDB Entry DOI: 10.7270/Q2V989KV
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50293361
PNG
(CHEMBL561209 | N-Hydroxy-E-3-(4'-methoxybiphenyl-4...)
Show SMILES COc1ccc(cc1)-c1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C16H15NO3/c1-20-15-9-7-14(8-10-15)13-5-2-12(3-6-13)4-11-16(18)17-19/h2-11,19H,1H3,(H,17,18)/b11-4+
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n/an/a 8.70E+3n/an/an/an/an/an/a



University of Milan

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells using BOC-Ac-Lys-AMC as substrate incubated for 4 hrs by fluorescence assay


Eur J Med Chem 112: 99-105 (2016)


BindingDB Entry DOI: 10.7270/Q2HM5BB0
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50293361
PNG
(CHEMBL561209 | N-Hydroxy-E-3-(4'-methoxybiphenyl-4...)
Show SMILES COc1ccc(cc1)-c1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C16H15NO3/c1-20-15-9-7-14(8-10-15)13-5-2-12(3-6-13)4-11-16(18)17-19/h2-11,19H,1H3,(H,17,18)/b11-4+
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n/an/a 3.26E+4n/an/an/an/an/an/a



University of Milan

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa nuclear extract using BOC-Ac-Lys-AMC as substrate incubated for 90 mins by fluorescence assay


Eur J Med Chem 112: 99-105 (2016)


BindingDB Entry DOI: 10.7270/Q2HM5BB0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50293361
PNG
(CHEMBL561209 | N-Hydroxy-E-3-(4'-methoxybiphenyl-4...)
Show SMILES COc1ccc(cc1)-c1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C16H15NO3/c1-20-15-9-7-14(8-10-15)13-5-2-12(3-6-13)4-11-16(18)17-19/h2-11,19H,1H3,(H,17,18)/b11-4+
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n/an/a 8.55E+3n/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1 using fluorogenic tetrapeptide RHKKAc as substrate


Eur J Med Chem 79: 251-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.021
BindingDB Entry DOI: 10.7270/Q2V989KV
More data for this
Ligand-Target Pair