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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Cannabinoid receptor 1 | ||
| Ligand | BDBM50298955 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_588141 (CHEMBL1049258) | ||
| Ki | 144±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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| BDBM50298955 | |||
| n/a | |||
| Name | BDBM50298955 | ||
| Synonyms: | CHEMBL574965 | N-(2-Bromo-3,4,5-trimethoxybenzyl)1-(2,4-dichlorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methyl-1H-pyrazole-3-carboxamide | ||
| Type | Small organic molecule | ||
| Emp. Form. | C27H27BrCl2N4O4 | ||
| Mol. Mass. | 622.338 | ||
| SMILES | COc1cc(CNC(=O)c2nn(c(c2C)-n2c(C)ccc2C)-c2ccc(Cl)cc2Cl)c(Br)c(OC)c1OC |(3.97,-30.56,;5.5,-30.4,;6.4,-31.64,;7.94,-31.48,;8.84,-32.73,;10.37,-32.56,;11.28,-33.81,;12.81,-33.65,;13.43,-32.24,;13.72,-34.89,;13.24,-36.36,;14.49,-37.27,;15.74,-36.36,;15.26,-34.9,;16.16,-33.65,;17.19,-36.83,;17.67,-38.3,;17.12,-39.54,;19.21,-38.3,;19.69,-36.83,;18.44,-35.93,;18.44,-34.39,;14.49,-38.81,;15.82,-39.58,;15.82,-41.12,;14.49,-41.88,;14.49,-43.43,;13.16,-41.12,;13.15,-39.58,;11.82,-38.81,;8.21,-34.13,;9.12,-35.38,;6.69,-34.3,;6.06,-35.7,;4.53,-35.86,;5.78,-33.05,;4.24,-33.21,;3.34,-31.97,)| | ||
| Structure | 
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