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Target
Bifunctional epoxide hydrolase 2
Ligand
BDBM50591531
Substrate
n/a
Meas. Tech.
ChEMBL_2200646 (CHEMBL5113162)
IC50
790±n/a nM
Citation
 Cerqua, I; Musella, S; Peltner, LK; D'Avino, D; Di Sarno, V; Granato, E; Vestuto, V; Di Matteo, R; Pace, S; Ciaglia, T; Bilancia, R; Smaldone, G; Di Matteo, F; Di Micco, S; Bifulco, G; Pepe, G; Basilicata, MG; Rodriquez, M; Gomez-Monterrey, IM; Campiglia, P; Ostacolo, C; Roviezzo, F; Werz, O; Rossi, A; Bertamino, A Discovery and Optimization of Indoline-Based Compounds as Dual 5-LOX/sEH Inhibitors:  J Med Chem 65:14456-14480 (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:
BDBM50591531
Synonyms:
CHEMBL5193145
Type:
Small organic molecule
Emp. Form.:
C21H27N3OS
Mol. Mass.:
369.524
SMILES:
CC(C)(C)CNC(=S)Nc1ccc2N(Cc3ccc(O)cc3)CCc2c1
Structure:
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