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PubMed code 17346959

Compile data set for download or QSAR
Found 14 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 8


(Homo sapiens (Human))
BDBM50015149
PNG
(CHEMBL156887 | N-Hydroxy-4-naphthalen-1-yl-benzami...)
Show SMILES ONC(=O)c1ccc(cc1)-c1cccc2ccccc12
Show InChI InChI=1S/C17H13NO2/c19-17(18-20)14-10-8-13(9-11-14)16-7-3-5-12-4-1-2-6-15(12)16/h1-11,20H,(H,18,19)
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n/an/a 300n/an/an/an/an/an/a



Ithaca College

Curated by ChEMBL


Assay Description
Inhibition of human HDAC8 by [3H]acetyl histone peptide assay


Bioorg Med Chem Lett 17: 2874-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.064
BindingDB Entry DOI: 10.7270/Q2513XWG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50207560
PNG
(CHEMBL245548 | N-hydroxy-3-(naphthalen-1-yl)acryla...)
Show SMILES ONC(=O)\C=C\c1cccc2ccccc12
Show InChI InChI=1S/C13H11NO2/c15-13(14-16)9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-9,16H,(H,14,15)/b9-8+
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n/an/a 700n/an/an/an/an/an/a



Ithaca College

Curated by ChEMBL


Assay Description
Inhibition of human HDAC8 by [3H]acetyl histone peptide assay


Bioorg Med Chem Lett 17: 2874-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.064
BindingDB Entry DOI: 10.7270/Q2513XWG
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50207559
PNG
(CHEMBL245741 | N-hydroxy-3-phenoxybenzamide)
Show SMILES ONC(=O)c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C13H11NO3/c15-13(14-16)10-5-4-8-12(9-10)17-11-6-2-1-3-7-11/h1-9,16H,(H,14,15)
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n/an/a 6.60E+3n/an/an/an/an/an/a



Ithaca College

Curated by ChEMBL


Assay Description
Inhibition of human HDAC8 by [3H]acetyl histone peptide assay


Bioorg Med Chem Lett 17: 2874-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.064
BindingDB Entry DOI: 10.7270/Q2513XWG
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50015152
PNG
(CHEMBL115468 | N-hydroxy-1-naphthamide | Naphthale...)
Show SMILES ONC(=O)c1cccc2ccccc12
Show InChI InChI=1S/C11H9NO2/c13-11(12-14)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,14H,(H,12,13)
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n/an/a 1.40E+4n/an/an/an/an/an/a



Ithaca College

Curated by ChEMBL


Assay Description
Inhibition of human HDAC8 by [3H]acetyl histone peptide assay


Bioorg Med Chem Lett 17: 2874-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.064
BindingDB Entry DOI: 10.7270/Q2513XWG
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50015109
PNG
(CHEMBL154517 | biphenyl-3-carboxylic acid hydroxya...)
Show SMILES ONC(=O)c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C13H11NO2/c15-13(14-16)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9,16H,(H,14,15)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Ithaca College

Curated by ChEMBL


Assay Description
Inhibition of human HDAC8 by [3H]acetyl histone peptide assay


Bioorg Med Chem Lett 17: 2874-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.064
BindingDB Entry DOI: 10.7270/Q2513XWG
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50015149
PNG
(CHEMBL156887 | N-Hydroxy-4-naphthalen-1-yl-benzami...)
Show SMILES ONC(=O)c1ccc(cc1)-c1cccc2ccccc12
Show InChI InChI=1S/C17H13NO2/c19-17(18-20)14-10-8-13(9-11-14)16-7-3-5-12-4-1-2-6-15(12)16/h1-11,20H,(H,18,19)
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n/an/a 5.50E+4n/an/an/an/an/an/a



Ithaca College

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 by [3H]acetyl histone peptide assay


