Reaction Details Report a problem with these data
Target
Bifunctional epoxide hydrolase 2
Ligand
BDBM342686
Substrate
n/a
Meas. Tech.
Biochemical Screening Assay
IC50
1.01±n/a nM
Citation
 Mendez-Perez, M; Breitschopf, K; Lorenz, K; Strobel, H; Wang, L; Schiffer, A; Goerlitzer, J Thienomethylpiperazine derivatives as inhibitors of soluble epoxide hydrolase US Patent  US9776991 Publication Date 10/3/2017 
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:
Human
Description:
P34913
Residue:
555
Sequence:
MTLRAAVFDLDGVLALPAVFGVLGRTEEALALPRGLLNDAFQKGGPEGATTRLMKGEITLSQWIPLMEENCRKCSETAKVCLPKNFSIKEIFDKAISARKINRPMLQAALMLRKKGFTTAILTNTWLDDRAERDGLAQLMCELKMHFDFLIESCQVGMVKPEPQIYKFLLDTLKASPSEVVFLDDIGANLKPARDLGMVTILVQDTDTALKELEKVTGIQLLNTPAPLPTSCNPSDMSHGYVTVKPRVRLHFVELGSGPAVCLCHGFPESWYSWRYQIPALAQAGYRVLAMDMKGYGESSAPPEIEEYCMEVLCKEMVTFLDKLGLSQAVFIGHDWGGMLVWYMALFYPERVRAVASLNTPFIPANPNMSPLESIKANPVFDYQLYFQEPGVAEAELEQNLSRTFKSLFRASDESVLSMHKVCEAGGLFVNSPEEPSLSRMVTEEEIQFYVQQFKKSGFRGPLNWYRNMERNWKWACKSLGRKILIPALMVTAEKDFVLVPQMSQHMEDWIPHLKRGHIEDCGHWTQMDKPTEVNQILIKWLDSDARNPPVVSKM
  
Inhibitor
Name:
BDBM342686
Synonyms:
5-[3-Oxo-4-(2,2,2-trifluoro-ethyl)-piperazin-1-ylmethyl]-thiophene-2-carboxylic acid 4-methoxy-2-trifluoro-methoxy-benzylamide | US9776991, Example 56
Type:
Small organic molecule
Emp. Form.:
C21H21F6N3O4S
Mol. Mass.:
525.465
SMILES:
COc1ccc(CNC(=O)c2ccc(CN3CCN(CC(F)(F)F)C(=O)C3)s2)c(OC(F)(F)F)c1
Structure:
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