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PubMed code 25906087

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))
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 5.5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant HDAC8 expressed in baculovirus infected insect S9 cells using Ac-Leu-GlyLys(Tfa)-AMC as substrate after 3...


J Med Chem 58: 4325-38 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00317
BindingDB Entry DOI: 10.7270/Q2057HP5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50087853
PNG
(CHEMBL3426906)
Show SMILES ONC(=O)CCCCCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C14H17N3O7S/c18-12(15-19)9-5-2-6-10-23-13-14(17(20)24-16-13)25(21,22)11-7-3-1-4-8-11/h1,3-4,7-8,19H,2,5-6,9-10H2,(H,15,18)
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n/an/a 7.40n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant HDAC6 expressed in baculovirus infected insect S9 cells using Ac-Leu-GlyLys(Tfa)-AMC as substrate after 3...


J Med Chem 58: 4325-38 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00317
BindingDB Entry DOI: 10.7270/Q2057HP5
More data for this
Ligand-Target Pair
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 22n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant HDAC6 expressed in baculovirus infected insect S9 cells using Ac-Leu-GlyLys(Tfa)-AMC as substrate after 3...


J Med Chem 58: 4325-38 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00317
BindingDB Entry DOI: 10.7270/Q2057HP5
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50087853
PNG
(CHEMBL3426906)
Show SMILES ONC(=O)CCCCCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C14H17N3O7S/c18-12(15-19)9-5-2-6-10-23-13-14(17(20)24-16-13)25(21,22)11-7-3-1-4-8-11/h1,3-4,7-8,19H,2,5-6,9-10H2,(H,15,18)
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n/an/a 30n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC4 expressed in baculovirus infected insect S9 cells using Ac-Leu-GlyLys(Tfa)-AMC as substrate after 30 mins by fl...


J Med Chem 58: 4325-38 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00317
BindingDB Entry DOI: 10.7270/Q2057HP5
More data for this
Ligand-Target Pair
Histone deacetylase 11


(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 35n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant HDAC11 expressed in baculovirus infected insect S9 cells after 30 mins by fluorescence assay


J Med Chem 58: 4325-38 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00317
BindingDB Entry DOI: 10.7270/Q2057HP5
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 38n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant HDAC1 expressed in baculovirus using Ac-Leu-GlyLys(Ac)-AMC as substrate after 30 mins by fluorescence ass...


J Med Chem 58: 4325-38 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00317
BindingDB Entry DOI: 10.7270/Q2057HP5
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 59n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant HDAC3 expressed in baculovirus infected insect S9 cells using Ac-Leu-GlyLys(Ac)-AMC as substrate after 30...


J Med Chem 58: 4325-38 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00317
BindingDB Entry DOI: 10.7270/Q2057HP5
More data for this
Ligand-Target Pair
Histone deacetylase 4


(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>100n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC4 expressed in baculovirus infected insect S9 cells using Ac-Leu-GlyLys(Tfa)-AMC as substrate after 30 mins by fl...


J Med Chem 58: 4325-38 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00317
BindingDB Entry DOI: 10.7270/Q2057HP5
More data for this
Ligand-Target Pair
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 121n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant HDAC2 expressed in baculovirus infected insect S9 cells using Ac-Leu-GlyLys(Ac)-AMC as substrate after 30...


J Med Chem 58: 4325-38 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00317
BindingDB Entry DOI: 10.7270/Q2057HP5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50087853
PNG
(CHEMBL3426906)
Show SMILES ONC(=O)CCCCCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C14H17N3O7S/c18-12(15-19)9-5-2-6-10-23-13-14(17(20)24-16-13)25(21,22)11-7-3-1-4-8-11/h1,3-4,7-8,19H,2,5-6,9-10H2,(H,15,18)
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n/an/a 241n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant HDAC1 expressed in baculovirus using Ac-Leu-GlyLys(Ac)-AMC as substrate after 30 mins by fluorescence ass...


J Med Chem 58: 4325-38 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00317
BindingDB Entry DOI: 10.7270/Q2057HP5
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50087853
PNG
(CHEMBL3426906)
Show SMILES ONC(=O)CCCCCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C14H17N3O7S/c18-12(15-19)9-5-2-6-10-23-13-14(17(20)24-16-13)25(21,22)11-7-3-1-4-8-11/h1,3-4,7-8,19H,2,5-6,9-10H2,(H,15,18)
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n/an/a 343n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant HDAC8 expressed in baculovirus infected insect S9 cells using Ac-Leu-GlyLys(Tfa)-AMC as substrate after 3...


J Med Chem 58: 4325-38 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00317
BindingDB Entry DOI: 10.7270/Q2057HP5
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50087853
PNG
(CHEMBL3426906)
Show SMILES ONC(=O)CCCCCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C14H17N3O7S/c18-12(15-19)9-5-2-6-10-23-13-14(17(20)24-16-13)25(21,22)11-7-3-1-4-8-11/h1,3-4,7-8,19H,2,5-6,9-10H2,(H,15,18)
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n/an/a 381n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant HDAC2 expressed in baculovirus infected insect S9 cells using Ac-Leu-GlyLys(Ac)-AMC as substrate after 30...


J Med Chem 58: 4325-38 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00317
BindingDB Entry DOI: 10.7270/Q2057HP5
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50087853
PNG
(CHEMBL3426906)
Show SMILES ONC(=O)CCCCCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C14H17N3O7S/c18-12(15-19)9-5-2-6-10-23-13-14(17(20)24-16-13)25(21,22)11-7-3-1-4-8-11/h1,3-4,7-8,19H,2,5-6,9-10H2,(H,15,18)
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n/an/a 532n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant HDAC3 expressed in baculovirus infected insect S9 cells using Ac-Leu-GlyLys(Ac)-AMC as substrate after 30...


J Med Chem 58: 4325-38 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00317
BindingDB Entry DOI: 10.7270/Q2057HP5
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50087853
PNG
(CHEMBL3426906)
Show SMILES ONC(=O)CCCCCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C14H17N3O7S/c18-12(15-19)9-5-2-6-10-23-13-14(17(20)24-16-13)25(21,22)11-7-3-1-4-8-11/h1,3-4,7-8,19H,2,5-6,9-10H2,(H,15,18)
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n/an/a 608n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant HDAC11 expressed in baculovirus infected insect S9 cells after 30 mins by fluorescence assay


J Med Chem 58: 4325-38 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00317
BindingDB Entry DOI: 10.7270/Q2057HP5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%