Reaction Details |
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Target | Cytochrome P450 3A4 |
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Ligand | BDBM50325065 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_651640 (CHEMBL1228178) |
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IC50 | >50000±n/a nM |
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Citation | Davenport, AJ; Stimson, CC; Corsi, M; Vaidya, D; Glenn, E; Jones, TD; Bailey, S; Gemkow, MJ; Fritz, U; Hallett, DJ Discovery of substituted benzyl tetrazoles as histamine H3 receptor antagonists. Bioorg Med Chem Lett20:5165-9 (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 |
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 |
Type: | Enzyme |
Mol. Mass.: | 57349.57 |
Organism: | Homo sapiens (Human) |
Description: | n/a |
Residue: | 503 |
Sequence: | MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMF
DMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISI
AEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYS
MDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICV
FPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSI
IFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVV
NETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFS
KKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLG
GLLQPEKPVVLKVESRDGTVSGA
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BDBM50325065 |
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n/a |
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Name | BDBM50325065 |
Synonyms: | 1-((1-benzyl-1H-tetrazol-5-yl)(4-((4-methylpiperazin-1-yl)methyl)phenyl)methyl)-4-cyclobutyl-1,4-diazepane | CHEMBL1223158 |
Type | Small organic molecule |
Emp. Form. | C30H42N8 |
Mol. Mass. | 514.7081 |
SMILES | CN1CCN(Cc2ccc(cc2)C(N2CCCN(CC2)C2CCC2)c2nnnn2Cc2ccccc2)CC1 |
Structure |
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