Reaction Details | |||
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Target | Cytochrome P450 2C9 | ||
Ligand | BDBM50431379 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_949747 (CHEMBL2350845) | ||
IC50 | 4000±n/a nM | ||
Citation | Padilla, F; Bhagirath, N; Chen, S; Chiao, E; Goldstein, DM; Hermann, JC; Hsu, J; Kennedy-Smith, JJ; Kuglstatter, A; Liao, C; Liu, W; Lowrie, LE; Luk, KC; Lynch, SM; Menke, J; Niu, L; Owens, TD; O-Yang, C; Railkar, A; Schoenfeld, RC; Slade, M; Steiner, S; Tan, YC; Villaseñor, AG; Wang, C; Wanner, J; Xie, W; Xu, D; Zhang, X; Zhou, M; Lucas, MC Pyrrolopyrazines as selective spleen tyrosine kinase inhibitors. J Med Chem56:1677-92 (2013) [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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BDBM50431379 | |||
n/a | |||
Name | BDBM50431379 | ||
Synonyms: | CHEMBL2347413 | ||
Type | Small organic molecule | ||
Emp. Form. | C20H20FN7O | ||
Mol. Mass. | 393.4175 | ||
SMILES | Cn1nc(-c2cnc3[nH]cc(C(=O)N[C@]4(C)C[C@H](N)C4)c3n2)c2ccc(F)cc12 |r,wU:14.13,17.17,wD:14.14,(33.77,-18.94,;32.23,-18.78,;31.21,-19.93,;29.8,-19.32,;28.47,-20.09,;28.47,-21.64,;27.14,-22.41,;25.8,-21.64,;24.33,-22.13,;23.42,-20.88,;24.32,-19.62,;23.84,-18.16,;24.87,-17.01,;22.33,-17.85,;21.85,-16.38,;20.75,-17.47,;22.55,-15.01,;21.17,-14.32,;20.69,-12.86,;20.48,-15.69,;25.8,-20.1,;27.13,-19.33,;29.95,-17.78,;28.93,-16.65,;29.39,-15.19,;30.89,-14.86,;31.36,-13.39,;31.93,-16,;31.46,-17.46,)| | ||
Structure |