Reaction Details Report a problem with these data
Target
Bifunctional epoxide hydrolase 2
Ligand
BDBM25744
Substrate
n/a
Meas. Tech.
ChEMBL_2247135 (CHEMBL5161345)
IC50
3.7±n/a nM
Citation
 Codony, S; Pont, C; Griñán-Ferré, C; Di Pede-Mattatelli, A; Calvó-Tusell, C; Feixas, F; Osuna, S; Jarné-Ferrer, J; Naldi, M; Bartolini, M; Loza, MI; Brea, J; Pérez, B; Bartra, C; Sanfeliu, C; Juárez-Jiménez, J; Morisseau, C; Hammock, BD; Pallàs, M; Vázquez, S; Muñoz-Torrero, D Discovery and In Vivo Proof of Concept of a Highly Potent Dual Inhibitor of Soluble Epoxide Hydrolase and Acetylcholinesterase for the Treatment of Alzheimer's Disease. J Med Chem 65:4909-4925 (2022) [PubMed] 
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:
BDBM25744
Synonyms:
3-(1-acetylpiperidin-4-yl)-1-[4-(trifluoromethoxy)phenyl]urea | US10383835, Compound 1555 | US8501783, 1555 | Urea-based compound, 25
Type:
Small organic molecule
Emp. Form.:
C15H18F3N3O3
Mol. Mass.:
345.3169
SMILES:
CC(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Structure:
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