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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Bifunctional epoxide hydrolase 2 | ||
| Ligand | BDBM50566618 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_2101218 (CHEMBL4809614) | ||
| IC50 | 27±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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| BDBM50566618 | |||
| n/a | |||
| Name | BDBM50566618 | ||
| Synonyms: | CHEMBL4868985 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C35H41N7O3S | ||
| Mol. Mass. | 639.81 | ||
| SMILES | OC(=O)c1ccc(CNC(=O)C2CCC(CC2)Nc2nc(NCCSCc3ccccc3)nc(NCCc3ccccc3)n2)cc1 |(35.66,-10.93,;36.99,-11.7,;36.99,-13.24,;38.32,-10.93,;39.66,-11.7,;41,-10.93,;40.99,-9.38,;42.32,-8.61,;43.66,-9.37,;44.99,-8.6,;44.98,-7.06,;46.33,-9.36,;46.33,-10.9,;47.66,-11.66,;48.99,-10.89,;48.99,-9.35,;47.65,-8.58,;50.32,-11.66,;51.66,-10.89,;52.99,-11.67,;54.32,-10.9,;55.65,-11.67,;56.99,-10.9,;58.32,-11.67,;59.65,-10.9,;60.99,-11.67,;62.32,-10.9,;63.65,-11.67,;64.98,-10.91,;64.99,-9.36,;63.64,-8.59,;62.32,-9.37,;54.32,-9.36,;52.98,-8.59,;52.97,-7.05,;54.3,-6.27,;54.3,-4.73,;55.63,-3.96,;56.97,-4.73,;58.3,-3.96,;58.29,-2.41,;56.95,-1.65,;55.62,-2.43,;51.65,-9.36,;39.65,-8.62,;38.33,-9.39,)| | ||
| Structure | 
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