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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Bifunctional epoxide hydrolase 2 | ||
| Ligand | BDBM50383511 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_818494 (CHEMBL2032586) | ||
| IC50 | 2.5±n/a nM | ||
| Citation |  Scherman, MS; North, EJ; Jones, V; Hess, TN; Grzegorzewicz, AE; Kasagami, T; Kim, IH; Merzlikin, O; Lenaerts, AJ; Lee, RE; Jackson, M; Morisseau, C; McNeil, MR Screening a library of 1600 adamantyl ureas for anti-Mycobacterium tuberculosis activity in vitro and for better physical chemical properties for bioavailability. Bioorg Med Chem20:3255-62 (2012) [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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| BDBM50383511 | |||
| n/a | |||
| Name | BDBM50383511 | ||
| Synonyms: | CHEMBL2031795 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C25H34N2O4 | ||
| Mol. Mass. | 426.5485 | ||
| SMILES | COC(=O)c1cccc(O[C@@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)c1 |r,wD:13.16,10.9,TLB:19:20:23:27.26.25,THB:21:22:25:29.20.28,21:20:23.22.27:25,28:20:23:27.26.25,28:26:23:29.21.20,(6.71,-4.95,;6.71,-3.41,;5.38,-2.64,;5.38,-1.1,;4.04,-3.41,;4.04,-4.96,;2.7,-5.72,;1.37,-4.95,;1.38,-3.41,;.05,-2.63,;-1.28,-3.4,;-1.29,-4.94,;-2.62,-5.7,;-3.96,-4.93,;-3.96,-3.39,;-2.62,-2.62,;-5.29,-5.7,;-6.62,-4.93,;-6.62,-3.39,;-7.96,-5.7,;-9.28,-4.93,;-10.3,-6.21,;-11.71,-5.65,;-13.21,-6.07,;-12.01,-4.8,;-12.02,-3.31,;-10.67,-2.83,;-11.72,-4.06,;-9.27,-3.41,;-10.68,-5.28,;2.71,-2.64,)| | ||
| Structure | 
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