| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 3A4 |
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| Ligand | BDBM50507785 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1831631 (CHEMBL4331639) |
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| IC50 | >20000±n/a nM |
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| Citation |  Teske, KA; Dash, RC; Morel, SR; Chau, LQ; Wechsler-Reya, RJ; Hadden, MK Development of posaconazole-based analogues as hedgehog signaling pathway inhibitors. Eur J Med Chem163:320-332 (2019) [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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| BDBM50507785 |
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| n/a |
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| Name | BDBM50507785 |
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| Synonyms: | CHEMBL4587117 |
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| Type | Small organic molecule |
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| Emp. Form. | C32H33Cl2N5O6 |
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| Mol. Mass. | 654.54 |
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| SMILES | CC1(OCC(COc2ccc(cc2)N2CCN(CC2)c2ccc(cc2)-n2cnn(CCC(O)=O)c2=O)O1)c1ccc(Cl)cc1Cl |
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| Structure | 
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