| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 2D6 |
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| Ligand | BDBM50341008 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_740158 (CHEMBL1763218) |
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| IC50 | >30000±n/a nM |
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| Citation |  Riether, D; Wu, L; Cirillo, PF; Berry, A; Walker, ER; Ermann, M; Noya-Marino, B; Jenkins, JE; Albaugh, D; Albrecht, C; Fisher, M; Gemkow, MJ; Grbic, H; Löbbe, S; Möller, C; O'Shea, K; Sauer, A; Shih, DT; Thomson, DS 1,4-Diazepane compounds as potent and selective CB2 agonists: optimization of metabolic stability. Bioorg Med Chem Lett21:2011-6 (2011) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Cytochrome P450 2D6 |
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| Name: | Cytochrome P450 2D6 |
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| Synonyms: | CP2D6_HUMAN | CYP2D6 | CYP2DL1 | CYPIID6 | Cytochrome P450 2D6 (CYP2D6) | Debrisoquine 4-hydroxylase | P450-DB1 |
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| Type: | Protein |
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| Mol. Mass.: | 55774.82 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P10635 |
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| Residue: | 497 |
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| Sequence: | MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVDFQNTPYCFDQ
LRRRFGDVFSLQLAWTPVVVLNGLAAVREALVTHGEDTADRPPVPITQILGFGPRSQGVF
LARYGPAWREQRRFSVSTLRNLGLGKKSLEQWVTEEAACLCAAFANHSGRPFRPNGLLDK
AVSNVIASLTCGRRFEYDDPRFLRLLDLAQEGLKEESGFLREVLNAVPVLLHIPALAGKV
LRFQKAFLTQLDELLTEHRMTWDPAQPPRDLTEAFLAEMEKAKGNPESSFNDENLRIVVA
DLFSAGMVTTSTTLAWGLLLMILHPDVQRRVQQEIDDVIGQVRRPEMGDQAHMPYTTAVI
HEVQRFGDIVPLGVTHMTSRDIEVQGFRIPKGTTLITNLSSVLKDEAVWEKPFRFHPEHF
LDAQGHFVKPEAFLPFSAGRRACLGEPLARMELFLFFTSLLQHFSFSVPTGQPRPSHHGV
FAFLVSPSPYELCAVPR
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| BDBM50341008 |
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| n/a |
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| Name | BDBM50341008 |
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| Synonyms: | 4-[2-(1,1-Dioxo-1lambda*6*-thiomorpholin-4-yl)-acetyl]-[1,4]diazepane-1-carboxylic acid(5-tert-butyl-isoxazol-3-yl)-amide | CHEMBL1762427 |
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| Type | Small organic molecule |
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| Emp. Form. | C19H31N5O5S |
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| Mol. Mass. | 441.545 |
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| SMILES | CC(C)(C)c1cc(NC(=O)N2CCCN(CC2)C(=O)CN2CCS(=O)(=O)CC2)no1 |
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| Structure | 
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