Reaction Details Report a problem with these data
Target
Bifunctional epoxide hydrolase 2
Ligand
BDBM50445094
Substrate
n/a
Meas. Tech.
ChEMBL_1284105 (CHEMBL3107383)
IC50
204±n/a nM
Citation
 Kim, IH; Lee, IH; Nishiwaki, H; Hammock, BD; Nishi, K Structure-activity relationships of substituted oxyoxalamides as inhibitors of the human soluble epoxide hydrolase. Bioorg Med Chem 22:1163-75 (2014) [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:
BDBM50445094
Synonyms:
CHEMBL3103814
Type:
Small organic molecule
Emp. Form.:
C23H31N3O4
Mol. Mass.:
413.5099
SMILES:
CON(C)C(=O)C(=O)N(C)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 |TLB:21:22:20.25.19:26,THB:21:20:22.23.27:26,23:24:21.22.27:19,23:22:19:24.25.26|
Structure:
Search PDB for entries with ligand similarity: