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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Cannabinoid receptor 1 | ||
| Ligand | BDBM50600944 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_2235434 (CHEMBL5149206) | ||
| Ki | 65±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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| BDBM50600944 | |||
| n/a | |||
| Name | BDBM50600944 | ||
| Synonyms: | CHEMBL5169843 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C27H26FN3O3 | ||
| Mol. Mass. | 459.512 | ||
| SMILES | C[C@H]1CC[C@H](CC1)NC(=O)c1cc2cc(cnc2n(Cc2ccccc2F)c1=O)-c1ccco1 |r,wD:4.7,1.0,(8.58,5.01,;7.24,4.24,;5.91,5.01,;4.57,4.24,;4.57,2.7,;5.91,1.93,;7.24,2.7,;3.24,1.93,;1.91,2.7,;1.91,4.24,;.58,1.93,;-.76,2.7,;-2.09,1.93,;-3.42,2.7,;-4.75,1.93,;-4.75,.38,;-3.42,-.38,;-2.09,.39,;-.75,-.38,;-.75,-1.92,;.58,-2.69,;1.92,-1.92,;3.25,-2.69,;3.25,-4.23,;1.92,-5,;.58,-4.24,;-.75,-5.01,;.58,.4,;1.91,-.37,;-6.09,2.7,;-6.42,4.2,;-7.96,4.37,;-8.58,3,;-7.42,1.93,)| | ||
| Structure | 
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