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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 = 'BDBM50216519'   
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))
BDBM50216519
PNG
(3-(2-(4-tert-butylbenzyl)-3-oxoisoindolin-5-yl)-N-...)
Show SMILES CC(C)(C)c1ccc(CN2Cc3ccc(\C=C\C(=O)NO)cc3C2=O)cc1
Show InChI InChI=1S/C22H24N2O3/c1-22(2,3)18-9-5-16(6-10-18)13-24-14-17-8-4-15(7-11-20(25)23-27)12-19(17)21(24)26/h4-12,27H,13-14H2,1-3H3,(H,23,25)/b11-7+
PDB
MMDB

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Reactome pathway
KEGG

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 990n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6


Bioorg Med Chem Lett 17: 4895-900 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.038
BindingDB Entry DOI: 10.7270/Q2SF2VW0
More data for this
Ligand-Target Pair