| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 3A4 |
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| Ligand | BDBM50059433 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1460909 (CHEMBL3396729) |
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| IC50 | 500±n/a nM |
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| Citation |  Carry, JC; Clerc, F; Minoux, H; Schio, L; Mauger, J; Nair, A; Parmantier, E; Le Moigne, R; Delorme, C; Nicolas, JP; Krick, A; Abécassis, PY; Crocq-Stuerga, V; Pouzieux, S; Delarbre, L; Maignan, S; Bertrand, T; Bjergarde, K; Ma, N; Lachaud, S; Guizani, H; Lebel, R; Doerflinger, G; Monget, S; Perron, S; Gasse, F; Angouillant-Boniface, O; Filoche-Rommé, B; Murer, M; Gontier, S; Prévost, C; Monteiro, ML; Combeau, C SAR156497, an exquisitely selective inhibitor of aurora kinases. J Med Chem58:362-75 (2015) [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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| BDBM50059433 |
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| n/a |
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| Name | BDBM50059433 |
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| Synonyms: | CHEMBL3393485 |
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| Type | Small organic molecule |
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| Emp. Form. | C26H25ClN6O5S |
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| Mol. Mass. | 569.032 |
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| SMILES | Cl.CCOC(=O)c1[nH]cc2[C@H](c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CN(CC3=O)C(=O)CN)Nc12 |r,t:28| |
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| Structure | 
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