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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 8' and Ligand = 'BDBM50317956'   
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 8


(Homo sapiens (Human))
BDBM50317956
PNG
(3-(3-(4-benzyl-5-methyl-1-phenethyl-1H-imidazol-2-...)
Show SMILES Cc1c(Cc2ccccc2)nc(-c2cccc(\C=C\C(=O)NO)c2)n1CCc1ccccc1
Show InChI InChI=1S/C28H27N3O2/c1-21-26(20-23-11-6-3-7-12-23)29-28(31(21)18-17-22-9-4-2-5-10-22)25-14-8-13-24(19-25)15-16-27(32)30-33/h2-16,19,33H,17-18,20H2,1H3,(H,30,32)/b16-15+
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Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Takeda San Diego

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC8


Bioorg Med Chem Lett 20: 3138-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.092
BindingDB Entry DOI: 10.7270/Q2514058
More data for this
Ligand-Target Pair