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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Cannabinoid receptor 1 | ||
| Ligand | BDBM50600950 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_2235434 (CHEMBL5149206) | ||
| Ki | 4.8±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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| BDBM50600950 | |||
| n/a | |||
| Name | BDBM50600950 | ||
| Synonyms: | CHEMBL5195027 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C20H25BrFN3O2 | ||
| Mol. Mass. | 438.334 | ||
| SMILES | CC1CCC(CC1)NC(=O)c1cc2cc(Br)cnc2n(CCCCF)c1=O |(7.33,5.77,;6,5.01,;4.66,5.77,;3.33,5.01,;3.33,3.46,;4.66,2.69,;6,3.46,;2,2.69,;.66,3.46,;.66,5.01,;-.67,2.69,;-2.01,3.46,;-3.34,2.7,;-4.66,3.47,;-6,2.7,;-7.33,3.47,;-6,1.15,;-4.66,.39,;-3.34,1.16,;-2,.39,;-2,-1.15,;-3.33,-1.92,;-3.33,-3.46,;-4.66,-4.24,;-4.66,-5.77,;-.67,1.16,;.67,.39,)| | ||
| Structure | 
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