BindingDB logo
myBDB logout

PubMed code 26689485

Compile data set for download or QSAR
Found 18 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 1


(Homo sapiens (human))
BDBM50143215
PNG
(CHEMBL3758457)
Show SMILES ONC(=O)\C=C\c1ccc(\C=C(\CNC2CC2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C21H21FN2O2/c22-19-8-6-17(7-9-19)18(14-23-20-10-11-20)13-16-3-1-15(2-4-16)5-12-21(25)24-26/h1-9,12-13,20,23,26H,10-11,14H2,(H,24,25)/b12-5+,18-13-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Orchid Chemicals& Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin)


Eur J Med Chem 108: 274-86 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.014
BindingDB Entry DOI: 10.7270/Q2J9687D
More data for this
Ligand-Target Pair
Histone deacetylase


(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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 23n/an/an/an/an/an/a



Orchid Chemicals& Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin)


Eur J Med Chem 108: 274-86 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.014
BindingDB Entry DOI: 10.7270/Q2J9687D
More data for this
Ligand-Target Pair
Histone deacetylase 3/NCoR1


(Homo sapiens (human))
BDBM50143215
PNG
(CHEMBL3758457)
Show SMILES ONC(=O)\C=C\c1ccc(\C=C(\CNC2CC2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C21H21FN2O2/c22-19-8-6-17(7-9-19)18(14-23-20-10-11-20)13-16-3-1-15(2-4-16)5-12-21(25)24-26/h1-9,12-13,20,23,26H,10-11,14H2,(H,24,25)/b12-5+,18-13-
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Orchid Chemicals& Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 (unknown origin)


Eur J Med Chem 108: 274-86 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.014
BindingDB Entry DOI: 10.7270/Q2J9687D
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50143215
PNG
(CHEMBL3758457)
Show SMILES ONC(=O)\C=C\c1ccc(\C=C(\CNC2CC2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C21H21FN2O2/c22-19-8-6-17(7-9-19)18(14-23-20-10-11-20)13-16-3-1-15(2-4-16)5-12-21(25)24-26/h1-9,12-13,20,23,26H,10-11,14H2,(H,24,25)/b12-5+,18-13-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 27n/an/an/an/an/an/a



Orchid Chemicals& Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin)


Eur J Med Chem 108: 274-86 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.014
BindingDB Entry DOI: 10.7270/Q2J9687D
More data for this
Ligand-Target Pair
Histone deacetylase 3/NCoR1


(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)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 38n/an/an/an/an/an/a



Orchid Chemicals& Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 (unknown origin)


Eur J Med Chem 108: 274-86 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.014
BindingDB Entry DOI: 10.7270/Q2J9687D
More data for this
Ligand-Target Pair
Histone Deacetylase 10 (HDAC10)


(Homo sapiens (human))
BDBM50143215
PNG
(CHEMBL3758457)
Show SMILES ONC(=O)\C=C\c1ccc(\C=C(\CNC2CC2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C21H21FN2O2/c22-19-8-6-17(7-9-19)18(14-23-20-10-11-20)13-16-3-1-15(2-4-16)5-12-21(25)24-26/h1-9,12-13,20,23,26H,10-11,14H2,(H,24,25)/b12-5+,18-13-
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 42n/an/an/an/an/an/a



Orchid Chemicals& Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC10 (unknown origin)


Eur J Med Chem 108: 274-86 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.014
BindingDB Entry DOI: 10.7270/Q2J9687D
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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 43n/an/an/an/an/an/a



Orchid Chemicals& Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin)


Eur J Med Chem 108: 274-86 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.014
BindingDB Entry DOI: 10.7270/Q2J9687D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase


(Homo sapiens (human))
BDBM50143215
PNG
(CHEMBL3758457)
Show SMILES ONC(=O)\C=C\c1ccc(\C=C(\CNC2CC2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C21H21FN2O2/c22-19-8-6-17(7-9-19)18(14-23-20-10-11-20)13-16-3-1-15(2-4-16)5-12-21(25)24-26/h1-9,12-13,20,23,26H,10-11,14H2,(H,24,25)/b12-5+,18-13-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 54n/an/an/an/an/an/a



Orchid Chemicals& Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 (unknown origin)


Eur J Med Chem 108: 274-86 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.014
BindingDB Entry DOI: 10.7270/Q2J9687D
More data for this
Ligand-Target Pair
Histone Deacetylase 10 (HDAC10)


(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)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 64n/an/an/an/an/an/a



Orchid Chemicals& Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC10 (unknown origin)


Eur J Med Chem 108: 274-86 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.014
BindingDB Entry DOI: 10.7270/Q2J9687D
More data for this
Ligand-Target Pair
Histone deacetylase


(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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 118n/an/an/an/an/an/a



Orchid Chemicals& Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 (unknown origin)


