Reaction Details |
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Target | Cytochrome P450 3A4 |
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Ligand | BDBM50529950 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1910981 (CHEMBL4413427) |
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IC50 | 900±n/a nM |
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Citation | Saccoliti, F; Madia, VN; Tudino, V; De Leo, A; Pescatori, L; Messore, A; De Vita, D; Scipione, L; Brun, R; Kaiser, M; Mäser, P; Calvet, CM; Jennings, GK; Podust, LM; Pepe, G; Cirilli, R; Faggi, C; Di Marco, A; Battista, MR; Summa, V; Costi, R; Di Santo, R Design, Synthesis, and Biological Evaluation of New 1-(Aryl-1 H-pyrrolyl)(phenyl)methyl-1 H-imidazole Derivatives as Antiprotozoal Agents. J Med Chem62:1330-1347 (2019) [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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BDBM50529950 |
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n/a |
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Name | BDBM50529950 |
Synonyms: | CHEMBL4551139 |
Type | Small organic molecule |
Emp. Form. | C23H19Cl2N3 |
Mol. Mass. | 408.323 |
SMILES | Clc1ccc(cc1)C(c1cc(-c2ccc(Cl)cc2)n(CC=C)c1)n1ccnc1 |
Structure |
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