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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Cytochrome P450 2C9 | ||
| Ligand | BDBM50352080 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_766618 (CHEMBL1827184) | ||
| IC50 | 1000±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 2C9 | |||
| Name: | Cytochrome P450 2C9 | ||
| Synonyms: | (R)-limonene 6-monooxygenase | (S)-limonene 6-monooxygenase | CP2C9_HUMAN | CYP2C10 | CYP2C9 | CYPIIC9 | Cytochrome P450 2C9 (CYP2C9 ) | Cytochrome P450 2C9 (CYP2C9) | P-450MP | P450 MP-4/MP-8 | P450 PB-1 | S-mephenytoin 4-hydroxylase | ||
| Type: | Enzyme | ||
| Mol. Mass.: | 55636.33 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P11712 | ||
| Residue: | 490 | ||
| Sequence: |
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| BDBM50352080 | |||
| n/a | |||
| Name | BDBM50352080 | ||
| Synonyms: | CHEMBL1824248 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C24H40N2O | ||
| Mol. Mass. | 372.5872 | ||
| SMILES | CCCCN[C@H]1CC[C@H](CC1)c1ccc(OCCCN2CCCCC2)cc1 |r,wU:8.11,5.4,(13.77,-38.89,;12.23,-38.87,;11.45,-40.2,;9.91,-40.18,;9.13,-41.51,;7.59,-41.5,;6.8,-42.82,;5.27,-42.81,;4.51,-41.47,;5.28,-40.14,;6.82,-40.16,;2.96,-41.46,;2.18,-42.79,;.65,-42.78,;-.11,-41.44,;-1.65,-41.43,;-2.42,-42.77,;-3.96,-42.76,;-4.73,-41.43,;-6.27,-41.43,;-7.04,-42.75,;-8.58,-42.75,;-9.35,-41.43,;-8.58,-40.09,;-7.04,-40.09,;.65,-40.11,;2.2,-40.12,)| | ||
| Structure | 
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