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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 = 'BDBM50555464'   
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))
BDBM50555464
PNG
(CHEMBL4744689)
Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2ccn(CCCCCCC(=O)NO)c2n1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 cells using fluorogenic HDAC substrate 3 measured a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.7b01465
BindingDB Entry DOI: 10.7270/Q2765K0S
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50555464
PNG
(CHEMBL4744689)
Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2ccn(CCCCCCC(=O)NO)c2n1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 220n/an/an/an/a


TBA

Assay Description
Inhibition of HDAC6 in human MCF7 cells assessed as increase in acetylated alpha-tubulin at Lys40 residue incubated for 3 hrs by ELISA


Citation and Details

Article DOI: 10.1021/acs.jmedchem.7b01465
BindingDB Entry DOI: 10.7270/Q2765K0S
More data for this
Ligand-Target Pair