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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Cytochrome P450 2D6 | ||
| Ligand | BDBM50352095 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_766616 (CHEMBL1827182) | ||
| IC50 | >100000±n/a nM | ||
| Citation |  Labeeuw, O; Levoin, N; Poupardin-Olivier, O; Calmels, T; Ligneau, X; Berrebi-Bertrand, I; Robert, P; Lecomte, JM; Schwartz, JC; Capet, M Novel and highly potent histamine H3 receptor ligands. Part 2: exploring the cyclohexylamine-based series. Bioorg Med Chem Lett21:5384-8 (2011) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Cytochrome P450 2D6 | |||
| Name: | Cytochrome P450 2D6 | ||
| Synonyms: | CP2D6_HUMAN | CYP2D6 | CYP2DL1 | CYPIID6 | Cytochrome P450 2D6 (CYP2D6) | Debrisoquine 4-hydroxylase | P450-DB1 | ||
| Type: | Protein | ||
| Mol. Mass.: | 55774.82 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P10635 | ||
| Residue: | 497 | ||
| Sequence: |
| ||
| BDBM50352095 | |||
| n/a | |||
| Name | BDBM50352095 | ||
| Synonyms: | CHEMBL1824235 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C24H38N2O | ||
| Mol. Mass. | 370.5713 | ||
| SMILES | C(COc1ccc(cc1)[C@H]1CC[C@@H](CC1)N1CCCC1)CN1CCCCC1 |r,wU:12.16,wD:9.9,(16.8,-5.71,;18.34,-5.71,;19.11,-4.38,;20.65,-4.38,;21.42,-5.73,;22.95,-5.73,;23.73,-4.4,;22.96,-3.07,;21.42,-3.06,;25.27,-4.42,;26.03,-5.76,;27.57,-5.77,;28.35,-4.44,;27.59,-3.1,;26.05,-3.09,;29.89,-4.46,;30.79,-5.71,;32.25,-5.25,;32.27,-3.71,;30.81,-3.22,;16.03,-4.38,;14.49,-4.37,;13.73,-5.7,;12.19,-5.7,;11.41,-4.37,;12.19,-3.04,;13.73,-3.04,)| | ||
| Structure | 
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