Reaction Details |
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Target | Cytochrome P450 3A4 |
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Ligand | BDBM50446847 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1508877 (CHEMBL3602027) |
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IC50 | >10000±n/a nM |
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Citation | Schiffler, MA; Chandrasekhar, S; Fisher, MJ; Harvey, A; Kuklish, SL; Wang, XS; Warshawsky, AM; York, JS; Yu, XP Discovery and characterization of a potent and selective EP4 receptor antagonist. Bioorg Med Chem Lett25:3176-8 (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 |
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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BDBM50446847 |
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n/a |
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Name | BDBM50446847 |
Synonyms: | CHEMBL3115074 |
Type | Small organic molecule |
Emp. Form. | C23H28N2O4 |
Mol. Mass. | 396.4794 |
SMILES | C[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccccc1)c1ccc(cc1)C(O)=O |r| |
Structure |
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