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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Cannabinoid receptor 1 | ||
| Ligand | BDBM50198536 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_437693 (CHEMBL905968) | ||
| Ki | 200±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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| BDBM50198536 | |||
| n/a | |||
| Name | BDBM50198536 | ||
| Synonyms: | 2-(4-chlorophenyl)-5-cyclohexyl-1-(2,6-dichlorophenyl)-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-one | CHEMBL389539 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C26H25Cl3N2O | ||
| Mol. Mass. | 487.848 | ||
| SMILES | Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1ccc(Cl)cc1)-c1c(Cl)cccc1Cl |(4.22,-1.31,;4.72,-2.76,;6.19,-3.23,;6.19,-4.77,;7.52,-5.53,;8.86,-4.77,;8.86,-3.23,;10.19,-2.47,;11.52,-3.26,;12.85,-2.51,;12.86,-.97,;11.54,-.19,;10.2,-.94,;7.53,-2.45,;7.53,-.9,;4.72,-5.25,;3.82,-4.08,;2.42,-4.13,;1.69,-2.94,;.29,-2.98,;-.37,-4.21,;-1.77,-4.25,;.38,-5.4,;1.77,-5.35,;4.27,-6.73,;5.34,-7.84,;6.83,-7.49,;4.89,-9.32,;3.38,-9.68,;2.32,-8.54,;2.77,-7.07,;1.27,-7.46,)| | ||
| Structure | 
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