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PubMed code 21256006

Compile data set for download or QSAR
Found 11 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))
BDBM19130
PNG
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)/b10-5+,13-11+
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Article
PubMed
n/an/a 600n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 by fluorescence assay


Bioorg Med Chem Lett 21: 1218-21 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.079
BindingDB Entry DOI: 10.7270/Q28K79C8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50336342
PNG
(CHEMBL1668018 | N-hydroxy-3-(1-(3-(naphthalen-2-yl...)
Show SMILES ONC(=O)CCC1=CCN(CCCc2ccc3ccccc3c2)C1=O
Show InChI InChI=1S/C20H22N2O3/c23-19(21-25)10-9-17-11-13-22(20(17)24)12-3-4-15-7-8-16-5-1-2-6-18(16)14-15/h1-2,5-8,11,14,25H,3-4,9-10,12-13H2,(H,21,23)
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n/an/a 800n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 by fluorescence assay


Bioorg Med Chem Lett 21: 1218-21 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.079
BindingDB Entry DOI: 10.7270/Q28K79C8
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM19130
PNG
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)/b10-5+,13-11+
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PubMed
n/an/a 3.90E+3n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 by fluorescence assay


Bioorg Med Chem Lett 21: 1218-21 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.079
BindingDB Entry DOI: 10.7270/Q28K79C8
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM19130
PNG
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)/b10-5+,13-11+
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n/an/a 5.20E+3n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 by fluorescence assay


Bioorg Med Chem Lett 21: 1218-21 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.079
BindingDB Entry DOI: 10.7270/Q28K79C8
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM19130
PNG
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)/b10-5+,13-11+
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PubMed
n/an/a 7.60E+3n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 by fluorescence assay


Bioorg Med Chem Lett 21: 1218-21 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.079
BindingDB Entry DOI: 10.7270/Q28K79C8
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM19130
PNG
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)/b10-5+,13-11+
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Article
PubMed
n/an/a 7.69E+3n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of HDAC4 by fluorescence assay


Bioorg Med Chem Lett 21: 1218-21 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.079
BindingDB Entry DOI: 10.7270/Q28K79C8
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50336342
PNG
(CHEMBL1668018 | N-hydroxy-3-(1-(3-(naphthalen-2-yl...)
Show SMILES ONC(=O)CCC1=CCN(CCCc2ccc3ccccc3c2)C1=O
Show InChI InChI=1S/C20H22N2O3/c23-19(21-25)10-9-17-11-13-22(20(17)24)12-3-4-15-7-8-16-5-1-2-6-18(16)14-15/h1-2,5-8,11,14,25H,3-4,9-10,12-13H2,(H,21,23)
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n/an/a 1.64E+4n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 by fluorescence assay


Bioorg Med Chem Lett 21: 1218-21 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.079
BindingDB Entry DOI: 10.7270/Q28K79C8
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50336342
PNG
(CHEMBL1668018 | N-hydroxy-3-(1-(3-(naphthalen-2-yl...)
Show SMILES ONC(=O)CCC1=CCN(CCCc2ccc3ccccc3c2)C1=O
Show InChI InChI=1S/C20H22N2O3/c23-19(21-25)10-9-17-11-13-22(20(17)24)12-3-4-15-7-8-16-5-1-2-6-18(16)14-15/h1-2,5-8,11,14,25H,3-4,9-10,12-13H2,(H,21,23)
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n/an/a 2.56E+4n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 by fluorescence assay


Bioorg Med Chem Lett 21: 1218-21 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.079
BindingDB Entry DOI: 10.7270/Q28K79C8
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM19130
PNG
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)/b10-5+,13-11+
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n/an/a 7.31E+4n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 by fluorescence assay


Bioorg Med Chem Lett 21: 1218-21 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.079
BindingDB Entry DOI: 10.7270/Q28K79C8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50336342
PNG
(CHEMBL1668018 | N-hydroxy-3-(1-(3-(naphthalen-2-yl...)
Show SMILES ONC(=O)CCC1=CCN(CCCc2ccc3ccccc3c2)C1=O
Show InChI InChI=1S/C20H22N2O3/c23-19(21-25)10-9-17-11-13-22(20(17)24)12-3-4-15-7-8-16-5-1-2-6-18(16)14-15/h1-2,5-8,11,14,25H,3-4,9-10,12-13H2,(H,21,23)
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n/an/a 8.01E+4n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 by fluorescence assay


Bioorg Med Chem Lett 21: 1218-21 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.079
BindingDB Entry DOI: 10.7270/Q28K79C8
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50336342
PNG
(CHEMBL1668018 | N-hydroxy-3-(1-(3-(naphthalen-2-yl...)
Show SMILES ONC(=O)CCC1=CCN(CCCc2ccc3ccccc3c2)C1=O
Show InChI InChI=1S/C20H22N2O3/c23-19(21-25)10-9-17-11-13-22(20(17)24)12-3-4-15-7-8-16-5-1-2-6-18(16)14-15/h1-2,5-8,11,14,25H,3-4,9-10,12-13H2,(H,21,23)
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n/an/a 1.20E+5n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 by fluorescence assay


Bioorg Med Chem Lett 21: 1218-21 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.079
BindingDB Entry DOI: 10.7270/Q28K79C8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%