Search and Browse
Download
Enter Data
| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Cytochrome P450 2C19 | ||
| Ligand | BDBM50354475 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_771433 (CHEMBL1837193) | ||
| IC50 | 770±n/a nM | ||
| Citation |  Sun, X; Qiu, J; Strong, SA; Green, LS; Wasley, JW; Blonder, JP; Colagiovanni, DB; Mutka, SC; Stout, AM; Richards, JP; Rosenthal, GJ Discovery of potent and novel S-nitrosoglutathione reductase inhibitors devoid of cytochrome P450 activities. Bioorg Med Chem Lett21:5849-53 (2011) [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: |
| ||
| BDBM50354475 | |||
| n/a | |||
| Name | BDBM50354475 | ||
| Synonyms: | CHEMBL1738699 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C24H22N4O3 | ||
| Mol. Mass. | 414.4565 | ||
| SMILES | Cc1cc(ccc1-n1c(CCC(O)=O)ccc1-c1ccc(cc1)-n1ccnc1)C(N)=O |(.17,2.54,;-.17,3.72,;.89,4.84,;.46,6.31,;-1.04,6.68,;-2.1,5.57,;-1.66,4.09,;-2.81,3.06,;-4.32,3.38,;-4.95,4.78,;-6.48,4.94,;-7.11,6.34,;-6.39,7.34,;-8.34,6.47,;-5.09,2.04,;-4.05,.9,;-2.67,1.54,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;2.67,-1.54,;2.81,-3.06,;4.31,-3.38,;5.09,-2.05,;4.06,-.9,;1.52,7.43,;2.72,7.14,;1.17,8.61,)| | ||
| Structure | 
| ||