Reaction Details |
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Target | Cytochrome P450 3A4 |
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Ligand | BDBM50381716 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_816384 (CHEMBL2024782) |
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IC50 | >30000±n/a nM |
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Citation | Curtin, ML; Frey, RR; Heyman, HR; Soni, NB; Marcotte, PA; Pease, LJ; Glaser, KB; Magoc, TJ; Tapang, P; Albert, DH; Osterling, DJ; Olson, AM; Bouska, JJ; Guan, Z; Preusser, LC; Polakowski, JS; Stewart, KD; Tse, C; Davidsen, SK; Michaelides, MR Thienopyridine ureas as dual inhibitors of the VEGF and Aurora kinase families. Bioorg Med Chem Lett22:3208-12 (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 |
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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BDBM50381716 |
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n/a |
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Name | BDBM50381716 |
Synonyms: | ABT-348 | ILORASERTIB | US8722890, 1 | US8722890, 2 |
Type | Small organic molecule |
Emp. Form. | C25H21FN6O2S |
Mol. Mass. | 488.537 |
SMILES | Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12 |
Structure |
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