Reaction Details | |||
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Target | Cannabinoid receptor 2 | ||
Ligand | BDBM50298921 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_588142 (CHEMBL1049259) | ||
Ki | 373±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 2 | |||
Name: | Cannabinoid receptor 2 | ||
Synonyms: | CANNABINOID CB2 | CB-2 | CB2 | CB2A | CB2B | CNR2 | CNR2_HUMAN | CX5 | Cannabinoid CB2 receptor | Cannabinoid receptor 2 (CB2) | Cannabinoid receptor 2 (CB2R) | hCB2 | ||
Type: | G Protein-Coupled Receptor (GPCR) | ||
Mol. Mass.: | 39690.94 | ||
Organism: | Homo sapiens (Human) | ||
Description: | P34972 | ||
Residue: | 360 | ||
Sequence: |
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BDBM50298921 | |||
n/a | |||
Name | BDBM50298921 | ||
Synonyms: | CHEMBL574970 | N-(2-Bromo-3,4,5-trimethoxybenzyl)1-(2,4-difluorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methyl-1H-pyrazole-3-carboxamide | ||
Type | Small organic molecule | ||
Emp. Form. | C27H27BrF2N4O4 | ||
Mol. Mass. | 589.428 | ||
SMILES | COc1cc(CNC(=O)c2nn(c(c2C)-n2c(C)ccc2C)-c2ccc(F)cc2F)c(Br)c(OC)c1OC |(44.41,-4.05,;43.07,-4.82,;41.74,-4.05,;40.4,-4.82,;39.07,-4.05,;37.73,-4.82,;36.4,-4.05,;35.07,-4.82,;35.07,-6.36,;33.73,-4.05,;33.57,-2.51,;32.07,-2.19,;31.3,-3.53,;32.32,-4.67,;32.01,-6.18,;29.76,-3.69,;28.73,-2.54,;29.05,-1.04,;27.32,-3.17,;27.49,-4.7,;28.99,-5.02,;29.62,-6.43,;31.44,-.78,;29.9,-.62,;29.28,.78,;30.19,2.03,;29.56,3.43,;31.72,1.87,;32.34,.46,;33.88,.3,;39.07,-2.51,;37.73,-1.74,;40.4,-1.74,;40.4,-.2,;41.74,.57,;41.74,-2.51,;43.07,-1.74,;44.41,-2.51,)| | ||
Structure |