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Compile Data Set for Download or QSAR

Found 8 hits of ki for monomerid = 50123957   
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))
BDBM50123957
PNG
((E)-5-(3-Benzenesulfonylamino-phenyl)-pent-2-en-4-...)
Show SMILES ONC(=O)\C=C\C#Cc1ccc(NS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C17H14N2O4S/c20-17(18-21)9-5-4-6-14-10-12-15(13-11-14)19-24(22,23)16-7-2-1-3-8-16/h1-3,5,7-13,19,21H,(H,18,20)/b9-5+
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0.100n/an/an/an/an/an/an/an/a



St Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human HDAC8


Bioorg Med Chem 23: 5151-5 (2015)


Article DOI: 10.1016/j.bmc.2014.12.066
BindingDB Entry DOI: 10.7270/Q2B859V9
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50123957
PNG
((E)-5-(3-Benzenesulfonylamino-phenyl)-pent-2-en-4-...)
Show SMILES ONC(=O)\C=C\C#Cc1ccc(NS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C17H14N2O4S/c20-17(18-21)9-5-4-6-14-10-12-15(13-11-14)19-24(22,23)16-7-2-1-3-8-16/h1-3,5,7-13,19,21H,(H,18,20)/b9-5+
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0.100n/an/an/an/an/an/an/an/a



St Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human HDAC2


Bioorg Med Chem 23: 5151-5 (2015)


Article DOI: 10.1016/j.bmc.2014.12.066
BindingDB Entry DOI: 10.7270/Q2B859V9
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50123957
PNG
((E)-5-(3-Benzenesulfonylamino-phenyl)-pent-2-en-4-...)
Show SMILES ONC(=O)\C=C\C#Cc1ccc(NS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C17H14N2O4S/c20-17(18-21)9-5-4-6-14-10-12-15(13-11-14)19-24(22,23)16-7-2-1-3-8-16/h1-3,5,7-13,19,21H,(H,18,20)/b9-5+
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1.30n/an/an/an/an/an/an/an/a



St Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1


Bioorg Med Chem 23: 5151-5 (2015)


Article DOI: 10.1016/j.bmc.2014.12.066
BindingDB Entry DOI: 10.7270/Q2B859V9
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50123957
PNG
((E)-5-(3-Benzenesulfonylamino-phenyl)-pent-2-en-4-...)
Show SMILES ONC(=O)\C=C\C#Cc1ccc(NS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C17H14N2O4S/c20-17(18-21)9-5-4-6-14-10-12-15(13-11-14)19-24(22,23)16-7-2-1-3-8-16/h1-3,5,7-13,19,21H,(H,18,20)/b9-5+
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2.70n/an/an/an/an/an/an/an/a



St Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human HDAC3


Bioorg Med Chem 23: 5151-5 (2015)


Article DOI: 10.1016/j.bmc.2014.12.066
BindingDB Entry DOI: 10.7270/Q2B859V9
More data for this
Ligand-Target Pair
Histone deacetylase 6 [440-798]


(Danio rerio)
BDBM50123957
PNG
((E)-5-(3-Benzenesulfonylamino-phenyl)-pent-2-en-4-...)
Show SMILES ONC(=O)\C=C\C#Cc1ccc(NS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C17H14N2O4S/c20-17(18-21)9-5-4-6-14-10-12-15(13-11-14)19-24(22,23)16-7-2-1-3-8-16/h1-3,5,7-13,19,21H,(H,18,20)/b9-5+
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PubMed
4.30 -47.8 7.5n/an/an/an/an/a25



University of Pennsylvania,



Assay Description
The fluorescence anisotropy assay was performed with fluorescein-labeled SAHA (fl-SAHA, gift of C. Fierke, University of Michigan) and measured using...


Nat Chem Biol 12: 741-747 (2016)


Article DOI: 10.1038/nchembio.2134
BindingDB Entry DOI: 10.7270/Q2TH8KH1
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50123957
PNG
((E)-5-(3-Benzenesulfonylamino-phenyl)-pent-2-en-4-...)
Show SMILES ONC(=O)\C=C\C#Cc1ccc(NS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C17H14N2O4S/c20-17(18-21)9-5-4-6-14-10-12-15(13-11-14)19-24(22,23)16-7-2-1-3-8-16/h1-3,5,7-13,19,21H,(H,18,20)/b9-5+
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136n/an/an/an/an/an/an/an/a



St Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6


Bioorg Med Chem 23: 5151-5 (2015)


Article DOI: 10.1016/j.bmc.2014.12.066
BindingDB Entry DOI: 10.7270/Q2B859V9
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50123957
PNG
((E)-5-(3-Benzenesulfonylamino-phenyl)-pent-2-en-4-...)
Show SMILES ONC(=O)\C=C\C#Cc1ccc(NS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C17H14N2O4S/c20-17(18-21)9-5-4-6-14-10-12-15(13-11-14)19-24(22,23)16-7-2-1-3-8-16/h1-3,5,7-13,19,21H,(H,18,20)/b9-5+
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325n/an/an/an/an/an/an/an/a



St Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human HDAC7


Bioorg Med Chem 23: 5151-5 (2015)


Article DOI: 10.1016/j.bmc.2014.12.066
BindingDB Entry DOI: 10.7270/Q2B859V9
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50123957
PNG
((E)-5-(3-Benzenesulfonylamino-phenyl)-pent-2-en-4-...)
Show SMILES ONC(=O)\C=C\C#Cc1ccc(NS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C17H14N2O4S/c20-17(18-21)9-5-4-6-14-10-12-15(13-11-14)19-24(22,23)16-7-2-1-3-8-16/h1-3,5,7-13,19,21H,(H,18,20)/b9-5+
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2.03E+3n/an/an/an/an/an/an/an/a



St Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human HDAC4


Bioorg Med Chem 23: 5151-5 (2015)


Article DOI: 10.1016/j.bmc.2014.12.066
BindingDB Entry DOI: 10.7270/Q2B859V9
More data for this
Ligand-Target Pair