| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 3A4 |
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| Ligand | BDBM50301673 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_600767 (CHEMBL1037479) |
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| IC50 | 890±n/a nM |
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| Citation |  Min, KH; Xia, Y; Kim, EK; Jin, Y; Kaur, N; Kim, ES; Kim, DK; Jung, HY; Choi, Y; Park, MK; Min, YK; Lee, K; Lee, K A novel class of highly potent multidrug resistance reversal agents: disubstituted adamantyl derivatives. Bioorg Med Chem Lett19:5376-9 (2009) [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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| BDBM50301673 |
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| n/a |
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| Name | BDBM50301673 |
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| Synonyms: | 3-[2-(4-{3-[4-(3-Methoxy-benzyl)-3,6-dihydro-2H-piperazine-1-carbonyl]-adamantan-1-yl}-phenoxy)-acetylamino]-benzoic acid methyl ester | CHEMBL570402 |
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| Type | Small organic molecule |
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| Emp. Form. | C39H45N3O6 |
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| Mol. Mass. | 651.7911 |
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| SMILES | COC(=O)c1cccc(NC(=O)COc2ccc(cc2)C23CC4CC(CC(C4)(C2)C(=O)N2CCN(Cc4ccc(OC)cc4)CC2)C3)c1 |TLB:46:20:27:23.24.25,17:20:27:23.24.25,17:20:27.22.23:25,THB:21:22:25:28.20.46,21:20:27.22.23:25,46:24:27:28.21.20| |
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| Structure | 
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