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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Epoxide hydratase' and Monomerid = 50301896   
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
Epoxide hydratase


(Homo sapiens (Human))
BDBM50301896
PNG
(CHEMBL578781 | N-(4-(trifluoromethyl)phenyl)isoxaz...)
Show SMILES FC(F)(F)c1ccc(Nc2noc3cccnc23)cc1
Show InChI InChI=1S/C13H8F3N3O/c14-13(15,16)8-3-5-9(6-4-8)18-12-11-10(20-19-12)2-1-7-17-11/h1-7H,(H,18,19)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human sEH


Bioorg Med Chem Lett 19: 5716-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.006
BindingDB Entry DOI: 10.7270/Q2Z0388B
More data for this
Ligand-Target Pair