Reaction Details |
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Target | Cytochrome P450 3A4 |
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Ligand | BDBM50206955 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1629496 (CHEMBL3872122) |
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IC50 | >25000±n/a nM |
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Citation | Whitehead, BR; Lo, MM; Ali, A; Park, MK; Hoyt, SB; Xiong, Y; Cai, J; Carswell, E; Cooke, A; MacLean, J; Ratcliffe, P; Robinson, J; Bennett, DJ; Clemas, JA; Wisniewski, T; Struthers, M; Cully, D; MacNeil, DJ Imidazopyridyl compounds as aldosterone synthase inhibitors. Bioorg Med Chem Lett27:143-146 (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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BDBM50206955 |
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n/a |
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Name | BDBM50206955 |
Synonyms: | CHEMBL3923127 |
Type | Small organic molecule |
Emp. Form. | C18H15F4N3O |
Mol. Mass. | 365.3248 |
SMILES | C[C@](O)(c1cncc(c1)-c1nc2ccc(F)cn2c1C1CC1)C(F)(F)F |r| |
Structure |
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