Reaction Details |
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Target | Cytochrome P450 3A4 |
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Ligand | BDBM50495150 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1283600 (CHEMBL3107752) |
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IC50 | 5200±n/a nM |
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Citation | Keenan, M; Chaplin, JH; Alexander, PW; Abbott, MJ; Best, WM; Khong, A; Botero, A; Perez, C; Cornwall, S; Thompson, RA; White, KL; Shackleford, DM; Koltun, M; Chiu, FC; Morizzi, J; Ryan, E; Campbell, M; von Geldern, TW; Scandale, I; Chatelain, E; Charman, SA Two analogues of fenarimol show curative activity in an experimental model of Chagas disease. J Med Chem56:10158-70 (2013) [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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BDBM50495150 |
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n/a |
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Name | BDBM50495150 |
Synonyms: | CHEMBL3104537 |
Type | Small organic molecule |
Emp. Form. | C24H21F3N4 |
Mol. Mass. | 422.4455 |
SMILES | FC(F)(F)c1ccc(cc1)N(C1CCN(CC1)c1ccccc1C#N)c1cccnc1 |
Structure |
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