Reaction Details | |||
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Target | Cannabinoid receptor 1 | ||
Ligand | BDBM50600945 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_2235434 (CHEMBL5149206) | ||
Ki | >10000±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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BDBM50600945 | |||
n/a | |||
Name | BDBM50600945 | ||
Synonyms: | CHEMBL5182420 | ||
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,wU:1.0,wD:4.7,(8.58,5.01,;7.24,4.24,;7.24,2.7,;5.91,1.93,;4.57,2.7,;4.57,4.24,;5.91,5.01,;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 |