Reaction Details | |||
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Target | Cannabinoid receptor 1 | ||
Ligand | BDBM50310044 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_612189 (CHEMBL1074127) | ||
IC50 | 14.2±n/a nM | ||
Citation | Seo, HJ; Kim, MJ; Lee, SH; Lee, SH; Jung, ME; Kim, MS; Ahn, K; Kim, J; Lee, J Synthesis and structure-activity relationship of 1,2,4-triazole-containing diarylpyrazolyl carboxamide as CB1 cannabinoid receptor-ligand. Bioorg Med Chem18:1149-62 (2010) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Cannabinoid receptor 1 | |||
Name: | Cannabinoid receptor 1 | ||
Synonyms: | Brain-type cannabinoid receptor | CANNABINOID CB1 | CB-R | CB1 | CNR1_RAT | Cannabinoid CB1 receptor | Cannabinoid receptor | Cannabinoid receptor 1 (CB1) | Cnr1 | Skr6 | ||
Type: | G Protein-Coupled Receptor (GPCR) | ||
Mol. Mass.: | 52856.55 | ||
Organism: | Rattus norvegicus (rat) | ||
Description: | P20272 | ||
Residue: | 473 | ||
Sequence: |
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BDBM50310044 | |||
n/a | |||
Name | BDBM50310044 | ||
Synonyms: | 4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-((1R,4R)-4-methylcyclohexyl)-1H-pyrazole-3-carboxamide | CHEMBL598091 | ||
Type | Small organic molecule | ||
Emp. Form. | C26H25Cl3N6O | ||
Mol. Mass. | 543.875 | ||
SMILES | C[C@H]1CC[C@@H](CC1)NC(=O)c1nn(c(c1Cn1cncn1)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |r,wU:4.7,wD:1.0,(26.91,-26.66,;25.37,-26.65,;24.61,-25.32,;23.06,-25.31,;22.3,-26.64,;23.06,-27.98,;24.59,-27.98,;20.76,-26.64,;19.98,-25.31,;20.75,-23.97,;18.44,-25.31,;17.54,-26.56,;16.08,-26.1,;16.07,-24.55,;17.53,-24.07,;18.14,-22.65,;17.21,-21.42,;15.67,-21.45,;15.17,-19.99,;16.4,-19.07,;17.66,-19.95,;14.73,-23.81,;14.7,-22.27,;13.35,-21.53,;12.03,-22.33,;10.68,-21.59,;12.07,-23.87,;13.42,-24.61,;14.75,-26.87,;13.41,-26.11,;12.09,-26.88,;12.08,-28.43,;10.75,-29.19,;13.41,-29.2,;14.76,-28.43,;16.09,-29.19,)| | ||
Structure |