| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 3A4 |
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| Ligand | BDBM50332229 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_688021 (CHEMBL1291745) |
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| IC50 | 11900±n/a nM |
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| Citation |  Nishio, Y; Kimura, H; Tosaki, S; Sugaru, E; Sakai, M; Horiguchi, M; Masui, Y; Ono, M; Nakagawa, T; Nakahira, H Discovery of new chemotype dipeptidyl peptidase IV inhibitors having (R)-3-amino-3-methyl piperidine as a pharmacophore. Bioorg Med Chem Lett20:7246-9 (2010) [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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| BDBM50332229 |
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| n/a |
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| Name | BDBM50332229 |
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| Synonyms: | (R)-6-(3-amino-3-methylpiperidin-1-yl)-5-(5-fluoro-2-methylbenzyl)-3-methyl-3H-pyrrolo[3,2-d]pyrimidin-4(5H)-one hydrochloride | CHEMBL1287901 |
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| Type | Small organic molecule |
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| Emp. Form. | C21H26FN5O |
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| Mol. Mass. | 383.4624 |
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| SMILES | Cc1ccc(F)cc1Cn1c(cc2ncn(C)c(=O)c12)N1CCC[C@@](C)(N)C1 |r| |
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| Structure | 
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