Reaction Details |
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Target | Cytochrome P450 3A4 |
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Ligand | BDBM50245571 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1674778 (CHEMBL4024921) |
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IC50 | >20000±n/a nM |
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Citation | Marcoux, D; Qin, LY; Ruan, Z; Shi, Q; Ruan, Q; Weigelt, C; Qiu, H; Schieven, G; Hynes, J; Bhide, R; Poss, M; Tino, J Identification of highly potent and selective PI3K? inhibitors. Bioorg Med Chem Lett27:2849-2853 (2017) [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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BDBM50245571 |
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n/a |
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Name | BDBM50245571 |
Synonyms: | CHEMBL4091875 |
Type | Small organic molecule |
Emp. Form. | C22H21F3N6O2 |
Mol. Mass. | 458.4363 |
SMILES | C[C@H]1OC(C)(C)C(=O)N([C@H]1C)c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F |r| |
Structure |
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