Reaction Details Report a problem with these data
Target
Bifunctional epoxide hydrolase 2
Ligand
BDBM50525800
Substrate
n/a
Meas. Tech.
ChEMBL_1898247 (CHEMBL4400282)
IC50
8.0±n/a nM
Citation
 Codony, S; Valverde, E; Leiva, R; Brea, J; Isabel Loza, M; Morisseau, C; Hammock, BD; Vázquez, S Exploring the size of the lipophilic unit of the soluble epoxide hydrolase inhibitors. Bioorg Med Chem 27:0 (2019) [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:
BDBM50525800
Synonyms:
CHEMBL4463408
Type:
Small organic molecule
Emp. Form.:
C21H23F3N2O
Mol. Mass.:
376.4153
SMILES:
Fc1ccc(NC(=O)NC2C3CC4C5CC6CC4C2C(C6)C5C3)c(F)c1F |TLB:17:12:22:19.18.9,17:18:13.12.11:22,14:13:19.17.18:11.10.22,14:13:22:19.18.9,16:17:13:11.10.22,16:17:21:14.15.20,16:15:21:12.17.18,22:21:14:12.17.16,20:19:13:11.10.22,20:19:13.12.17:10.22.9,20:19:13.12.11:22,THB:18:19:14:12.17.16,18:17:14:21.19.20,11:12:21:14.15.20,11:12:21.19.18:14.16.15,11:12:14:21.19.20,9:18:13:11.10.22,9:10:13:19.17.18,9:18:21:14.15.20,8:9:13.12.11:22,(36.97,-28.49,;35.63,-27.72,;34.3,-28.49,;32.97,-27.72,;32.97,-26.18,;31.64,-25.41,;30.3,-26.18,;30.3,-27.72,;28.97,-25.41,;27.63,-26.18,;26.23,-25.6,;25.19,-26.84,;25.2,-28.42,;23.7,-28.84,;23.69,-30.38,;25.02,-31.15,;26.6,-30.52,;26.61,-28.99,;27.62,-27.71,;26.22,-28.05,;26.23,-29.73,;24.9,-27.56,;24.89,-26.08,;34.3,-25.41,;34.29,-23.87,;35.63,-26.17,;36.96,-25.4,)|
Structure:
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