| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 3A4 |
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| Ligand | BDBM50345522 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_751105 (CHEMBL1787042) |
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| IC50 | >10000±n/a nM |
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| Citation |  De Savi, C; Pape, A; Sawyer, Y; Milne, D; Davies, C; Cumming, JG; Ting, A; Lamont, S; Smith, PD; Tart, J; Page, K; Moore, P Orally active achiral N-hydroxyformamide inhibitors of ADAM-TS4 (aggrecanase-1) and ADAM-TS5 (aggrecanase-2) for the treatment of osteoarthritis. Bioorg Med Chem Lett21:3301-6 (2011) [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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| BDBM50345522 |
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| n/a |
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| Name | BDBM50345522 |
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| Synonyms: | CHEMBL1784347 | N-(4-{4-[2-(3,5-Dimethyl-isoxazol-4-yl)-ethyl]-piperidine-1-sulfonylmethyl}-1,1-dioxo-hexahydro-1lambda*6*-thiopyran-4-yl)-N-hydroxy-formamide | US10322143, Compound 14g |
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| Type | Small organic molecule |
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| Emp. Form. | C19H31N3O7S2 |
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| Mol. Mass. | 477.595 |
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| SMILES | Cc1noc(C)c1CCC1CCN(CC1)S(=O)(=O)CC1(CCS(=O)(=O)CC1)N(O)C=O |
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| Structure | 
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