Reaction Details |
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Target | Cytochrome P450 3A4 |
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Ligand | BDBM50081301 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1475768 (CHEMBL3425001) |
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IC50 | 2000±n/a nM |
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Citation | Hoveyda, HR; Fraser, GL; Roy, MO; Dutheuil, G; Batt, F; El Bousmaqui, M; Korac, J; Lenoir, F; Lapin, A; Noël, S; Blanc, S Discovery and optimization of novel antagonists to the human neurokinin-3 receptor for the treatment of sex-hormone disorders (Part I). J Med Chem58:3060-82 (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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BDBM50081301 |
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n/a |
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Name | BDBM50081301 |
Synonyms: | CHEMBL3422008 |
Type | Small organic molecule |
Emp. Form. | C22H20N6OS |
Mol. Mass. | 416.499 |
SMILES | C[C@H]1N(CCn2c1nnc2-c1cncc(C)n1)C(=O)c1ccc(cc1)-c1cccs1 |r| |
Structure |
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