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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Bifunctional epoxide hydrolase 2 | ||
| Ligand | BDBM50383477 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_818494 (CHEMBL2032586) | ||
| IC50 | 1.6±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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| BDBM50383477 | |||
| n/a | |||
| Name | BDBM50383477 | ||
| Synonyms: | CHEMBL2031924 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C26H36N2O4 | ||
| Mol. Mass. | 440.575 | ||
| SMILES | CCOC(=O)c1ccc(O[C@@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |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,(27.44,-6.3,;27.45,-4.76,;26.11,-3.99,;24.78,-4.75,;24.77,-6.29,;23.45,-3.98,;22.11,-4.74,;20.78,-3.97,;20.79,-2.43,;19.46,-1.65,;18.12,-2.42,;18.11,-3.96,;16.78,-4.72,;15.45,-3.95,;15.45,-2.41,;16.79,-1.64,;14.12,-4.72,;12.78,-3.95,;12.78,-2.41,;11.45,-4.72,;10.12,-3.95,;9.11,-5.23,;7.7,-4.67,;6.2,-5.09,;7.4,-3.82,;7.39,-2.33,;8.74,-1.85,;7.7,-3.08,;10.13,-2.43,;8.73,-4.3,;22.12,-1.66,;23.45,-2.43,)| | ||
| Structure | 
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