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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 = 'BDBM50340320'   
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))
BDBM50340320
PNG
(1-(3,3-difluoropyrrolidin-1-yl)-N-((4-fluorophenyl...)
Show SMILES Fc1ccc(cc1)C(NC(=O)c1nc(N2CCC(F)(F)C2)c2cnccn12)c1ccncc1
Show InChI InChI=1S/C23H19F3N6O/c24-17-3-1-15(2-4-17)19(16-5-8-27-9-6-16)29-22(33)21-30-20(18-13-28-10-12-32(18)21)31-11-7-23(25,26)14-31/h1-6,8-10,12-13,19H,7,11,14H2,(H,29,33)
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n/an/a 92n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP level


Bioorg Med Chem Lett 21: 2354-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.082
BindingDB Entry DOI: 10.7270/Q2C829MB
More data for this
Ligand-Target Pair