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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 = 'BDBM50042595'   
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))
BDBM50042595
PNG
(CHEMBL3353888)
Show SMILES CC(C)(CO)c1cc(NC(=O)[C@@H]2CCC(=O)N2c2ccc(cc2)C(F)(F)F)on1 |r|
Show InChI InChI=1S/C19H20F3N3O4/c1-18(2,10-26)14-9-15(29-24-14)23-17(28)13-7-8-16(27)25(13)12-5-3-11(4-6-12)19(20,21)22/h3-6,9,13,26H,7-8,10H2,1-2H3,(H,23,28)/t13-/m0/s1
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Similars

Article
PubMed
n/an/an/an/a 38n/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
BindingDB Entry DOI: 10.7270/Q2CN75H1
More data for this
Ligand-Target Pair