Brief Information of the Compound and Protein
Compound Name
(1R,3S)-N-[[4-cyano-2-(trifluoromethyl)phenyl]methyl]-3-[[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide
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PubChem ID
CID: 59448236
Canonical SMILES
CNc1nc(C)nc(N[C@H]2CCC[C@H](C2)C(=O)NCc2ccc(cc2C(F)(F)F)C#N)n1
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Compound Formula C21H24F3N7O
Compound Structure
Protein Name
Bifunctional epoxide hydrolase 2
Protein Classification
Enzyme
>
Protease
>
Serine protease
>
Serine protease SC clan
>
Serine protease S33 family
Uniprot ID
P34913
Gene Name
EPHX2
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
Ki = 24 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 0.66 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 0.027 nM
2 IC50 = 0.028 nM
3 IC50 = 0.9 nM
4 IC50 = 1.585 nM
5 IC50 = 110 nM