Eur J Med Chem 108: 274-86 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.014
BindingDB Entry DOI: 10.7270/Q2J9687D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

MMDB
PDB
Article
PubMed
n/an/a 119n/an/an/an/an/an/a



Orchid Chemicals& Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 (unknown origin)


Eur J Med Chem 108: 274-86 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.014
BindingDB Entry DOI: 10.7270/Q2J9687D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50143215
PNG
(CHEMBL3758457)
Show SMILES ONC(=O)\C=C\c1ccc(\C=C(\CNC2CC2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C21H21FN2O2/c22-19-8-6-17(7-9-19)18(14-23-20-10-11-20)13-16-3-1-15(2-4-16)5-12-21(25)24-26/h1-9,12-13,20,23,26H,10-11,14H2,(H,24,25)/b12-5+,18-13-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 319n/an/an/an/an/an/a



Orchid Chemicals& Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC4 (unknown origin)


Eur J Med Chem 108: 274-86 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.014
BindingDB Entry DOI: 10.7270/Q2J9687D
More data for this
Ligand-Target Pair
Histone deacetylase 1/3/5/8


(Homo sapiens (Human))
BDBM50143215
PNG
(CHEMBL3758457)
Show SMILES ONC(=O)\C=C\c1ccc(\C=C(\CNC2CC2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C21H21FN2O2/c22-19-8-6-17(7-9-19)18(14-23-20-10-11-20)13-16-3-1-15(2-4-16)5-12-21(25)24-26/h1-9,12-13,20,23,26H,10-11,14H2,(H,24,25)/b12-5+,18-13-
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 354n/an/an/an/an/an/a



Orchid Chemicals& Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC5 (unknown origin)


Eur J Med Chem 108: 274-86 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.014
BindingDB Entry DOI: 10.7270/Q2J9687D
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50143215
PNG
(CHEMBL3758457)
Show SMILES ONC(=O)\C=C\c1ccc(\C=C(\CNC2CC2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C21H21FN2O2/c22-19-8-6-17(7-9-19)18(14-23-20-10-11-20)13-16-3-1-15(2-4-16)5-12-21(25)24-26/h1-9,12-13,20,23,26H,10-11,14H2,(H,24,25)/b12-5+,18-13-
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 927n/an/an/an/an/an/a



Orchid Chemicals& Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC9 (unknown origin)


Eur J Med Chem 108: 274-86 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.014
BindingDB Entry DOI: 10.7270/Q2J9687D
More data for this
Ligand-Target Pair
Histone deacetylase 7 (HDAC7)


(Homo sapiens (human))
BDBM50143215
PNG
(CHEMBL3758457)
Show SMILES ONC(=O)\C=C\c1ccc(\C=C(\CNC2CC2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C21H21FN2O2/c22-19-8-6-17(7-9-19)18(14-23-20-10-11-20)13-16-3-1-15(2-4-16)5-12-21(25)24-26/h1-9,12-13,20,23,26H,10-11,14H2,(H,24,25)/b12-5+,18-13-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Orchid Chemicals& Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC7 (unknown origin)


Eur J Med Chem 108: 274-86 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.014
BindingDB Entry DOI: 10.7270/Q2J9687D
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (human))
BDBM50143215
PNG
(CHEMBL3758457)
Show SMILES ONC(=O)\C=C\c1ccc(\C=C(\CNC2CC2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C21H21FN2O2/c22-19-8-6-17(7-9-19)18(14-23-20-10-11-20)13-16-3-1-15(2-4-16)5-12-21(25)24-26/h1-9,12-13,20,23,26H,10-11,14H2,(H,24,25)/b12-5+,18-13-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 9.30E+3n/an/an/an/an/an/a



Orchid Chemicals& Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 (unknown origin)


Eur J Med Chem 108: 274-86 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.014
BindingDB Entry DOI: 10.7270/Q2J9687D
More data for this
Ligand-Target Pair
Histone deacetylase 1/3/5/8


(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)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.38E+4n/an/an/an/an/an/a



Orchid Chemicals& Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC5 (unknown origin)


Eur J Med Chem 108: 274-86 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.014
BindingDB Entry DOI: 10.7270/Q2J9687D
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (human))
BDBM50143215
PNG
(CHEMBL3758457)
Show SMILES ONC(=O)\C=C\c1ccc(\C=C(\CNC2CC2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C21H21FN2O2/c22-19-8-6-17(7-9-19)18(14-23-20-10-11-20)13-16-3-1-15(2-4-16)5-12-21(25)24-26/h1-9,12-13,20,23,26H,10-11,14H2,(H,24,25)/b12-5+,18-13-
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.70E+4n/an/an/an/an/an/a



Orchid Chemicals& Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC11 (unknown origin)


Eur J Med Chem 108: 274-86 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.014
BindingDB Entry DOI: 10.7270/Q2J9687D
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%