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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Cannabinoid receptor 1 | ||
| Ligand | BDBM50198518 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_437693 (CHEMBL905968) | ||
| Ki | 390±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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| BDBM50198518 | |||
| n/a | |||
| Name | BDBM50198518 | ||
| Synonyms: | 5-cyclohexyl-1-(2,4-dichlorophenyl)-3-methyl-2-(pyridin-3-yl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-one | CHEMBL230990 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C25H25Cl2N3O | ||
| Mol. Mass. | 454.392 | ||
| SMILES | Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1cccnc1)-c1ccc(Cl)cc1Cl |(25.49,-21.79,;25.98,-23.25,;27.46,-23.72,;27.46,-25.27,;28.8,-26.04,;30.14,-25.27,;30.14,-23.72,;31.47,-22.95,;32.81,-23.74,;34.14,-22.97,;34.15,-21.43,;32.81,-20.66,;31.47,-21.42,;28.8,-22.94,;28.8,-21.4,;25.99,-25.75,;25.08,-24.51,;23.54,-24.52,;22.77,-25.86,;21.23,-25.87,;20.46,-24.55,;21.21,-23.21,;22.75,-23.19,;25.53,-27.22,;24.02,-27.54,;23.55,-29,;24.59,-30.14,;24.12,-31.61,;26.1,-29.81,;26.56,-28.34,;28.06,-28.01,)| | ||
| Structure | 
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