Reaction Details Report a problem with these data
Target
Bifunctional epoxide hydrolase 2
Ligand
BDBM50560753
Substrate
n/a
Meas. Tech.
ChEMBL_2073000 (CHEMBL4728534)
IC50
496±n/a nM
Citation
Codony, S; Pujol, E; Pizarro, J; Feixas, F; Valverde, E; Loza, MI; Brea, JM; Saez, E; Oyarzabal, J; Pineda-Lucena, A; Pérez, B; Pérez, C; Rodríguez-Franco, MI; Leiva, R; Osuna, S; Morisseau, C; Hammock, BD; Vázquez-Carrera, M; Vázquez, S 2-Oxaadamant-1-yl Ureas as Soluble Epoxide Hydrolase Inhibitors: J Med Chem 63:9237-9257 (2020) [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:
BDBM50560753
Synonyms:
CHEMBL4746168
Type:
Small organic molecule
Emp. Form.:
C20H31N7O2
Mol. Mass.:
401.5058
SMILES:
CNc1nc(C)nc(n1)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)O1)C2 |TLB:18:19:22.21.26:24,THB:20:21:24:28.19.27,20:19:22.21.26:24,27:19:22:26.25.24,27:25:22:28.20.19,18:19:22:26.25.24|