Reaction Details Report a problem with these data
Target
Bifunctional epoxide hydrolase 2
Ligand
BDBM50129686
Substrate
n/a
Meas. Tech.
ChEMBL_1523758 (CHEMBL3631996)
IC50
1.9±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:
BDBM50129686
Synonyms:
CHEMBL3629068
Type:
Small organic molecule
Emp. Form.:
C28H45N2O4P
Mol. Mass.:
504.6417
SMILES:
CCOP(=O)(OCC)C(Nc1ccc(CNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1)C(C)(C)C |TLB:26:21:28:25.24.27,26:25:28:22.21.20,THB:24:23:20:26.25.27,24:25:22.23.28:20|
Structure:
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