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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 6' and Ligand = 'BDBM50036299'   
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))
BDBM50036299
PNG
(CHEMBL3353058)
Show SMILES ONC(=O)c1cc2CN(CCn2c1)C(=O)C1CCCCC1
Show InChI InChI=1S/C15H21N3O3/c19-14(16-21)12-8-13-10-18(7-6-17(13)9-12)15(20)11-4-2-1-3-5-11/h8-9,11,21H,1-7,10H2,(H,16,19)
PDB
MMDB

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KEGG

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PC cid
PC sid
UniChem

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Similars

Article
PubMed
n/an/a 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-GST-tagged HDAC6 (unknown origin) assessed as reduction in deacetylation of Ac-Arg-Gly-Lys(Ac)-AMC substrate by fluoresce...


Bioorg Med Chem Lett 24: 5450-4 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.022
BindingDB Entry DOI: 10.7270/Q2B859QH
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50036299
PNG
(CHEMBL3353058)
Show SMILES ONC(=O)c1cc2CN(CCn2c1)C(=O)C1CCCCC1
Show InChI InChI=1S/C15H21N3O3/c19-14(16-21)12-8-13-10-18(7-6-17(13)9-12)15(20)11-4-2-1-3-5-11/h8-9,11,21H,1-7,10H2,(H,16,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 730n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 in human HeLa cells assessed as reduction in K40 hyperacetylation of alpha-tubulin incubated for 6 hrs by immunofluorescence assa...


Bioorg Med Chem Lett 24: 5450-4 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.022
BindingDB Entry DOI: 10.7270/Q2B859QH
More data for this
Ligand-Target Pair