| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 1A2 |
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| Ligand | BDBM50434279 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_961653 (CHEMBL2389154) |
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| IC50 | >10000±n/a nM |
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| Citation |  Dreyfus, N; Myers, JK; Badescu, VO; de Frutos, O; de la Puente, ML; Ding, C; Filla, SA; Fynboe, K; Gernert, DL; Heinz, BA; Hemrick-Luecke, SK; Johnson, KW; Johnson, MP; López, P; Love, PL; Martin, LJ; Masquelin, T; McCoy, MJ; Mendiola, J; Morrow, D; Muhlhauser, M; Pascual, G; Perun, TJ; Pfeifer, LA; Phebus, LA; Richards, SJ; Rincón, JA; Seest, EP; Shah, J; Shaojuan, J; Simmons, RM; Stephenson, GA; Tromiczak, EG; Thompson, LK; Walter, MW; Weber, WW; Zarrinmayeh, H; Thomas, CE; Joshi, E; Iyengar, S; Johansson, AM Discovery of a potent, dual serotonin and norepinephrine reuptake inhibitor. ACS Med Chem Lett4:560-4 (2013) [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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| BDBM50434279 |
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| n/a |
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| Name | BDBM50434279 |
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| Synonyms: | CHEMBL2386162 |
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| Type | Small organic molecule |
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| Emp. Form. | C16H26N2O2 |
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| Mol. Mass. | 278.3898 |
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| SMILES | COc1ccc(O[C@@H](CC(C)C)[C@H]2CCNC2)c(C)n1 |r| |
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| Structure | 
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