| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 1A2 |
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| Ligand | BDBM50146154 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1554792 (CHEMBL3766304) |
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| IC50 | >100000±n/a nM |
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| Citation |  Edmondson, SD; Zhu, C; Kar, NF; Di Salvo, J; Nagabukuro, H; Sacre-Salem, B; Dingley, K; Berger, R; Goble, SD; Morriello, G; Harper, B; Moyes, CR; Shen, DM; Wang, L; Ball, R; Fitzmaurice, A; Frenkl, T; Gichuru, LN; Ha, S; Hurley, AL; Jochnowitz, N; Levorse, D; Mistry, S; Miller, RR; Ormes, J; Salituro, GM; Sanfiz, A; Stevenson, AS; Villa, K; Zamlynny, B; Green, S; Struthers, M; Weber, AE Discovery of Vibegron: A Potent and Selectiveß3 Adrenergic Receptor Agonist for the Treatment of Overactive Bladder. J Med Chem59:609-23 (2016) [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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| BDBM50146154 |
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| n/a |
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| Name | BDBM50146154 |
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| Synonyms: | KRP-114V | MK-4618 | Vibegron |
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| Type | Small organic molecule |
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| Emp. Form. | C26H28N4O3 |
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| Mol. Mass. | 444.5255 |
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| SMILES | [H][C@@](O)(c1ccccc1)[C@@]1([H])CC[C@@]([H])(Cc2ccc(NC(=O)[C@]3([H])CCc4nccc(=O)n34)cc2)N1 |r| |
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| Structure | 
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