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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Epoxide hydratase' and Monomerid = 50310795   
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))
BDBM50310795
PNG
(3-methyl-3-phenyl-N-((2'-(trifluoromethyl)biphenyl...)
Show SMILES CC1(CCCN(C1)C(=O)NCc1ccc(cc1)-c1ccccc1C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C27H27F3N2O/c1-26(22-8-3-2-4-9-22)16-7-17-32(19-26)25(33)31-18-20-12-14-21(15-13-20)23-10-5-6-11-24(23)27(28,29)30/h2-6,8-15H,7,16-19H2,1H3,(H,31,33)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase


Bioorg Med Chem Lett 19: 5314-20 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.138
BindingDB Entry DOI: 10.7270/Q2S75GFP
More data for this
Ligand-Target Pair