Reaction Details Report a problem with these data
Target
Bifunctional epoxide hydrolase 2
Ligand
BDBM50194498
Substrate
n/a
Meas. Tech.
ChEMBL_444681 (CHEMBL894930)
IC50
0.9±n/a nM
Citation
 Hwang, SH; Tsai, HJ; Liu, JY; Morisseau, C; Hammock, BD Orally bioavailable potent soluble epoxide hydrolase inhibitors. J Med Chem 50:3825-40 (2007) [PubMed]  Article 
Target
Name:
Bifunctional epoxide hydrolase 2
Synonyms:
Cytosolic epoxide hydrolase 2 | EBifunctional epoxide hydrolase 2 | EPHX2 | Epoxide hydratase | HYES_HUMAN | Lipid-phosphate phosphatase | Soluble epoxide hydrolase (sEH) | epoxide hydrolase 2, cytoplasmic
Type:
Enzyme
Mol. Mass.:
62613.07
Organism:
Homo sapiens (Human)
Description:
P34913
Residue:
555
Sequence:
MTLRAAVFDLDGVLALPAVFGVLGRTEEALALPRGLLNDAFQKGGPEGATTRLMKGEITLSQWIPLMEENCRKCSETAKVCLPKNFSIKEIFDKAISARKINRPMLQAALMLRKKGFTTAILTNTWLDDRAERDGLAQLMCELKMHFDFLIESCQVGMVKPEPQIYKFLLDTLKASPSEVVFLDDIGANLKPARDLGMVTILVQDTDTALKELEKVTGIQLLNTPAPLPTSCNPSDMSHGYVTVKPRVRLHFVELGSGPAVCLCHGFPESWYSWRYQIPALAQAGYRVLAMDMKGYGESSAPPEIEEYCMEVLCKEMVTFLDKLGLSQAVFIGHDWGGMLVWYMALFYPERVRAVASLNTPFIPANPNMSPLESIKANPVFDYQLYFQEPGVAEAELEQNLSRTFKSLFRASDESVLSMHKVCEAGGLFVNSPEEPSLSRMVTEEEIQFYVQQFKKSGFRGPLNWYRNMERNWKWACKSLGRKILIPALMVTAEKDFVLVPQMSQHMEDWIPHLKRGHIEDCGHWTQMDKPTEVNQILIKWLDSDARNPPVVSKM
  
Inhibitor
Name:
BDBM50194498
Synonyms:
1-[4-(4-fluoro-phenoxy)-cyclohexyl]-3-(4-trifluoromethoxy-phenyl)-urea | CHEMBL221014 | cis-1-[4-(4-fluorophenoxy)cyclohexyl]-3-(4-trifluoromethoxyphenyl)urea
Type:
Small organic molecule
Emp. Form.:
C20H20F4N2O3
Mol. Mass.:
412.378
SMILES:
Fc1ccc(O[C@@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |wD:6.5,9.12,(8.62,-5.78,;7.29,-5,;5.95,-5.77,;4.62,-5,;4.63,-3.45,;3.29,-2.68,;1.96,-3.45,;1.96,-4.99,;.63,-5.75,;-.7,-4.99,;-.7,-3.45,;.63,-2.67,;-2.03,-5.76,;-3.37,-4.99,;-3.37,-3.45,;-4.7,-5.76,;-6.03,-4.99,;-6.03,-3.45,;-7.36,-2.68,;-8.7,-3.46,;-10.03,-2.69,;-10.04,-1.15,;-10.05,.4,;-8.5,-1.14,;-11.58,-1.16,;-8.69,-5,;-7.36,-5.76,;5.95,-2.69,;7.29,-3.46,)|
Structure:
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