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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 6' and Ligand = 'BDBM50015184'   
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))
BDBM50015184
PNG
(BENZHYDROXAMIC ACID | BENZOHYDROXAMATE | CHEMBL163...)
Show SMILES ONC(=O)c1ccccc1
Show InChI InChI=1S/C7H7NO2/c9-7(8-10)6-4-2-1-3-5-6/h1-5,10H,(H,8,9)
PDB
MMDB

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Article
PubMed
n/an/a 115n/an/an/an/an/a25



Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin) assessed as fluorescence intensity measured after 60 mins incubation at room temperature by trypsin-free microfl...


J Med Chem 56: 1772-6 (2013)


Article DOI: 10.1021/jm301355j
BindingDB Entry DOI: 10.7270/Q2XK8GWB
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50015184
PNG
(BENZHYDROXAMIC ACID | BENZOHYDROXAMATE | CHEMBL163...)
Show SMILES ONC(=O)c1ccccc1
Show InChI InChI=1S/C7H7NO2/c9-7(8-10)6-4-2-1-3-5-6/h1-5,10H,(H,8,9)
PDB
MMDB

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CHEMBL
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MCE
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PC sid
PDB
UniChem

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Article
PubMed
n/an/a 1.34E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged HDAC6 expressed in Sf9 insect cells using Fluor de Lys deacetylase or Fluor de Lys ...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00425
BindingDB Entry DOI: 10.7270/Q2639THK
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50015184
PNG
(BENZHYDROXAMIC ACID | BENZOHYDROXAMATE | CHEMBL163...)
Show SMILES ONC(=O)c1ccccc1
Show InChI InChI=1S/C7H7NO2/c9-7(8-10)6-4-2-1-3-5-6/h1-5,10H,(H,8,9)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
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MCE
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PC sid
PDB
UniChem

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Article
PubMed
n/an/a 2.37E+3n/an/an/an/an/an/a



Preclinical R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human N-terminal GST-tagged HDAC6 expressed in baculovirus infected sf9 insect cells pretreated with compound f...


J Med Chem 62: 10711-10739 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01194
BindingDB Entry DOI: 10.7270/Q2KP85MZ
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50015184
PNG
(BENZHYDROXAMIC ACID | BENZOHYDROXAMATE | CHEMBL163...)
Show SMILES ONC(=O)c1ccccc1
Show InChI InChI=1S/C7H7NO2/c9-7(8-10)6-4-2-1-3-5-6/h1-5,10H,(H,8,9)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.37E+3n/an/an/an/an/an/a



Preclinical R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human N-terminal GST-tagged HDAC6 expressed in baculovirus infected sf9 insect cells pretreated with compound f...


J Med Chem 62: 10711-10739 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01194
BindingDB Entry DOI: 10.7270/Q2KP85MZ
More data for this
Ligand-Target Pair