Reaction Details | |||
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Target | Cannabinoid receptor 1 | ||
Ligand | BDBM50298919 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_588141 (CHEMBL1049258) | ||
Ki | 54±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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BDBM50298919 | |||
n/a | |||
Name | BDBM50298919 | ||
Synonyms: | CHEMBL574971 | N-[2-(3,4-Dichlorophenyl)ethyl]1-(2,4-difluorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methyl-1H-pyrazole-3-carboxamide | ||
Type | Small organic molecule | ||
Emp. Form. | C25H22Cl2F2N4O | ||
Mol. Mass. | 503.371 | ||
SMILES | Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(F)cc1F)C(=O)NCCc1ccc(Cl)c(Cl)c1 |(30.25,-15.79,;29.78,-14.32,;30.68,-13.07,;29.78,-11.83,;28.32,-12.31,;27.07,-11.4,;28.32,-13.84,;27.07,-14.75,;25.61,-14.27,;25.13,-12.81,;24.7,-15.52,;25.61,-16.77,;27.07,-16.29,;28.32,-17.19,;29.72,-16.57,;30.96,-17.47,;30.81,-19,;32.05,-19.9,;29.4,-19.63,;28.15,-18.72,;26.75,-19.34,;23.16,-15.52,;22.39,-14.18,;22.39,-16.84,;20.86,-16.84,;20.09,-18.18,;18.55,-18.18,;17.78,-16.84,;16.24,-16.84,;15.47,-18.18,;13.93,-18.18,;16.24,-19.51,;15.47,-20.85,;17.78,-19.51,)| | ||
Structure |