Reaction Details | |||
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Target | Cytochrome P450 2C19 | ||
Ligand | BDBM50206243 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1655354 (CHEMBL4004720) | ||
IC50 | >40000±n/a nM | ||
Citation | King, D; Iwuagwu, C; Cook, J; McDonald, IM; Mate, R; Zusi, FC; Hill, MD; Fang, H; Zhao, R; Wang, B; Easton, AE; Miller, R; Post-Munson, D; Knox, RJ; Gallagher, L; Westphal, R; Molski, T; Fan, J; Clarke, W; Benitex, Y; Lentz, KA; Denton, R; Morgan, D; Zaczek, R; Lodge, NJ; Bristow, LJ; Macor, JE; Olson, RE BMS-933043, a Selectivea7 nAChR Partial Agonist for the Treatment of Cognitive Deficits Associated with Schizophrenia. ACS Med Chem Lett8:366-371 (2017) [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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BDBM50206243 | |||
n/a | |||
Name | BDBM50206243 | ||
Synonyms: | CHEMBL3918431 | ||
Type | Small organic molecule | ||
Emp. Form. | C18H20N4O | ||
Mol. Mass. | 308.3776 | ||
SMILES | C1N=C(Nc2cc3ccccc3cn2)O[C@]11CN2CCC1CC2 |r,wU:15.16,t:1,TLB:14:15:18.19:22.21,THB:0:15:18.19:22.21,(17.63,-8.02,;19,-7.33,;18.76,-5.81,;19.85,-4.72,;21.34,-5.11,;22.41,-4.02,;23.9,-4.41,;24.98,-3.32,;26.47,-3.71,;26.88,-5.2,;25.79,-6.3,;24.3,-5.9,;23.22,-7,;21.73,-6.6,;17.24,-5.56,;16.54,-6.93,;15.8,-8.21,;14.52,-7.62,;14.52,-5.71,;15.36,-4.63,;15.36,-6.25,;13.79,-6.93,;13,-8.11,)| | ||
Structure |