Reaction Details | |||
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Target | Cannabinoid receptor 2 | ||
Ligand | BDBM50271288 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_552828 (CHEMBL957299) | ||
Ki | 1781±n/a nM | ||
Citation | Zhang, Y; Burgess, JP; Brackeen, M; Gilliam, A; Mascarella, SW; Page, K; Seltzman, HH; Thomas, BF Conformationally constrained analogues of N-(piperidinyl)-5-(4-chlorophenyl)-1-(2,4- dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxamide (SR141716): design, synthesis, computational analysis, and biological evaluations. J Med Chem51:3526-39 (2008) [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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BDBM50271288 | |||
n/a | |||
Name | BDBM50271288 | ||
Synonyms: | 5-(4-Chloro-2-methylphenyl)-4-methyl-N-piperidin-1-yl-1-(2,4,6-trichlorophenyl)-1H-pyrazole-3-carboxamide | CHEMBL484506 | ||
Type | Small organic molecule | ||
Emp. Form. | C23H22Cl4N4O | ||
Mol. Mass. | 512.259 | ||
SMILES | Cc1c(nn(c1-c1ccc(Cl)cc1C)-c1c(Cl)cc(Cl)cc1Cl)C(=O)NN1CCCCC1 |(-5.62,-17.45,;-4.47,-18.47,;-2.96,-18.14,;-2.19,-19.47,;-3.21,-20.62,;-4.62,-20,;-5.95,-20.77,;-5.95,-22.32,;-7.29,-23.1,;-8.62,-22.33,;-9.96,-23.09,;-8.62,-20.78,;-7.29,-20.01,;-7.3,-18.47,;-2.88,-22.12,;-1.42,-22.59,;-.29,-21.55,;-1.09,-24.09,;-2.23,-25.13,;-1.9,-26.64,;-3.7,-24.66,;-4.03,-23.16,;-5.49,-22.69,;-2.35,-16.73,;-3.26,-15.49,;-.81,-16.56,;-.2,-15.15,;1.34,-14.99,;1.96,-13.6,;1.06,-12.35,;-.47,-12.51,;-1.1,-13.92,)| | ||
Structure |