| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 3A4 |
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| Ligand | BDBM200372 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2164346 (CHEMBL5049207) |
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| IC50 | 7700±n/a nM |
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| Citation |  Poddutoori, R; Aardalen, K; Aithal, K; Barahagar, SS; Belliappa, C; Bock, M; Chelur, S; Gerken, A; Gopinath, S; Gruenenfelder, B; Kiffe, M; Krishnaswami, M; Langowski, J; Madapa, S; Narayanan, K; Pandit, C; Panigrahi, SK; Perrone, M; Potakamuri, RK; Ramachandra, M; Ramanathan, A; Ramos, R; Sager, E; Samajdar, S; Subramanya, HS; Thimmasandra, DS; Venetsanakos, E; Möbitz, H Discovery of MAP855, an Efficacious and Selective MEK1/2 Inhibitor with an ATP-Competitive Mode of Action. J Med Chem65:4350-4366 (2022) [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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| BDBM200372 |
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| n/a |
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| Name | BDBM200372 |
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| Synonyms: | US10011599, Example 1A | US9227969, 1A | US9629836, 1A |
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| Type | Small organic molecule |
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| Emp. Form. | C28H23ClF2N6O3 |
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| Mol. Mass. | 564.97 |
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| SMILES | Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(C[C@@H]1F)C(=O)CO)-c1ccc(Oc2ncccn2)cc1Cl |r| |
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| Structure | 
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