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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 = 'BDBM50042704'   
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))
BDBM50042704
PNG
(CHEMBL3353885)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCC(=O)N2c2ccc(cn2)C(F)(F)F)on1 |r|
Show InChI InChI=1/C18H19F3N4O3/c1-17(2,3)12-8-14(28-24-12)23-16(27)11-5-7-15(26)25(11)13-6-4-10(9-22-13)18(19,20)21/h4,6,8-9,11H,5,7H2,1-3H3,(H,23,27)/t11-/s2
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.190n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production after 30 mins


Bioorg Med Chem Lett 25: 581-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.019
More data for this
Ligand-Target Pair