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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 4' and Ligand = 'BDBM50245988'   
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 4


(Homo sapiens (Human))
BDBM50245988
PNG
(4-((5-(5-(2,2,2-trifluoroacetyl)thiophen-2-yl)-1,2...)
Show SMILES FC(F)(F)C(=O)c1ccc(s1)-c1nc(CN2C(=O)COc3ccccc23)no1
Show InChI InChI=1S/C17H10F3N3O4S/c18-17(19,20)15(25)11-5-6-12(28-11)16-21-13(22-27-16)7-23-9-3-1-2-4-10(9)26-8-14(23)24/h1-6H,7-8H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 15n/an/an/an/an/an/a



IRBM-Merck Research Laboratories Rome

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC4 catalytic domain (unknown origin) expressed in Escherichia coli


Bioorg Med Chem Lett 18: 6083-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.076
BindingDB Entry DOI: 10.7270/Q2TD9X6G
More data for this
Ligand-Target Pair