Reaction Details Report a problem with these data
Target
Bifunctional epoxide hydrolase 2
Ligand
BDBM25744
Substrate
n/a
Meas. Tech.
ChEMBL_716998 (CHEMBL1671070)
IC50
59±n/a nM
Citation
Anandan, SK; Webb, HK; Chen, D; Wang, YX; Aavula, BR; Cases, S; Cheng, Y; Do, ZN; Mehra, U; Tran, V; Vincelette, J; Waszczuk, J; White, K; Wong, KR; Zhang, LN; Jones, PD; Hammock, BD; Patel, DV; Whitcomb, R; MacIntyre, DE; Sabry, J; Gless, R 1-(1-acetyl-piperidin-4-yl)-3-adamantan-1-yl-urea (AR9281) as a potent, selective, and orally available soluble epoxide hydrolase inhibitor with efficacy in rodent models of hypertension and dysglycemia. Bioorg Med Chem Lett 21:983-8 (2011) [PubMed] Article
More Info.:
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