| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 3A4 |
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| Ligand | BDBM50140856 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_52065 (CHEMBL664805) |
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| IC50 | >100000±n/a nM |
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| Citation |  Wang, S; Wan, NC; Harrison, J; Miller, W; Chuckowree, I; Sohal, S; Hancox, TC; Baker, S; Folkes, A; Wilson, F; Thompson, D; Cocks, S; Farmer, H; Boyce, A; Freathy, C; Broadbridge, J; Scott, J; Depledge, P; Faint, R; Mistry, P; Charlton, P Design and synthesis of new templates derived from pyrrolopyrimidine as selective multidrug-resistance-associated protein inhibitors in multidrug resistance. J Med Chem47:1339-50 (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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| BDBM50140856 |
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| n/a |
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| Name | BDBM50140856 |
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| Synonyms: | 4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-yl}-5-methyl-9-nitro-5H-pyrimido[5,4-b]indole | CHEMBL30052 |
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| Type | Small organic molecule |
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| Emp. Form. | C23H22F2N6O2 |
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| Mol. Mass. | 452.4566 |
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| SMILES | Cn1c2cccc([N+]([O-])=O)c2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c12 |
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| Structure | 
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