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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Cannabinoid receptor 1 | ||
| Ligand | BDBM50198529 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_437693 (CHEMBL905968) | ||
| Ki | 5.5±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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| BDBM50198529 | |||
| n/a | |||
| Name | BDBM50198529 | ||
| Synonyms: | 5-cyclohexyl-1-(2,4-dichlorophenyl)-2-(3,4-dimethoxyphenyl)-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-one | CHEMBL230782 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C28H30Cl2N2O3 | ||
| Mol. Mass. | 513.455 | ||
| SMILES | COc1ccc(cc1OC)-c1c(C)c2c(CCN(C3CCCCC3)C2=O)n1-c1ccc(Cl)cc1Cl |(17.67,-33.55,;18.45,-34.87,;19.99,-34.86,;20.78,-36.19,;22.31,-36.17,;23.06,-34.83,;22.29,-33.51,;20.75,-33.52,;19.97,-32.19,;20.73,-30.85,;24.6,-34.82,;25.5,-33.56,;25.02,-32.1,;26.98,-34.03,;26.99,-35.58,;28.32,-36.35,;29.66,-35.58,;29.66,-34.03,;31,-33.26,;32.33,-34.04,;33.66,-33.28,;33.67,-31.74,;32.34,-30.97,;31,-31.73,;28.32,-33.25,;28.32,-31.71,;25.52,-36.06,;25.05,-37.53,;23.54,-37.85,;23.08,-39.31,;24.11,-40.45,;23.65,-41.92,;25.62,-40.12,;26.08,-38.65,;27.59,-38.32,)| | ||
| Structure | 
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