| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 3A4 |
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| Ligand | BDBM120086 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1469854 (CHEMBL3413965) |
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| IC50 | >10000±n/a nM |
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| Citation |  Ren, L; Grina, J; Moreno, D; Blake, JF; Gaudino, JJ; Garrey, R; Metcalf, AT; Burkard, M; Martinson, M; Rasor, K; Chen, H; Dean, B; Gould, SE; Pacheco, P; Shahidi-Latham, S; Yin, J; West, K; Wang, W; Moffat, JG; Schwarz, JB Discovery of highly potent, selective, and efficacious small molecule inhibitors of ERK1/2. J Med Chem58:1976-91 (2015) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Cytochrome P450 3A4 |
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| Name: | Cytochrome P450 3A4 |
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| 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 |
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| Type: | Enzyme |
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| Mol. Mass.: | 57349.57 |
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| Organism: | Homo sapiens (Human) |
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| Description: | n/a |
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| Residue: | 503 |
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| Sequence: | MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMF
DMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISI
AEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYS
MDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICV
FPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSI
IFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVV
NETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFS
KKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLG
GLLQPEKPVVLKVESRDGTVSGA
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| BDBM120086 |
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| n/a |
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| Name | BDBM120086 |
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| Synonyms: | US8697715, 1 | US9259470, 1 |
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| Type | Small organic molecule |
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| Emp. Form. | C22H22ClFN4O3 |
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| Mol. Mass. | 444.886 |
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| SMILES | OC[C@H](c1ccc(Cl)c(F)c1)n1ccc(cc1=O)-c1ccnc(NC2CCOCC2)n1 |r| |
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| Structure | 
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