Reaction Details | |||
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Target | Cannabinoid receptor 1 | ||
Ligand | BDBM50298918 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_588141 (CHEMBL1049258) | ||
Ki | 99±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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BDBM50298918 | |||
n/a | |||
Name | BDBM50298918 | ||
Synonyms: | CHEMBL576977 | N-[2-(3-Chloro-4-methoxyphenyl)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. | C26H25ClF2N4O2 | ||
Mol. Mass. | 498.952 | ||
SMILES | COc1ccc(CCNC(=O)c2nn(c(c2C)-n2c(C)ccc2C)-c2ccc(F)cc2F)cc1Cl |(-8.59,-31.59,;-7.82,-30.25,;-6.28,-30.25,;-5.51,-28.92,;-3.97,-28.92,;-3.19,-30.25,;-1.65,-30.25,;-.89,-28.92,;.65,-28.92,;1.43,-27.59,;.65,-26.26,;2.97,-27.59,;3.87,-28.83,;5.34,-28.36,;5.34,-26.82,;3.87,-26.34,;3.4,-24.88,;6.58,-25.91,;8.05,-26.38,;8.52,-27.86,;8.96,-25.14,;8.05,-23.9,;6.58,-24.37,;5.34,-23.47,;6.58,-29.26,;7.99,-28.64,;9.24,-29.54,;9.08,-31.07,;10.32,-31.97,;7.67,-31.7,;6.42,-30.8,;5.02,-31.42,;-3.97,-31.59,;-5.51,-31.59,;-6.28,-32.92,)| | ||
Structure |