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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Cannabinoid receptor 1 | ||
| Ligand | BDBM50198526 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_437693 (CHEMBL905968) | ||
| Ki | 4.1±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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| BDBM50198526 | |||
| n/a | |||
| Name | BDBM50198526 | ||
| Synonyms: | 5-cyclohexyl-1-(2,4-dichlorophenyl)-3-methyl-2-(4-(trifluoromethyl)phenyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-one | CHEMBL230571 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C27H25Cl2F3N2O | ||
| Mol. Mass. | 521.401 | ||
| SMILES | Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1ccc(cc1)C(F)(F)F)-c1ccc(Cl)cc1Cl |(24.84,-43.69,;25.32,-45.15,;26.8,-45.62,;26.81,-47.17,;28.14,-47.94,;29.49,-47.17,;29.49,-45.62,;30.82,-44.86,;32.15,-45.64,;33.48,-44.88,;33.49,-43.34,;32.16,-42.56,;30.82,-43.33,;28.14,-44.85,;28.14,-43.31,;25.34,-47.66,;24.42,-46.42,;22.88,-46.43,;22.11,-45.1,;20.57,-45.11,;19.81,-46.45,;20.6,-47.79,;22.14,-47.77,;18.27,-46.47,;16.73,-46.46,;18.28,-48.01,;18.27,-44.93,;24.87,-49.12,;23.36,-49.45,;22.9,-50.91,;23.93,-52.05,;23.47,-53.52,;25.44,-51.72,;25.91,-50.25,;27.41,-49.92,)| | ||
| Structure | 
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