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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 = 'BDBM50361253'   
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))
BDBM50361253
PNG
(CHEMBL1934895)
Show SMILES ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccc(I)cc1
Show InChI InChI=1S/C14H7F12IN2O3/c15-9(16,7(30)28-6-3-1-5(27)2-4-6)11(19,20)13(23,24)14(25,26)12(21,22)10(17,18)8(31)29-32/h1-4,32H,(H,28,30)(H,29,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>5.00E+4n/an/an/an/an/an/an/an/a



University of Applied Sciences Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human HDAC4 using Boc-Lys(trifluoroacetyl)-AMC as substrate preincubated for 30 mins followed by substrate addition measured after 60 m...


Bioorg Med Chem Lett 27: 1508-1512 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.050
BindingDB Entry DOI: 10.7270/Q2JD502H
More data for this
Ligand-Target Pair