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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 = 'BDBM50082773'   
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))
BDBM50082773
PNG
(CHEMBL3422789)
Show SMILES CC1CCC(CC1)NC(=O)c1cc2ccccc2n(CCCO)c1=O |(9.06,6.01,;7.99,5.4,;6.66,6.17,;5.33,5.4,;5.33,3.86,;6.66,3.09,;7.99,3.86,;3.99,3.08,;3.99,1.54,;5.06,.93,;2.66,.77,;1.33,1.54,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;1.33,-3.08,;2.67,-3.85,;2.67,-5.39,;3.74,-6,;2.66,-.77,;3.73,-1.38,)|
Show InChI InChI=1S/C20H26N2O3/c1-14-7-9-16(10-8-14)21-19(24)17-13-15-5-2-3-6-18(15)22(20(17)25)11-4-12-23/h2-3,5-6,13-14,16,23H,4,7-12H2,1H3,(H,21,24)
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PC cid
PC sid
UniChem
Article
PubMed
36n/an/an/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from recombinant human CB2 receptor overexpressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 97: 10-8 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.034
BindingDB Entry DOI: 10.7270/Q2VQ34DS
More data for this
Ligand-Target Pair