| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 1A2 |
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| Ligand | BDBM50516168 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1863402 (CHEMBL4364377) |
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| IC50 | >10000±n/a nM |
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| Citation |  Harvey, AJ; Avery, TD; Schaeffer, L; Joseph, C; Huff, BC; Singh, R; Morice, C; Giethlen, B; Grishin, AA; Coles, CJ; Kolesik, P; Wagner, S; Andriambeloson, E; Huyard, B; Poiraud, E; Paul, D; O'Connor, SM Discovery of BNC375, a Potent, Selective, and Orally Available Type I Positive Allosteric Modulator of ?7 nAChRs. ACS Med Chem Lett10:754-760 (2019) [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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| BDBM50516168 |
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| n/a |
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| Name | BDBM50516168 |
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| Synonyms: | CHEMBL4541269 |
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| Type | Small organic molecule |
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| Emp. Form. | C19H23ClN2O3S |
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| Mol. Mass. | 394.916 |
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| SMILES | COc1ccc(Cl)cc1NCC1C(c2ccc(cc2)S(N)(=O)=O)C1(C)C |
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| Structure | 
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