Reaction Details Report a problem with these data
Target
Bifunctional epoxide hydrolase 2
Ligand
BDBM50435764
Substrate
n/a
Meas. Tech.
ChEMBL_965765 (CHEMBL2393704)
IC50
0.500000±n/a nM
Citation
 Thalji, RK; McAtee, JJ; Belyanskaya, S; Brandt, M; Brown, GD; Costell, MH; Ding, Y; Dodson, JW; Eisennagel, SH; Fries, RE; Gross, JW; Harpel, MR; Holt, DA; Israel, DI; Jolivette, LJ; Krosky, D; Li, H; Lu, Q; Mandichak, T; Roethke, T; Schnackenberg, CG; Schwartz, B; Shewchuk, LM; Xie, W; Behm, DJ; Douglas, SA; Shaw, AL; Marino, JP Discovery of 1-(1,3,5-triazin-2-yl)piperidine-4-carboxamides as inhibitors of soluble epoxide hydrolase. Bioorg Med Chem Lett 23:3584-8 (2013) [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:
BDBM50435764
Synonyms:
CHEMBL2392692
Type:
Small organic molecule
Emp. Form.:
C19H22BrF3N6O2
Mol. Mass.:
503.316
SMILES:
CNc1nc(C)nc(n1)N1CCC(CC1)C(=O)NCc1ccc(Br)cc1OC(F)(F)F
Structure:
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