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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Bifunctional epoxide hydrolase 2 | ||
| Ligand | BDBM50217479 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_818494 (CHEMBL2032586) | ||
| IC50 | 2.7±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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| BDBM50217479 | |||
| n/a | |||
| Name | BDBM50217479 | ||
| Synonyms: | CHEMBL242256 | trans-1-adamantan-1-yl-3-(4-methoxycyclohexyl)urea | ||
| Type | Small organic molecule | ||
| Emp. Form. | C18H30N2O2 | ||
| Mol. Mass. | 306.443 | ||
| SMILES | CO[C@H]1CC[C@@H](CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |wU:2.1,wD:5.8,TLB:11:12:15.14.19:17,THB:13:14:17:21.12.20,13:12:15.14.19:17,20:12:15:19.18.17,20:18:15:21.13.12,11:12:15:19.18.17,(16.68,-2.51,;15.14,-2.57,;14.42,-3.93,;15.24,-5.23,;14.52,-6.59,;12.97,-6.64,;12.16,-5.35,;12.88,-3.98,;12.26,-8.01,;10.72,-8.07,;9.9,-6.77,;10,-9.43,;8.46,-9.49,;7.45,-10.77,;6.04,-10.21,;4.55,-10.63,;5.74,-9.35,;5.73,-7.86,;7.08,-7.39,;6.04,-8.62,;8.48,-7.96,;7.07,-9.84,)| | ||
| Structure | 
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