Reaction Details | |||
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Target | Cytochrome P450 2C9 | ||
Ligand | BDBM50380678 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_813215 (CHEMBL2020947) | ||
IC50 | 1200±n/a nM | ||
Citation | Mirguet, O; Lamotte, Y; Donche, F; Toum, J; Gellibert, F; Bouillot, A; Gosmini, R; Nguyen, VL; Delannée, D; Seal, J; Blandel, F; Boullay, AB; Boursier, E; Martin, S; Brusq, JM; Krysa, G; Riou, A; Tellier, R; Costaz, A; Huet, P; Dudit, Y; Trottet, L; Kirilovsky, J; Nicodeme, E From ApoA1 upregulation to BET family bromodomain inhibition: discovery of I-BET151. Bioorg Med Chem Lett22:2963-7 (2012) [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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BDBM50380678 | |||
n/a | |||
Name | BDBM50380678 | ||
Synonyms: | CHEMBL2017285 | ||
Type | Small organic molecule | ||
Emp. Form. | C23H20N4O3 | ||
Mol. Mass. | 400.4299 | ||
SMILES | COc1cc2c3n(Cc4ccccc4)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C |(31.17,-25.51,;31.17,-27.05,;32.5,-27.82,;33.83,-27.05,;35.16,-27.81,;36.49,-27.04,;36.8,-25.54,;36.03,-24.21,;36.8,-22.87,;38.33,-22.88,;39.1,-21.55,;38.33,-20.21,;36.78,-20.22,;36.02,-21.55,;38.32,-25.37,;39.08,-24.02,;38.96,-26.76,;37.83,-27.8,;37.84,-29.35,;36.5,-30.12,;35.17,-29.36,;33.83,-30.14,;32.5,-29.37,;31.16,-30.13,;31.13,-31.68,;32.36,-32.61,;29.66,-32.12,;28.78,-30.86,;29.71,-29.63,;29.26,-28.16,)| | ||
Structure |