Reaction Details |
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Target | Cytochrome P450 3A4 |
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Ligand | BDBM50379681 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_812035 (CHEMBL2013461) |
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IC50 | >50000±n/a nM |
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Citation | Davies, DJ; Crowe, M; Lucas, N; Quinn, J; Miller, DD; Pritchard, S; Grose, D; Bettini, E; Calcinaghi, N; Virginio, C; Abberley, L; Goldsmith, P; Michel, AD; Chessell, IP; Kew, JN; Miller, ND; Gunthorpe, MJ A novel series of benzimidazole NR2B-selective NMDA receptor antagonists. Bioorg Med Chem Lett22:2620-3 (2012) [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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BDBM50379681 |
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n/a |
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Name | BDBM50379681 |
Synonyms: | CHEMBL2010880 |
Type | Small organic molecule |
Emp. Form. | C19H21N3 |
Mol. Mass. | 291.3901 |
SMILES | C(N1CCCCC1)c1cccc2nc([nH]c12)-c1ccccc1 |
Structure |
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