| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 3A4 |
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| Ligand | BDBM370489 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1866289 (CHEMBL4367264) |
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| IC50 | 1200±n/a nM |
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| Citation |  Kumar, S; Waldo, JP; Jaipuri, FA; Marcinowicz, A; Van Allen, C; Adams, J; Kesharwani, T; Zhang, X; Metz, R; Oh, AJ; Harris, SF; Mautino, MR Discovery of Clinical Candidate (1 J Med Chem62:6705-6733 (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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| BDBM370489 |
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| n/a |
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| Name | BDBM370489 |
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| Synonyms: | 1-(4,4-difluorocyclohexyl)-2-(5H-imidazo[5,1- a]isoindol-5-yl)ethanol; | US10233190, Example 1407 |
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| Type | Small organic molecule |
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| Emp. Form. | C18H20F2N2O |
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| Mol. Mass. | 318.361 |
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| SMILES | OC(CC1c2ccccc2-c2cncn12)C1CCC(F)(F)CC1 |
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| Structure | 
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