Reaction Details Report a problem with these data
Target
Bifunctional epoxide hydrolase 2
Ligand
BDBM50241160
Substrate
n/a
Meas. Tech.
ChEMBL_1669528 (CHEMBL4019416)
IC50
40±n/a nM
Citation
 Schmidt, J; Rotter, M; Weiser, T; Wittmann, S; Weizel, L; Kaiser, A; Heering, J; Goebel, T; Angioni, C; Wurglics, M; Paulke, A; Geisslinger, G; Kahnt, A; Steinhilber, D; Proschak, E; Merk, D A Dual Modulator of Farnesoid X Receptor and Soluble Epoxide Hydrolase To Counter Nonalcoholic Steatohepatitis. J Med Chem 60:7703-7724 (2017) [PubMed]  Article 
Target
Name:
Bifunctional epoxide hydrolase 2
Synonyms:
Soluble epoxide hydrolase (sEH) | epoxide hydrolase 2, cytoplasmic | Cytosolic epoxide hydrolase 2 | Lipid-phosphate phosphatase | HYES_HUMAN | EPHX2 | EBifunctional epoxide hydrolase 2 | Epoxide hydratase
Type:
Enzyme
Mol. Mass.:
62613.07
Organism:
Human
Description:
P34913
Residue:
555
Sequence:
MTLRAAVFDLDGVLALPAVFGVLGRTEEALALPRGLLNDAFQKGGPEGATTRLMKGEITLSQWIPLMEENCRKCSETAKVCLPKNFSIKEIFDKAISARKINRPMLQAALMLRKKGFTTAILTNTWLDDRAERDGLAQLMCELKMHFDFLIESCQVGMVKPEPQIYKFLLDTLKASPSEVVFLDDIGANLKPARDLGMVTILVQDTDTALKELEKVTGIQLLNTPAPLPTSCNPSDMSHGYVTVKPRVRLHFVELGSGPAVCLCHGFPESWYSWRYQIPALAQAGYRVLAMDMKGYGESSAPPEIEEYCMEVLCKEMVTFLDKLGLSQAVFIGHDWGGMLVWYMALFYPERVRAVASLNTPFIPANPNMSPLESIKANPVFDYQLYFQEPGVAEAELEQNLSRTFKSLFRASDESVLSMHKVCEAGGLFVNSPEEPSLSRMVTEEEIQFYVQQFKKSGFRGPLNWYRNMERNWKWACKSLGRKILIPALMVTAEKDFVLVPQMSQHMEDWIPHLKRGHIEDCGHWTQMDKPTEVNQILIKWLDSDARNPPVVSKM
  
Inhibitor
Name:
BDBM50241160
Synonyms:
CHEMBL4095371
Type:
Small organic molecule
Emp. Form.:
C18H21ClN2O
Mol. Mass.:
316.13
SMILES:
CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(N)cc1Cl
Structure:
Search PDB for entries with ligand similarity: