| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 1A2 |
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| Ligand | BDBM50454644 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1752997 (CHEMBL4187757) |
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| IC50 | >10000±n/a nM |
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| Citation |  Pieters, S; McGowan, D; Herschke, F; Pauwels, F; Stoops, B; Last, S; Embrechts, W; Scholliers, A; Mostmans, W; Van Dijck, K; Van Schoubroeck, B; Thoné, T; De Pooter, D; Fanning, G; Rosauro, ML; Khamlichi, MD; Houpis, I; Arnoult, E; Jonckers, THM; Raboisson, P Discovery of selective 2,4-diaminoquinazoline toll-like receptor 7 (TLR 7) agonists. Bioorg Med Chem Lett28:711-719 (2018) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Cytochrome P450 1A2 |
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| Name: | Cytochrome P450 1A2 |
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| Synonyms: | CP1A2_HUMAN | CYP1A2 | CYPIA2 | Cholesterol 25-hydroxylase | Cytochrome P(3)450 | Cytochrome P450 1A | Cytochrome P450 1A2 (CYP1A2) | Cytochrome P450 4 | Cytochrome P450-P3 |
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| Type: | Enzyme |
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| Mol. Mass.: | 58423.38 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P05177 |
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| Residue: | 516 |
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| Sequence: | MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPLLGHVLTLGKN
PHLALSRMSQRYGDVLQIRIGSTPVLVLSRLDTIRQALVRQGDDFKGRPDLYTSTLITDG
QSLTFSTDSGPVWAARRRLAQNALNTFSIASDPASSSSCYLEEHVSKEAKALISRLQELM
AGPGHFDPYNQVVVSVANVIGAMCFGQHFPESSDEMLSLVKNTHEFVETASSGNPLDFFP
ILRYLPNPALQRFKAFNQRFLWFLQKTVQEHYQDFDKNSVRDITGALFKHSKKGPRASGN
LIPQEKIVNLVNDIFGAGFDTVTTAISWSLMYLVTKPEIQRKIQKELDTVIGRERRPRLS
DRPQLPYLEAFILETFRHSSFLPFTIPHSTTRDTTLNGFYIPKKCCVFVNQWQVNHDPEL
WEDPSEFRPERFLTADGTAINKPLSEKMMLFGMGKRRCIGEVLAKWEIFLFLAILLQQLE
FSVPPGVKVDLTPIYGLTMKHARCEHVQARLRFSIN
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| BDBM50454644 |
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| n/a |
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| Name | BDBM50454644 |
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| Synonyms: | CHEMBL4202404 |
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| Type | Small organic molecule |
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| Emp. Form. | C21H25N5O |
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| Mol. Mass. | 363.4561 |
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| SMILES | CCCCNc1nc(N)nc2cccc(C(=O)N[C@H](C)c3ccccc3)c12 |r| |
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| Structure | 
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