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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Cannabinoid receptor 1 | ||
| Ligand | BDBM50198509 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_437693 (CHEMBL905968) | ||
| IC50 | 40±n/a nM | ||
| Citation |  Smith, RA; Fathi, Z; Brown, SE; Choi, S; Fan, J; Jenkins, S; Kluender, HC; Konkar, A; Lavoie, R; Mays, R; Natoli, J; O'Connor, SJ; Ortiz, AA; Podlogar, B; Taing, C; Tomlinson, S; Tritto, T; Zhang, Z Constrained analogs of CB-1 antagonists: 1,5,6,7-Tetrahydro-4H-pyrrolo[3,2-c]pyridine-4-one derivatives. Bioorg Med Chem Lett17:673-8 (2007) [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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| BDBM50198509 | |||
| n/a | |||
| Name | BDBM50198509 | ||
| Synonyms: | 5-cyclohexyl-2-(4-fluorophenyl)-3-methyl-1-o-tolyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-one | CHEMBL231098 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C27H29FN2O | ||
| Mol. Mass. | 416.5304 | ||
| SMILES | Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1ccc(F)cc1)-c1ccccc1C |(26.04,-9.18,;26.53,-10.64,;28.01,-11.11,;28.02,-12.66,;29.35,-13.43,;30.69,-12.66,;30.69,-11.11,;32.02,-10.34,;33.36,-11.12,;34.69,-10.36,;34.7,-8.82,;33.37,-8.05,;32.03,-8.81,;29.35,-10.33,;29.35,-8.79,;26.54,-13.14,;25.63,-11.9,;24.09,-11.91,;23.32,-10.59,;21.78,-10.6,;21.02,-11.94,;19.48,-11.95,;21.81,-13.27,;23.34,-13.25,;26.08,-14.61,;24.57,-14.93,;24.1,-16.39,;25.14,-17.53,;26.65,-17.2,;27.11,-15.74,;28.61,-15.4,)| | ||
| Structure | 
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