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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Cannabinoid receptor 1 | ||
| Ligand | BDBM50198515 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_437693 (CHEMBL905968) | ||
| IC50 | 12±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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| BDBM50198515 | |||
| n/a | |||
| Name | BDBM50198515 | ||
| Synonyms: | 2-(benzo[d][1,3]dioxol-5-yl)-5-cyclohexyl-1-(2,4-dichlorophenyl)-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-one | CHEMBL230783 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C27H26Cl2N2O3 | ||
| Mol. Mass. | 497.413 | ||
| SMILES | Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1ccc2OCOc2c1)-c1ccc(Cl)cc1Cl |(1.65,-45.35,;2.14,-46.81,;3.62,-47.28,;3.63,-48.83,;4.96,-49.59,;6.3,-48.83,;6.3,-47.28,;7.63,-46.51,;8.97,-47.29,;10.3,-46.53,;10.31,-44.99,;8.97,-44.22,;7.63,-44.98,;4.96,-46.5,;4.96,-44.96,;2.15,-49.31,;1.24,-48.07,;-.3,-48.08,;-1.05,-49.42,;-2.58,-49.44,;-3.37,-48.11,;-4.89,-47.8,;-5.06,-46.26,;-3.65,-45.62,;-2.61,-46.76,;-1.07,-46.76,;1.69,-50.78,;.18,-51.1,;-.29,-52.56,;.75,-53.7,;.28,-55.17,;2.26,-53.37,;2.72,-51.9,;4.22,-51.57,)| | ||
| Structure | 
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