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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Epoxide hydratase' and Monomerid = 50301888   
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))
BDBM50301888
PNG
(CHEMBL579041 | N-(4-(trifluoromethyl)phenyl)-1H-in...)
Show SMILES FC(F)(F)c1ccc(Nc2n[nH]c3ccccc23)cc1
Show InChI InChI=1S/C14H10F3N3/c15-14(16,17)9-5-7-10(8-6-9)18-13-11-3-1-2-4-12(11)19-20-13/h1-8H,(H2,18,19,20)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/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