Reaction Details Report a problem with these data
Target
Bifunctional epoxide hydrolase 2
Ligand
BDBM50194491
Substrate
n/a
Meas. Tech.
ChEMBL_424419 (CHEMBL910697)
IC50
940±n/a nM
Citation
 Hwang, SH; Morisseau, C; Do, Z; Hammock, BD Solid-phase combinatorial approach for the optimization of soluble epoxide hydrolase inhibitors. Bioorg Med Chem Lett 16:5773-7 (2006) [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:
BDBM50194491
Synonyms:
1-(2,6-dichloro-phenyl)-3-[4-(4-fluoro-phenoxy)-cyclohexyl]-urea | CHEMBL434749
Type:
Small organic molecule
Emp. Form.:
C19H19Cl2FN2O2
Mol. Mass.:
397.271
SMILES:
Fc1ccc(O[C@@H]2CC[C@@H](CC2)NC(=O)Nc2c(Cl)cccc2Cl)cc1 |wD:6.5,9.12,(8.18,-20.05,;6.88,-19.22,;5.57,-20.04,;4.27,-19.21,;4.28,-17.57,;2.98,-16.74,;1.68,-17.56,;1.68,-19.2,;.38,-20.02,;-.92,-19.2,;-.92,-17.56,;.38,-16.73,;-2.22,-20.03,;-3.52,-19.2,;-3.53,-17.56,;-4.82,-20.03,;-6.13,-19.21,;-7.42,-20.04,;-7.41,-21.54,;-8.72,-19.22,;-8.73,-17.57,;-7.43,-16.75,;-6.12,-17.57,;-4.81,-16.84,;5.58,-16.75,;6.88,-17.57,)|
Structure:
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