| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 3A4 |
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| Ligand | BDBM50148637 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_51912 (CHEMBL666018) |
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| IC50 | 30000±n/a nM |
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| Citation |  Peters, JU; Hunziker, D; Fischer, H; Kansy, M; Weber, S; Kritter, S; Müller, A; Wallier, A; Ricklin, F; Boehringer, M; Poli, SM; Csato, M; Loeffler, BM An aminomethylpyrimidine DPP-IV inhibitor with improved properties. Bioorg Med Chem Lett14:3575-8 (2004) [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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| BDBM50148637 |
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| n/a |
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| Name | BDBM50148637 |
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| Synonyms: | 5-(aminomethyl)-6-(2,4-dichlorophenyl)-N2-(2-methoxyethyl)-N2-methylpyrimidine-2,4-diamine | 5-Aminomethyl-6-(2,4-dichloro-phenyl)-N*2*-(2-methoxy-ethyl)-N*2*-methyl-pyrimidine-2,4-diamine | CHEMBL324777 |
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| Type | Small organic molecule |
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| Emp. Form. | C15H19Cl2N5O |
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| Mol. Mass. | 356.25 |
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| SMILES | COCCN(C)c1nc(N)c(CN)c(n1)-c1ccc(Cl)cc1Cl |
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| Structure | 
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