Reaction Details | |||
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Target | Cannabinoid receptor 1 | ||
Ligand | BDBM50298933 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_588141 (CHEMBL1049258) | ||
Ki | >2820±n/a nM | ||
Citation | Silvestri, R; Ligresti, A; La Regina, G; Piscitelli, F; Gatti, V; Brizzi, A; Pasquini, S; Lavecchia, A; Allarà, M; Fantini, N; Carai, MA; Novellino, E; Colombo, G; Di Marzo, V; Corelli, F Synthesis, cannabinoid receptor affinity, molecular modeling studies and in vivo pharmacological evaluation of new substituted 1-aryl-5-(1H-pyrrol-1-yl)-1H-pyrazole-3-carboxamides. 2. Effect of the 3-carboxamide substituent on the affinity and selectivity profile. Bioorg Med Chem17:5549-64 (2009) [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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BDBM50298933 | |||
n/a | |||
Name | BDBM50298933 | ||
Synonyms: | CHEMBL574279 | N-(4-Chlorobenzhydryl)1-(3,4-dichlorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methyl-1H-pyrazole-3-carboxamide | ||
Type | Small organic molecule | ||
Emp. Form. | C30H25Cl3N4O | ||
Mol. Mass. | 563.905 | ||
SMILES | Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)c(Cl)c1)C(=O)NC(c1ccccc1)c1ccc(Cl)cc1 |(33.1,-39.67,;33.94,-38.37,;35.47,-38.3,;35.87,-36.8,;34.58,-35.97,;34.49,-34.43,;33.38,-36.94,;31.89,-36.55,;31.34,-35.1,;32.18,-33.81,;29.8,-35.19,;29.4,-36.68,;30.7,-37.52,;30.78,-39.05,;29.49,-39.9,;29.57,-41.43,;30.95,-42.13,;31.03,-43.67,;32.23,-41.29,;33.61,-41.99,;32.16,-39.75,;28.83,-33.99,;29.38,-32.55,;27.31,-34.24,;26.33,-33.04,;26.88,-31.6,;28.4,-31.36,;28.95,-29.92,;27.98,-28.73,;26.45,-28.98,;25.91,-30.42,;24.81,-33.29,;23.84,-32.09,;22.32,-32.34,;21.77,-33.78,;20.25,-34.02,;22.75,-34.98,;24.27,-34.73,)| | ||
Structure |