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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM50329143'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50329143
PNG
(1,1,1-trifluoro-N-(((3S,4S)-1-(1-(2-fluorophenylsu...)
Show SMILES C[C@@H]1CN(CC[C@@H]1CNS(=O)(=O)C(F)(F)F)S(=O)(=O)c1cc2ccccc2n1S(=O)(=O)c1ccccc1F |r|
Show InChI InChI=1S/C22H23F4N3O6S3/c1-15-14-28(11-10-17(15)13-27-38(34,35)22(24,25)26)37(32,33)21-12-16-6-2-4-8-19(16)29(21)36(30,31)20-9-5-3-7-18(20)23/h2-9,12,15,17,27H,10-11,13-14H2,1H3/t15-,17-/m1/s1
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PC cid
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Article
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1.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of beta-arrestin binding to recombinant cannabinoid CB2 receptor


Bioorg Med Chem Lett 20: 6785-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.126
BindingDB Entry DOI: 10.7270/Q26Q1XGJ
More data for this
Ligand-Target Pair