Search and Browse
Download
Enter Data
| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Cytochrome P450 2C19 | ||
| Ligand | BDBM50445571 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1285724 (CHEMBL3106834) | ||
| IC50 | >40000±n/a nM | ||
| Citation |  Ye, XY; Yoon, D; Chen, SY; Nayeem, A; Golla, R; Seethala, R; Wang, M; Harper, T; Sleczka, BG; Apedo, A; Li, YX; He, B; Kirby, M; Gordon, DA; Robl, JA Synthesis and structure-activity relationship of 2-adamantylmethyl tetrazoles as potent and selective inhibitors of human 11ß-hydroxysteroid dehydrogenase type 1 (11ß-HSD1). Bioorg Med Chem Lett24:654-60 (2014) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Cytochrome P450 2C19 | |||
| Name: | Cytochrome P450 2C19 | ||
| Synonyms: | (R)-limonene 6-monooxygenase | (S)-limonene 6-monooxygenase | (S)-limonene 7-monooxygenase | CP2CJ_HUMAN | CYP2C19 | CYPIIC17 | CYPIIC19 | Cytochrome P450 2C19 (CYP2C19) | Cytochrome P450 2C19 [I331V] | Cytochrome P450-11A | Cytochrome P450-254C | Fenbendazole monooxygenase (4'-hydroxylating) | Mephenytoin 4-hydroxylase | P450-11A | P450-254C | ||
| Type: | Enzyme | ||
| Mol. Mass.: | 55935.47 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P33261 | ||
| Residue: | 490 | ||
| Sequence: |
| ||
| BDBM50445571 | |||
| n/a | |||
| Name | BDBM50445571 | ||
| Synonyms: | CHEMBL3103437 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C24H26N4 | ||
| Mol. Mass. | 370.49 | ||
| SMILES | C(c1nnn[nH]1)C1(C2CC3CC(C2)CC1C3)c1ccc(cc1)-c1ccccc1 |TLB:15:14:12:8.9.10,16:6:12:8.9.10,0:6:8.15.9:13.11.12,THB:15:9:6.14.13:12,10:9:6:13.11.12,10:11:6:8.15.9,16:6:8.15.9:13.11.12,0:6:12:8.9.10,(28.03,-1.86,;26.68,-2.61,;26.74,-4.15,;25.29,-4.68,;24.33,-3.46,;25.19,-2.18,;29.37,-2.66,;30.57,-1.38,;31.89,-1.87,;33.29,-1.52,;33.31,.02,;31.9,.6,;30.56,.11,;30.86,-.65,;30.87,-2.24,;32.28,-2.8,;29.36,-4.2,;28.02,-4.95,;28.01,-6.49,;29.34,-7.26,;30.67,-6.5,;30.68,-4.96,;29.33,-8.8,;27.99,-9.57,;27.98,-11.11,;29.31,-11.89,;30.66,-11.12,;30.66,-9.58,)| | ||
| Structure | 
| ||