Reaction Details | |||
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Target | Cytochrome P450 2C19 | ||
Ligand | BDBM50512456 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1924445 (CHEMBL4427401) | ||
IC50 | 8000±n/a nM | ||
Citation | Liu, Y; Laufer, R; Patel, NK; Ng, G; Sampson, PB; Li, SW; Lang, Y; Feher, M; Brokx, R; Beletskaya, I; Hodgson, R; Plotnikova, O; Awrey, DE; Qiu, W; Chirgadze, NY; Mason, JM; Wei, X; Lin, DC; Che, Y; Kiarash, R; Fletcher, GC; Mak, TW; Bray, MR; Pauls, HW Discovery of Pyrazolo[1,5-a]pyrimidine TTK Inhibitors: CFI-402257 is a Potent, Selective, Bioavailable Anticancer Agent. ACS Med Chem Lett7:671-5 (2016) [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: |
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BDBM50512456 | |||
n/a | |||
Name | BDBM50512456 | ||
Synonyms: | CHEMBL4469414 | ||
Type | Small organic molecule | ||
Emp. Form. | C28H30N6O3 | ||
Mol. Mass. | 498.5762 | ||
SMILES | Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NC[C@H]3C[C@@](C)(O)C3)cc(Oc3cccnc3)nc12 |r,wU:20.21,22.25,(48.46,-32.37,;49.53,-31.26,;49.1,-29.78,;50.17,-28.67,;51.66,-29.03,;52.09,-30.5,;51.03,-31.63,;51.46,-33.1,;50.39,-34.22,;52.95,-33.47,;54.02,-32.36,;55.49,-31.92,;54.38,-30.85,;49.74,-27.2,;50.69,-25.98,;49.82,-24.7,;48.34,-25.14,;47.04,-24.33,;47.09,-22.79,;45.78,-21.98,;44.42,-22.71,;43.98,-24.18,;42.51,-23.74,;41.01,-23.33,;41.41,-24.82,;42.95,-22.26,;45.69,-25.06,;45.64,-26.6,;44.29,-27.33,;44.25,-28.87,;42.89,-29.59,;42.85,-31.13,;44.16,-31.94,;45.52,-31.2,;45.56,-29.66,;46.95,-27.4,;48.29,-26.68,)| | ||
Structure |