Reaction Details | |||
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Target | Cytochrome P450 3A4 | ||
Ligand | BDBM50108102 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1509544 (CHEMBL3602291) | ||
IC50 | 13200±n/a nM | ||
Citation | Holzer, P; Masuya, K; Furet, P; Kallen, J; Valat-Stachyra, T; Ferretti, S; Berghausen, J; Bouisset-Leonard, M; Buschmann, N; Pissot-Soldermann, C; Rynn, C; Ruetz, S; Stutz, S; Chène, P; Jeay, S; Gessier, F Discovery of a Dihydroisoquinolinone Derivative (NVP-CGM097): A Highly Potent and Selective MDM2 Inhibitor Undergoing Phase 1 Clinical Trials in p53wt Tumors. J Med Chem58:6348-58 (2015) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Cytochrome P450 3A4 | |||
Name: | Cytochrome P450 3A4 | ||
Synonyms: | Albendazole monooxygenase | Albendazole sulfoxidase | CP3A4_HUMAN | CYP3A3 | CYP3A4 | CYPIIIA3 | CYPIIIA4 | Cytochrome P450 3A3 | Cytochrome P450 3A4 (CYP3A4) | Cytochrome P450 HLp | Nifedipine oxidase | Quinine 3-monooxygenase | Taurochenodeoxycholate 6-alpha-hydroxylase | ||
Type: | Enzyme | ||
Mol. Mass.: | 57349.57 | ||
Organism: | Homo sapiens (Human) | ||
Description: | n/a | ||
Residue: | 503 | ||
Sequence: |
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BDBM50108102 | |||
n/a | |||
Name | BDBM50108102 | ||
Synonyms: | CHEMBL3601400 | ||
Type | Small organic molecule | ||
Emp. Form. | C36H44ClN5O4 | ||
Mol. Mass. | 646.219 | ||
SMILES | COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(nc1)N(C)C[C@H]1CC[C@@H](CC1)N1CN(C)C(=O)C1 |r,wU:36.43,wD:9.9,33.36,(-4.01,-2.77,;-4.01,-1.54,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.66,-.77,;3.73,-1.38,;2.66,.77,;1.33,1.54,;1.33,3.08,;2.66,3.85,;2.66,5.39,;1.33,6.16,;1.32,7.39,;-.01,5.39,;-0,3.85,;,.77,;-1.33,1.54,;-2.68,.77,;-4.01,1.54,;-4.01,3.08,;-5.08,3.7,;-2.94,3.7,;4,1.54,;4,3.08,;5.33,3.85,;6.67,3.07,;6.66,1.53,;5.33,.77,;8,3.84,;8.01,5.07,;9.34,3.07,;10.67,3.83,;12.01,3.06,;13.34,3.83,;13.34,5.37,;12.01,6.14,;10.68,5.37,;14.68,6.14,;14.82,7.66,;16.33,7.97,;16.84,9.09,;17.1,6.63,;18.32,6.5,;16.06,5.49,)| | ||
Structure |