Reaction Details | |||
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Target | Cannabinoid receptor 1 | ||
Ligand | BDBM50198538 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_437693 (CHEMBL905968) | ||
IC50 | 37±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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BDBM50198538 | |||
n/a | |||
Name | BDBM50198538 | ||
Synonyms: | 5-cyclohexyl-1-(2,4-dichlorophenyl)-3-methyl-2-(thiophen-3-yl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-one | CHEMBL230888 | ||
Type | Small organic molecule | ||
Emp. Form. | C24H24Cl2N2OS | ||
Mol. Mass. | 459.431 | ||
SMILES | Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1ccsc1)-c1ccc(Cl)cc1Cl |(24.2,6.05,;24.68,4.59,;26.16,4.12,;26.17,2.57,;27.5,1.8,;28.84,2.57,;28.84,4.12,;30.18,4.89,;31.51,4.1,;32.84,4.86,;32.85,6.4,;31.52,7.18,;30.18,6.41,;27.5,4.9,;27.5,6.44,;24.7,2.09,;23.78,3.33,;22.25,3.32,;21.33,4.56,;19.87,4.08,;19.89,2.54,;21.36,2.08,;24.23,.62,;22.73,.3,;22.26,-1.16,;23.29,-2.3,;22.83,-3.77,;24.8,-1.97,;25.26,-.5,;26.77,-.17,)| | ||
Structure |