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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Bifunctional epoxide hydrolase 2 | ||
| Ligand | BDBM50566624 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_2101218 (CHEMBL4809614) | ||
| IC50 | 39±n/a nM | ||
| Citation |  Ding, Y; Belyanskaya, S; DeLorey, JL; Messer, JA; Joseph Franklin, G; Centrella, PA; Morgan, BA; Clark, MA; Skinner, SR; Dodson, JW; Li, P; Marino, JP; Israel, DI Discovery of soluble epoxide hydrolase inhibitors through DNA-encoded library technology (ELT). Bioorg Med Chem41:0 (2021) [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: |
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| BDBM50566624 | |||
| n/a | |||
| Name | BDBM50566624 | ||
| Synonyms: | CHEMBL4851172 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C28H34F3N7O | ||
| Mol. Mass. | 541.6111 | ||
| SMILES | CNc1nc(NC[C@H](C)c2ccccc2)nc(NC2CCC(CC2)C(=O)NCc2ccccc2C(F)(F)F)n1 |r,wU:7.7,(18.77,-3.6,;17.44,-4.37,;17.44,-5.91,;18.78,-6.68,;18.78,-8.22,;20.12,-8.99,;21.45,-8.22,;22.78,-8.99,;22.78,-10.53,;24.12,-8.22,;25.45,-9,;26.78,-8.23,;26.78,-6.69,;25.44,-5.92,;24.11,-6.69,;17.45,-8.99,;16.12,-8.22,;14.79,-8.99,;13.45,-8.22,;12.12,-8.99,;10.79,-8.22,;10.79,-6.69,;12.12,-5.9,;13.45,-6.68,;9.45,-5.92,;9.45,-4.38,;8.12,-6.7,;6.78,-5.93,;5.45,-6.71,;4.12,-5.94,;2.79,-6.71,;2.79,-8.26,;4.12,-9.03,;5.46,-8.26,;6.79,-9.02,;7.55,-7.68,;8.33,-9.01,;6.8,-10.56,;16.11,-6.68,)| | ||
| Structure | 
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