Reaction Details | |||
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Target | Cannabinoid receptor 1 | ||
Ligand | BDBM50198521 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_437693 (CHEMBL905968) | ||
IC50 | 9.3±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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BDBM50198521 | |||
n/a | |||
Name | BDBM50198521 | ||
Synonyms: | 5-cyclohexyl-3-methyl-1-o-tolyl-2-(4-(trifluoromethyl)phenyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-one | CHEMBL387609 | ||
Type | Small organic molecule | ||
Emp. Form. | C28H29F3N2O | ||
Mol. Mass. | 466.5379 | ||
SMILES | Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1ccc(cc1)C(F)(F)F)-c1ccccc1C |(-.13,-9.49,;.36,-10.95,;1.84,-11.42,;1.85,-12.97,;3.18,-13.74,;4.52,-12.97,;4.52,-11.42,;5.86,-10.65,;7.19,-11.43,;8.52,-10.67,;8.53,-9.13,;7.2,-8.36,;5.86,-9.12,;3.18,-10.64,;3.18,-9.1,;.38,-13.45,;-.54,-12.21,;-2.08,-12.22,;-2.85,-10.9,;-4.39,-10.91,;-5.15,-12.25,;-4.36,-13.58,;-2.83,-13.56,;-6.69,-12.26,;-8.24,-12.26,;-6.69,-13.8,;-6.69,-10.72,;-.09,-14.92,;-1.6,-15.24,;-2.07,-16.71,;-1.03,-17.85,;.48,-17.51,;.94,-16.05,;2.44,-15.71,)| | ||
Structure |