Reaction Details Report a problem with these data
Target
Bifunctional epoxide hydrolase 2
Ligand
BDBM50241160
Substrate
n/a
Meas. Tech.
ChEMBL_2150272 (CHEMBL5034734)
IC50
40±n/a nM
Citation
 Helmstädter, M; Kaiser, A; Brunst, S; Schmidt, J; Ronchetti, R; Weizel, L; Proschak, E; Merk, D Second-Generation Dual FXR/sEH Modulators with Optimized Pharmacokinetics. J Med Chem 64:9525-9536 (2021) [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: