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PubMed code 21745740

Compile data set for download or QSAR
Found 10 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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PubMed
n/an/a 34n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 expressed in baculovirus infected insect High5 cells using Boc-Lys(epsilon-acetyl)-AMC as substrate by fluoresc...


Bioorg Med Chem Lett 21: 4844-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.046
BindingDB Entry DOI: 10.7270/Q2WM1DR3
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 120n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate by f...


Bioorg Med Chem Lett 21: 4844-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.046
BindingDB Entry DOI: 10.7270/Q2WM1DR3
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 170n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC3 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate by f...


Bioorg Med Chem Lett 21: 4844-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.046
BindingDB Entry DOI: 10.7270/Q2WM1DR3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50349514
PNG
(CHEMBL1808673)
Show SMILES ONC(=O)\C=C\C=C\CC\C=C\c1ccc2OCOc2c1
Show InChI InChI=1S/C16H17NO4/c18-16(17-19)8-6-4-2-1-3-5-7-13-9-10-14-15(11-13)21-12-20-14/h2,4-11,19H,1,3,12H2,(H,17,18)/b4-2+,7-5+,8-6+
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n/an/a 730n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate by f...


Bioorg Med Chem Lett 21: 4844-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.046
BindingDB Entry DOI: 10.7270/Q2WM1DR3
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50349514
PNG
(CHEMBL1808673)
Show SMILES ONC(=O)\C=C\C=C\CC\C=C\c1ccc2OCOc2c1
Show InChI InChI=1S/C16H17NO4/c18-16(17-19)8-6-4-2-1-3-5-7-13-9-10-14-15(11-13)21-12-20-14/h2,4-11,19H,1,3,12H2,(H,17,18)/b4-2+,7-5+,8-6+
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n/an/a 730n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 expressed in baculovirus infected insect High5 cells using Boc-Lys(epsilon-acetyl)-AMC as substrate by fluoresc...


Bioorg Med Chem Lett 21: 4844-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.046
BindingDB Entry DOI: 10.7270/Q2WM1DR3
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50349514
PNG
(CHEMBL1808673)
Show SMILES ONC(=O)\C=C\C=C\CC\C=C\c1ccc2OCOc2c1
Show InChI InChI=1S/C16H17NO4/c18-16(17-19)8-6-4-2-1-3-5-7-13-9-10-14-15(11-13)21-12-20-14/h2,4-11,19H,1,3,12H2,(H,17,18)/b4-2+,7-5+,8-6+
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n/an/a 760n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC3 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate by f...


Bioorg Med Chem Lett 21: 4844-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.046
BindingDB Entry DOI: 10.7270/Q2WM1DR3
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50349515
PNG
(CHEMBL1808674)
Show SMILES ONC(=O)\C=C\C=C\CCCCc1ccc2OCOc2c1
Show InChI InChI=1S/C16H19NO4/c18-16(17-19)8-6-4-2-1-3-5-7-13-9-10-14-15(11-13)21-12-20-14/h2,4,6,8-11,19H,1,3,5,7,12H2,(H,17,18)/b4-2+,8-6+
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n/an/a 1.52E+3n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC3 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate by f...


Bioorg Med Chem Lett 21: 4844-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.046
BindingDB Entry DOI: 10.7270/Q2WM1DR3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50349515
PNG
(CHEMBL1808674)
Show SMILES ONC(=O)\C=C\C=C\CCCCc1ccc2OCOc2c1
Show InChI InChI=1S/C16H19NO4/c18-16(17-19)8-6-4-2-1-3-5-7-13-9-10-14-15(11-13)21-12-20-14/h2,4,6,8-11,19H,1,3,5,7,12H2,(H,17,18)/b4-2+,8-6+
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n/an/a 1.61E+3n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate by f...


Bioorg Med Chem Lett 21: 4844-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.046
BindingDB Entry DOI: 10.7270/Q2WM1DR3
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50349515
PNG
(CHEMBL1808674)
Show SMILES ONC(=O)\C=C\C=C\CCCCc1ccc2OCOc2c1
Show InChI InChI=1S/C16H19NO4/c18-16(17-19)8-6-4-2-1-3-5-7-13-9-10-14-15(11-13)21-12-20-14/h2,4,6,8-11,19H,1,3,5,7,12H2,(H,17,18)/b4-2+,8-6+
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n/an/a 2.25E+3n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 expressed in baculovirus infected insect High5 cells using Boc-Lys(epsilon-acetyl)-AMC as substrate by fluoresc...


Bioorg Med Chem Lett 21: 4844-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.046
BindingDB Entry DOI: 10.7270/Q2WM1DR3
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50349516
PNG
(CHEMBL1808672)
Show SMILES ONC(=O)\C=C\C=C\c1ccc2OCOc2c1
Show InChI InChI=1S/C12H11NO4/c14-12(13-15)4-2-1-3-9-5-6-10-11(7-9)17-8-16-10/h1-7,15H,8H2,(H,13,14)/b3-1+,4-2+
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Article
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n/an/a 3.04E+4n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 expressed in baculovirus infected insect High5 cells using Boc-Lys(epsilon-acetyl)-AMC as substrate by fluoresc...


Bioorg Med Chem Lett 21: 4844-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.046
BindingDB Entry DOI: 10.7270/Q2WM1DR3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%