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PubMed code 23089527

Compile data set for download or QSAR
Found 6 hits of Enzyme Inhibition Constant Data   
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 6


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 74n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 using Fluor-de-Lys as substrate compound pretreated for 30 mins before substrate addition by fluorescence assay


Bioorg Med Chem Lett 22: 7084-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.093
BindingDB Entry DOI: 10.7270/Q2BV7HTZ
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 96n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 using Fluor-de-Lys as substrate compound pretreated for 30 mins before substrate addition by fluorescence assay


Bioorg Med Chem Lett 22: 7084-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.093
BindingDB Entry DOI: 10.7270/Q2BV7HTZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 3


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 136n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 using Fluor-de-Lys as substrate compound pretreated for 30 mins before substrate addition by fluorescence assay


Bioorg Med Chem Lett 22: 7084-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.093
BindingDB Entry DOI: 10.7270/Q2BV7HTZ
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50401856
PNG
(CHEMBL2204664)
Show SMILES CC(C)(C)C(CCCCC(=O)NO)CC(=O)Nc1ccccc1
Show InChI InChI=1S/C18H28N2O3/c1-18(2,3)14(9-7-8-12-16(21)20-23)13-17(22)19-15-10-5-4-6-11-15/h4-6,10-11,14,23H,7-9,12-13H2,1-3H3,(H,19,22)(H,20,21)
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n/an/a 990n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 using Fluor-de-Lys as substrate compound pretreated for 30 mins before substrate addition by fluorescence assay


Bioorg Med Chem Lett 22: 7084-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.093
BindingDB Entry DOI: 10.7270/Q2BV7HTZ
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50401856
PNG
(CHEMBL2204664)
Show SMILES CC(C)(C)C(CCCCC(=O)NO)CC(=O)Nc1ccccc1
Show InChI InChI=1S/C18H28N2O3/c1-18(2,3)14(9-7-8-12-16(21)20-23)13-17(22)19-15-10-5-4-6-11-15/h4-6,10-11,14,23H,7-9,12-13H2,1-3H3,(H,19,22)(H,20,21)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 using Fluor-de-Lys as substrate compound pretreated for 30 mins before substrate addition by fluorescence assay


Bioorg Med Chem Lett 22: 7084-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.093
BindingDB Entry DOI: 10.7270/Q2BV7HTZ
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50401856
PNG
(CHEMBL2204664)
Show SMILES CC(C)(C)C(CCCCC(=O)NO)CC(=O)Nc1ccccc1
Show InChI InChI=1S/C18H28N2O3/c1-18(2,3)14(9-7-8-12-16(21)20-23)13-17(22)19-15-10-5-4-6-11-15/h4-6,10-11,14,23H,7-9,12-13H2,1-3H3,(H,19,22)(H,20,21)
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Article
PubMed
n/an/a 5.40E+3n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 using Fluor-de-Lys as substrate compound pretreated for 30 mins before substrate addition by fluorescence assay


Bioorg Med Chem Lett 22: 7084-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.093
BindingDB Entry DOI: 10.7270/Q2BV7HTZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%