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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 = 'BDBM50027593'   
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))
BDBM50027593
PNG
(CHEMBL3356933)
Show SMILES FC(F)(F)c1ccc(CNC(=O)[C@H](CCCCCS)NC(=O)[C@@H]2CCCC(=O)N2)cc1 |r|
Show InChI InChI=1S/C21H28F3N3O3S/c22-21(23,24)15-10-8-14(9-11-15)13-25-19(29)16(5-2-1-3-12-31)27-20(30)17-6-4-7-18(28)26-17/h8-11,16-17,31H,1-7,12-13H2,(H,25,29)(H,26,28)(H,27,30)/t16-,17-/m0/s1
PDB
MMDB

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Article
PubMed
n/an/a 23n/an/an/an/an/an/a



R&D Sigma-Tau Industrie Farmaceutiche Riunite SpA

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 (unknown origin) using fluorogenic tetrapeptide RHK(Ac)K(Ac) substrate by fluorescence assay


J Med Chem 57: 8358-77 (2014)


Article DOI: 10.1021/jm5008209
BindingDB Entry DOI: 10.7270/Q2JW8GGN
More data for this
Ligand-Target Pair