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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Cannabinoid receptor 1 | ||
| Ligand | BDBM50600954 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_2235434 (CHEMBL5149206) | ||
| Ki | 780±n/a nM | ||
| Citation |  Gündel, D; Deuther-Conrad, W; Ueberham, L; Kaur, S; Otikova, E; Teodoro, R; Toussaint, M; Lai, TH; Clauß, O; Scheunemann, M; Bormans, G; Bachmann, M; Kopka, K; Brust, P; Moldovan, RP Structure-Based Design, Optimization, and Development of [ J Med Chem65:9034-9049 (2022) [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: |
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| BDBM50600954 | |||
| n/a | |||
| Name | BDBM50600954 | ||
| Synonyms: | CHEMBL5177464 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C20H26FN3O3 | ||
| Mol. Mass. | 375.4371 | ||
| SMILES | C[C@H]1CC[C@@H](CC1)NC(=O)c1cc2cccnc2n(CCOCCF)c1=O |r,wU:1.0,wD:4.7,(6.66,6.16,;5.33,5.39,;5.33,3.85,;4,3.08,;2.66,3.85,;2.66,5.39,;4,6.16,;1.33,3.08,;-0,3.85,;-0,5.39,;-1.34,3.08,;-2.67,3.85,;-4,3.08,;-5.33,3.85,;-6.66,3.08,;-6.66,1.54,;-5.33,.77,;-4,1.54,;-2.66,.77,;-2.66,-.77,;-4,-1.54,;-4,-3.08,;-5.33,-3.85,;-5.33,-5.39,;-6.66,-6.16,;-1.33,1.55,;-0,.78,)| | ||
| Structure | 
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