Reaction Details  Report a problem with these data
Target
Bifunctional epoxide hydrolase 2
Ligand
BDBM50591342
Substrate
n/a
Meas. Tech.
ChEMBL_2200058 (CHEMBL5112574)
IC50
207±n/a nM
Citation
 Codony, S; Entrena, JM; Calvó-Tusell, C; Jora, B; González-Cano, R; Osuna, S; Corpas, R; Morisseau, C; Pérez, B; Barniol-Xicota, M; Griñán-Ferré, C; Pérez, C; Rodríguez-Franco, MI; Martínez, AL; Loza, MI; Pallàs, M; Verhelst, SHL; Sanfeliu, C; Feixas, F; Hammock, BD; Brea, J; Cobos, EJ; Vázquez, S Synthesis, In Vitro Profiling, and In Vivo Evaluation of Benzohomoadamantane-Based Ureas for Visceral Pain: A New Indication for Soluble Epoxide Hydrolase Inhibitors. J Med Chem 65:13660-13680 (2022) [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:
BDBM50591342
Synonyms:
CHEMBL5203000
Type:
Small organic molecule
Emp. Form.:
C23H31N3O3
Mol. Mass.:
397.5105
SMILES:
CC(=O)N1CCC(CC1)NC(=O)NC12CC3CC(O)(CC(C1)c1ccccc31)C2 |TLB:27:15:20.21.19:28,22:20:15.16.14:28,23:22:21:17.19.28,18:17:21:27.22.15.14,THB:16:15:21:17.19.28,16:17:21:27.22.15.14|
Structure:
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