Bioorg Med Chem Lett 17: 2874-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.064
BindingDB Entry DOI: 10.7270/Q2513XWG
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50207561
PNG
(CHEMBL396097 | Class IIa HDAC inhibitor, Compound ...)
Show SMILES ONC(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C14H13NO2/c16-14(15-17)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13,17H,(H,15,16)
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n/an/a 6.60E+4n/an/an/an/an/an/a



Ithaca College

Curated by ChEMBL


Assay Description
Inhibition of human HDAC8 by [3H]acetyl histone peptide assay


Bioorg Med Chem Lett 17: 2874-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.064
BindingDB Entry DOI: 10.7270/Q2513XWG
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50207560
PNG
(CHEMBL245548 | N-hydroxy-3-(naphthalen-1-yl)acryla...)
Show SMILES ONC(=O)\C=C\c1cccc2ccccc12
Show InChI InChI=1S/C13H11NO2/c15-13(14-16)9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-9,16H,(H,14,15)/b9-8+
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n/an/a 8.20E+4n/an/an/an/an/an/a



Ithaca College

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 by [3H]acetyl histone peptide assay


Bioorg Med Chem Lett 17: 2874-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.064
BindingDB Entry DOI: 10.7270/Q2513XWG
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50015152
PNG
(CHEMBL115468 | N-hydroxy-1-naphthamide | Naphthale...)
Show SMILES ONC(=O)c1cccc2ccccc12
Show InChI InChI=1S/C11H9NO2/c13-11(12-14)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,14H,(H,12,13)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Ithaca College

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 by [3H]acetyl histone peptide assay


Bioorg Med Chem Lett 17: 2874-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.064
BindingDB Entry DOI: 10.7270/Q2513XWG
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50015149
PNG
(CHEMBL156887 | N-Hydroxy-4-naphthalen-1-yl-benzami...)
Show SMILES ONC(=O)c1ccc(cc1)-c1cccc2ccccc12
Show InChI InChI=1S/C17H13NO2/c19-17(18-20)14-10-8-13(9-11-14)16-7-3-5-12-4-1-2-6-15(12)16/h1-11,20H,(H,18,19)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Ithaca College

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1 by [3H]acetyl histone peptide assay


Bioorg Med Chem Lett 17: 2874-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.064
BindingDB Entry DOI: 10.7270/Q2513XWG
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50015109
PNG
(CHEMBL154517 | biphenyl-3-carboxylic acid hydroxya...)
Show SMILES ONC(=O)c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C13H11NO2/c15-13(14-16)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9,16H,(H,14,15)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Ithaca College

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1 by [3H]acetyl histone peptide assay


Bioorg Med Chem Lett 17: 2874-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.064
BindingDB Entry DOI: 10.7270/Q2513XWG
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50015152
PNG
(CHEMBL115468 | N-hydroxy-1-naphthamide | Naphthale...)
Show SMILES ONC(=O)c1cccc2ccccc12
Show InChI InChI=1S/C11H9NO2/c13-11(12-14)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,14H,(H,12,13)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Ithaca College

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1 by [3H]acetyl histone peptide assay


Bioorg Med Chem Lett 17: 2874-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.064
BindingDB Entry DOI: 10.7270/Q2513XWG
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50015109
PNG
(CHEMBL154517 | biphenyl-3-carboxylic acid hydroxya...)
Show SMILES ONC(=O)c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C13H11NO2/c15-13(14-16)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9,16H,(H,14,15)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Ithaca College

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 by [3H]acetyl histone peptide assay


Bioorg Med Chem Lett 17: 2874-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.064
BindingDB Entry DOI: 10.7270/Q2513XWG
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50207560
PNG
(CHEMBL245548 | N-hydroxy-3-(naphthalen-1-yl)acryla...)
Show SMILES ONC(=O)\C=C\c1cccc2ccccc12
Show InChI InChI=1S/C13H11NO2/c15-13(14-16)9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-9,16H,(H,14,15)/b9-8+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Ithaca College

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1 by [3H]acetyl histone peptide assay


Bioorg Med Chem Lett 17: 2874-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.064
BindingDB Entry DOI: 10.7270/Q2513XWG
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%