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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 6' and Ligand = 'BDBM50467413'   
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))
BDBM50467413
PNG
(CHEMBL4290748)
Show SMILES Cl.CC(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(OCCCCCC(=O)NO)cc2)n1
Show InChI InChI=1S/C24H27N5O4/c1-17(30)26-19-8-6-18(7-9-19)22-14-15-25-24(28-22)27-20-10-12-21(13-11-20)33-16-4-2-3-5-23(31)29-32/h6-15,32H,2-5,16H2,1H3,(H,26,30)(H,29,31)(H,25,27,28)
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 1.30n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin) using Arg-His-Lys-Lys(Ac) as substrate preincubated with enzyme followed by substrate addition for 2 hrs and mea...


Eur J Med Chem 158: 593-619 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.024
BindingDB Entry DOI: 10.7270/Q2Z3229Z
More data for this
Ligand-Target Pair