| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 3A4 |
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| Ligand | BDBM50115393 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1513925 (CHEMBL3611607) |
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| IC50 | 38800±n/a nM |
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| Citation |  Bagdanoff, JT; Jain, R; Han, W; Zhu, S; Madiera, AM; Lee, PS; Ma, X; Poon, D Tetrahydropyrrolo-diazepenones as inhibitors of ERK2 kinase. Bioorg Med Chem Lett25:3788-92 (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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| BDBM50115393 |
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| n/a |
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| Name | BDBM50115393 |
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| Synonyms: | CHEMBL3608458 |
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| Type | Small organic molecule |
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| Emp. Form. | C25H28FN5O3 |
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| Mol. Mass. | 465.5199 |
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| SMILES | OC[C@@H](N1CCCn2cc(cc2C1=O)-c1ccnc(N[C@@H]2C[C@H](O)[C@@H](F)C2)n1)c1ccccc1 |r| |
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| Structure | 
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