Reaction Details Report a problem with these data
Target
Bifunctional epoxide hydrolase 2
Ligand
BDBM342658
Substrate
n/a
Meas. Tech.
Biochemical Screening Assay
IC50
0.800±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:
Homo sapiens (Human)
Description:
P34913
Residue:
555
Sequence:
MTLRAAVFDLDGVLALPAVFGVLGRTEEALALPRGLLNDAFQKGGPEGATTRLMKGEITLSQWIPLMEENCRKCSETAKVCLPKNFSIKEIFDKAISARKINRPMLQAALMLRKKGFTTAILTNTWLDDRAERDGLAQLMCELKMHFDFLIESCQVGMVKPEPQIYKFLLDTLKASPSEVVFLDDIGANLKPARDLGMVTILVQDTDTALKELEKVTGIQLLNTPAPLPTSCNPSDMSHGYVTVKPRVRLHFVELGSGPAVCLCHGFPESWYSWRYQIPALAQAGYRVLAMDMKGYGESSAPPEIEEYCMEVLCKEMVTFLDKLGLSQAVFIGHDWGGMLVWYMALFYPERVRAVASLNTPFIPANPNMSPLESIKANPVFDYQLYFQEPGVAEAELEQNLSRTFKSLFRASDESVLSMHKVCEAGGLFVNSPEEPSLSRMVTEEEIQFYVQQFKKSGFRGPLNWYRNMERNWKWACKSLGRKILIPALMVTAEKDFVLVPQMSQHMEDWIPHLKRGHIEDCGHWTQMDKPTEVNQILIKWLDSDARNPPVVSKM
  
Inhibitor
Name:
BDBM342658
Synonyms:
5-[4-(2,4-Dimethyl-6-oxo-6H-pyran-3-carbonyl)-piperazin-1-ylmethyl]-4-methyl-thiophene-2-carboxylic acid (3,3-dimethyl-butyl)-amide | US9776991, Example 159 | US9776991, Example 28
Type:
Small organic molecule
Emp. Form.:
C25H35N3O4S
Mol. Mass.:
473.628
SMILES:
Cc1cc(sc1CN1CCN(CC1)C(=O)c1c(C)cc(=O)oc1C)C(=O)NCCC(C)(C)C
Structure:
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