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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 = 'BDBM50462238'   
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))
BDBM50462238
PNG
(CHEMBL4247905)
Show SMILES CC(C)c1cc(C(=O)N2CCc3cc(NC(=O)CCCCCCCC(=O)NO)ccc23)c(O)cc1O
Show InChI InChI=1S/C27H35N3O6/c1-17(2)20-15-21(24(32)16-23(20)31)27(35)30-13-12-18-14-19(10-11-22(18)30)28-25(33)8-6-4-3-5-7-9-26(34)29-36/h10-11,14-17,31-32,36H,3-9,12-13H2,1-2H3,(H,28,33)(H,29,34)
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 9.25E+3n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 using RHKK(Ac) as substrate


Eur J Med Chem 150: 667-677 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.006
BindingDB Entry DOI: 10.7270/Q2XW4NGM
More data for this
Ligand-Target Pair