| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 3A4 |
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| Ligand | BDBM50527647 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1903445 (CHEMBL4405667) |
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| IC50 | 35500±n/a nM |
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| Citation |  Beatty, JW; Lindsey, EA; Thomas-Tran, R; Debien, L; Mandal, D; Jeffrey, JL; Tran, AT; Fournier, J; Jacob, SD; Yan, X; Drew, SL; Ginn, E; Chen, A; Pham, AT; Zhao, S; Jin, L; Young, SW; Walker, NP; Leleti, MR; Moschütz, S; Sträter, N; Powers, JP; Lawson, KV Discovery of Potent and Selective Non-Nucleotide Small Molecule Inhibitors of CD73. J Med Chem63:3935-3955 (2020) [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 |
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| 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 |
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| Type: | Enzyme |
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| Mol. Mass.: | 57349.57 |
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| Organism: | Homo sapiens (Human) |
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| Description: | n/a |
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| Residue: | 503 |
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| Sequence: | MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMF
DMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISI
AEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYS
MDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICV
FPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSI
IFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVV
NETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFS
KKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLG
GLLQPEKPVVLKVESRDGTVSGA
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| BDBM50527647 |
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| n/a |
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| Name | BDBM50527647 |
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| Synonyms: | CHEMBL4454039 |
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| Type | Small organic molecule |
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| Emp. Form. | C22H14Cl2N8 |
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| Mol. Mass. | 461.306 |
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| SMILES | Clc1ccc(Cn2nccc2-c2cc(Cl)c3nnn(-c4ccc5cn[nH]c5c4)c3c2)nc1 |
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| Structure | 
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