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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Bifunctional epoxide hydrolase 2 | ||
| Ligand | BDBM50454595 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1752865 (CHEMBL4187625) | ||
| IC50 | 4.0±n/a nM | ||
| Citation |  Kodani, SD; Bhakta, S; Hwang, SH; Pakhomova, S; Newcomer, ME; Morisseau, C; Hammock, BD Identification and optimization of soluble epoxide hydrolase inhibitors with dual potency towards fatty acid amide hydrolase. Bioorg Med Chem Lett28:762-768 (2018) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Bifunctional epoxide hydrolase 2 | |||
| 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: |
| ||
| BDBM50454595 | |||
| n/a | |||
| Name | BDBM50454595 | ||
| Synonyms: | CHEMBL4214874 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C23H23F3N4O4 | ||
| Mol. Mass. | 476.4483 | ||
| SMILES | Cc1nnc(o1)-c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |r,wU:11.11,wD:14.18,(78.39,-21.64,;76.86,-21.8,;76.09,-23.13,;74.58,-22.81,;74.42,-21.28,;75.83,-20.65,;73.09,-20.51,;71.75,-21.28,;70.42,-20.5,;70.43,-18.97,;69.1,-18.19,;67.76,-18.96,;67.75,-20.5,;66.43,-21.27,;65.1,-20.49,;65.08,-18.96,;66.43,-18.19,;63.76,-21.26,;62.43,-20.49,;62.43,-18.95,;61.1,-21.27,;59.76,-20.5,;58.43,-21.27,;57.09,-20.5,;57.09,-18.95,;55.76,-18.18,;55.76,-16.64,;55.76,-15.24,;57.01,-15.63,;54.51,-15.63,;58.42,-18.18,;59.76,-18.95,;71.75,-18.2,;73.08,-18.96,)| | ||
| Structure | 
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