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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Cannabinoid receptor 1 | ||
| Ligand | BDBM50341002 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_740155 (CHEMBL1763215) | ||
| EC50 | >20000±n/a nM | ||
| 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 | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Cannabinoid receptor 1 | |||
| Name: | Cannabinoid receptor 1 | ||
| Synonyms: | CANN6 | CANNABINOID CB1 | CB-R | CB1 | CNR | CNR1 | CNR1_HUMAN | Cannabinoid CB1 receptor | Cannabinoid receptor | Cannabinoid receptor 1 (CB1) | Cannabinoid receptor 1 (brain) | ||
| Type: | G Protein-Coupled Receptor (GPCR) | ||
| Mol. Mass.: | 52868.96 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P21554 | ||
| Residue: | 472 | ||
| Sequence: |
| ||
| BDBM50341002 | |||
| n/a | |||
| Name | BDBM50341002 | ||
| Synonyms: | CHEMBL1762421 | cis-N-(5-tert-butylisoxazol-3-yl)-4-(4-hydroxycyclohexanecarbonyl)-1,4-diazepane-1-carboxamide | ||
| Type | Small organic molecule | ||
| Emp. Form. | C20H32N4O4 | ||
| Mol. Mass. | 392.4925 | ||
| SMILES | CC(C)(C)c1cc(NC(=O)N2CCCN(CC2)C(=O)[C@@H]2CC[C@H](O)CC2)no1 |r,wU:19.19,22.23,(28.39,-33.64,;27.16,-32.72,;27.34,-31.19,;28.48,-31.94,;25.75,-33.33,;24.42,-32.55,;23.26,-33.57,;21.76,-33.23,;20.72,-34.37,;21.18,-35.84,;19.22,-34.03,;18.87,-32.54,;17.47,-31.89,;16.06,-32.63,;15.8,-34.11,;16.75,-35.29,;18.23,-35.29,;14.31,-34.49,;13.89,-35.98,;13.23,-33.39,;13.65,-31.91,;12.58,-30.82,;11.09,-31.19,;10.02,-30.09,;10.67,-32.68,;11.75,-33.78,;23.88,-34.98,;25.41,-34.84,)| | ||
| Structure | 
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