Reaction Details Report a problem with these data
Target
Bifunctional epoxide hydrolase 2
Ligand
BDBM50129698
Substrate
n/a
Meas. Tech.
ChEMBL_1523758 (CHEMBL3631996)
IC50
3.8±n/a nM
Citation
 Kim, IH; Park, YK; Nishiwaki, H; Hammock, BD; Nishi, K Structure-activity relationships of amide-phosphonate derivatives as inhibitors of the human soluble epoxide hydrolase. Bioorg Med Chem 23:7199-210 (2015) [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:
BDBM50129698
Synonyms:
CHEMBL3628777
Type:
Small organic molecule
Emp. Form.:
C27H38F6N3O4P
Mol. Mass.:
613.5725
SMILES:
CC(C)(C)C(Nc1ccc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1)P(=O)(OCC(F)(F)F)OCC(F)(F)F |TLB:22:17:24:21.20.23,22:21:24:18.17.16,THB:20:19:16:22.21.23,20:21:18.19.24:16|
Structure:
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