Reaction Details | |||
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Target | Cytochrome P450 2C9 | ||
Ligand | BDBM50380680 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_813215 (CHEMBL2020947) | ||
IC50 | 1000±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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BDBM50380680 | |||
n/a | |||
Name | BDBM50380680 | ||
Synonyms: | CHEMBL2017288 | ||
Type | Small organic molecule | ||
Emp. Form. | C24H22N4O3 | ||
Mol. Mass. | 414.4565 | ||
SMILES | COc1cc2c3n([C@H](C)c4ccccc4)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C |r,wD:7.7,(3.4,-41.04,;3.4,-42.58,;4.73,-43.35,;6.06,-42.58,;7.4,-43.35,;8.72,-42.57,;9.03,-41.07,;8.26,-39.74,;6.72,-39.74,;9.03,-38.41,;10.56,-38.41,;11.34,-37.08,;10.57,-35.74,;9.02,-35.75,;8.25,-37.08,;10.55,-40.9,;11.31,-39.56,;11.19,-42.29,;10.06,-43.33,;10.07,-44.88,;8.73,-45.66,;7.4,-44.89,;6.07,-45.67,;4.73,-44.9,;3.4,-45.67,;3.36,-47.21,;4.59,-48.14,;1.89,-47.65,;1.01,-46.39,;1.94,-45.16,;1.49,-43.69,)| | ||
Structure |