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PubMed code 26376355

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 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 70n/an/an/an/an/an/a



University of Milan

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin)


Bioorg Med Chem Lett 25: 4457-60 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.006
BindingDB Entry DOI: 10.7270/Q2BG2QTR
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



University of Milan

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin)


Bioorg Med Chem Lett 25: 4457-60 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.006
BindingDB Entry DOI: 10.7270/Q2BG2QTR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 2


(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 150n/an/an/an/an/an/a



University of Milan

Curated by ChEMBL


Assay Description
Inhibition of human HDAC2 after 40 mins by fluorescence analysis


Bioorg Med Chem Lett 25: 4457-60 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.006
BindingDB Entry DOI: 10.7270/Q2BG2QTR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50293360
PNG
(CHEMBL556532 | N-Hydroxy-E-3-(biphenyl-4-yl)-acryl...)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C15H13NO2/c17-15(16-18)11-8-12-6-9-14(10-7-12)13-4-2-1-3-5-13/h1-11,18H,(H,16,17)/b11-8+
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n/an/a 820n/an/an/an/an/an/a



University of Milan

Curated by ChEMBL


Assay Description
Inhibition of human HDAC2 after 40 mins by fluorescence analysis


Bioorg Med Chem Lett 25: 4457-60 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.006
BindingDB Entry DOI: 10.7270/Q2BG2QTR
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50124587
PNG
(CHEMBL3621537)
Show SMILES ONC(=O)N\C=C\c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C15H14N2O2/c18-15(17-19)16-11-10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-11,19H,(H2,16,17,18)/b11-10+
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n/an/a 1.05E+3n/an/an/an/an/an/a



University of Milan

Curated by ChEMBL


Assay Description
Inhibition of human HDAC2 after 40 mins by fluorescence analysis


Bioorg Med Chem Lett 25: 4457-60 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.006
BindingDB Entry DOI: 10.7270/Q2BG2QTR
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50124587
PNG
(CHEMBL3621537)
Show SMILES ONC(=O)N\C=C\c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C15H14N2O2/c18-15(17-19)16-11-10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-11,19H,(H2,16,17,18)/b11-10+
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n/an/a 1.05E+3n/an/an/an/an/an/a



University of Milan

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin)


Bioorg Med Chem Lett 25: 4457-60 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.006
BindingDB Entry DOI: 10.7270/Q2BG2QTR
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50124587
PNG
(CHEMBL3621537)
Show SMILES ONC(=O)N\C=C\c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C15H14N2O2/c18-15(17-19)16-11-10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-11,19H,(H2,16,17,18)/b11-10+
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n/an/a 1.31E+3n/an/an/an/an/an/a



University of Milan

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin)


Bioorg Med Chem Lett 25: 4457-60 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.006
BindingDB Entry DOI: 10.7270/Q2BG2QTR
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50124588
PNG
(CHEMBL3621538)
Show SMILES O=C(NOCc1ccccc1)N\C=C\c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H20N2O2/c25-22(24-26-17-19-7-3-1-4-8-19)23-16-15-18-11-13-21(14-12-18)20-9-5-2-6-10-20/h1-16H,17H2,(H2,23,24,25)/b16-15+
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n/an/a>5.00E+3n/an/an/an/an/an/a



University of Milan

Curated by ChEMBL


Assay Description
Inhibition of human HDAC2 after 40 mins by fluorescence analysis


Bioorg Med Chem Lett 25: 4457-60 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.006
BindingDB Entry DOI: 10.7270/Q2BG2QTR
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50124624
PNG
(CHEMBL3621541)
Show SMILES ON1CC\C(=C/c2ccc(cc2)-c2ccccc2)C1=O
Show InChI InChI=1S/C17H15NO2/c19-17-16(10-11-18(17)20)12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,12,20H,10-11H2/b16-12+
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n/an/a>5.00E+3n/an/an/an/an/an/a



University of Milan

Curated by ChEMBL


Assay Description
Inhibition of human HDAC2 after 40 mins by fluorescence analysis


Bioorg Med Chem Lett 25: 4457-60 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.006
BindingDB Entry DOI: 10.7270/Q2BG2QTR
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50124590
PNG
(CHEMBL3621540)
Show SMILES N#CSC\C=C\c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C16H13NS/c17-13-18-12-4-5-14-8-10-16(11-9-14)15-6-2-1-3-7-15/h1-11H,12H2/b5-4+
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n/an/a>5.00E+3n/an/an/an/an/an/a



University of Milan

Curated by ChEMBL


Assay Description
Inhibition of human HDAC2 after 40 mins by fluorescence analysis


Bioorg Med Chem Lett 25: 4457-60 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.006
BindingDB Entry DOI: 10.7270/Q2BG2QTR
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50124589
PNG
(CHEMBL3621539)
Show SMILES CC(=O)SCC(=O)\C=C\c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C18H16O2S/c1-14(19)21-13-18(20)12-9-15-7-10-17(11-8-15)16-5-3-2-4-6-16/h2-12H,13H2,1H3/b12-9+
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n/an/a>5.00E+3n/an/an/an/an/an/a



University of Milan

Curated by ChEMBL


Assay Description
Inhibition of human HDAC2 after 40 mins by fluorescence analysis


Bioorg Med Chem Lett 25: 4457-60 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.006
BindingDB Entry DOI: 10.7270/Q2BG2QTR
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50124586
PNG
(CHEMBL3621536)
Show SMILES NNC(=O)N\C=C\c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C15H15N3O/c16-18-15(19)17-11-10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-11H,16H2,(H2,17,18,19)/b11-10+
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n/an/a>5.00E+3n/an/an/an/an/an/a



University of Milan

Curated by ChEMBL


Assay Description
Inhibition of human HDAC2 after 40 mins by fluorescence analysis


Bioorg Med Chem Lett 25: 4457-60 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.006
BindingDB Entry DOI: 10.7270/Q2BG2QTR
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50124585
PNG
(CHEMBL3621535)
Show SMILES NNC(=O)\C=C\c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C15H14N2O/c16-17-15(18)11-8-12-6-9-14(10-7-12)13-4-2-1-3-5-13/h1-11H,16H2,(H,17,18)/b11-8+
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n/an/a>5.00E+3n/an/an/an/an/an/a



University of Milan

Curated by ChEMBL


Assay Description
Inhibition of human HDAC2 after 40 mins by fluorescence analysis


Bioorg Med Chem Lett 25: 4457-60 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.006
BindingDB Entry DOI: 10.7270/Q2BG2QTR
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50124584
PNG
(CHEMBL3621534)
Show SMILES OC(=O)\C=C\c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C15H12O2/c16-15(17)11-8-12-6-9-14(10-7-12)13-4-2-1-3-5-13/h1-11H,(H,16,17)/b11-8+
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n/an/a>5.00E+3n/an/an/an/an/an/a



University of Milan

Curated by ChEMBL


Assay Description
Inhibition of human HDAC2 after 40 mins by fluorescence analysis


Bioorg Med Chem Lett 25: 4457-60 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.006
BindingDB Entry DOI: 10.7270/Q2BG2QTR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%