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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Cannabinoid receptor 1 | ||
| Ligand | BDBM50198510 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_437693 (CHEMBL905968) | ||
| Ki | 20±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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| BDBM50198510 | |||
| n/a | |||
| Name | BDBM50198510 | ||
| Synonyms: | 1-(2-chlorophenyl)-2-(4-methoxyphenyl)-3-methyl-5-(piperidin-1-yl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-one | CHEMBL231202 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C26H28ClN3O2 | ||
| Mol. Mass. | 449.972 | ||
| SMILES | COc1ccc(cc1)-c1c(C)c2c(CCN(N3CCCCC3)C2=O)n1-c1ccccc1Cl |(14.72,-23.46,;15.5,-24.79,;17.04,-24.77,;17.8,-23.43,;19.34,-23.42,;20.11,-24.75,;19.36,-26.09,;17.83,-26.11,;21.65,-24.74,;22.55,-23.47,;22.07,-22.01,;24.03,-23.94,;24.04,-25.49,;25.37,-26.26,;26.71,-25.49,;26.71,-23.95,;28.05,-23.18,;29.38,-23.96,;30.71,-23.2,;30.72,-21.66,;29.39,-20.88,;28.05,-21.65,;25.37,-23.17,;25.37,-21.63,;22.57,-25.98,;22.1,-27.44,;20.59,-27.77,;20.13,-29.23,;21.16,-30.37,;22.67,-30.04,;23.13,-28.57,;24.64,-28.24,)| | ||
| Structure | 
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