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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 = 'BDBM50259813'   
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))
BDBM50259813
PNG
(CHEMBL4072479)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)c1cn(c2ccccc12)S(=O)(=O)c1cccc(\C=C\C(=O)NO)c1
Show InChI InChI=1S/C27H24N2O8S/c1-35-23-14-18(15-24(36-2)27(23)37-3)26(31)21-16-29(22-10-5-4-9-20(21)22)38(33,34)19-8-6-7-17(13-19)11-12-25(30)28-32/h4-16,32H,1-3H3,(H,28,30)/b12-11+
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 792n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6 using fluorogenic substrate by fluorescence assay


Eur J Med Chem 125: 1268-1278 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.033
BindingDB Entry DOI: 10.7270/Q2XD145D
More data for this
Ligand-Target Pair