| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 3A4 |
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| Ligand | BDBM50389067 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_833383 (CHEMBL2067912) |
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| IC50 | >40000±n/a nM |
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| Citation |  Certal, V; Halley, F; Virone-Oddos, A; Delorme, C; Karlsson, A; Rak, A; Thompson, F; Filoche-Rommé, B; El-Ahmad, Y; Carry, JC; Abecassis, PY; Lejeune, P; Vincent, L; Bonnevaux, H; Nicolas, JP; Bertrand, T; Marquette, JP; Michot, N; Benard, T; Below, P; Vade, I; Chatreaux, F; Lebourg, G; Pilorge, F; Angouillant-Boniface, O; Louboutin, A; Lengauer, C; Schio, L Discovery and optimization of new benzimidazole- and benzoxazole-pyrimidone selective PI3Kß inhibitors for the treatment of phosphatase and TENsin homologue (PTEN)-deficient cancers. J Med Chem55:4788-805 (2012) [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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| BDBM50389067 |
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| n/a |
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| Name | BDBM50389067 |
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| Synonyms: | CHEMBL2064346 |
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| Type | Small organic molecule |
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| Emp. Form. | C22H21N5O2 |
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| Mol. Mass. | 387.4344 |
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| SMILES | O=c1cc(nc(Cc2nc3c(cccc3[nH]2)-c2ccccc2)[nH]1)N1CCOCC1 |
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| Structure | 
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