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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 = 'BDBM50082771'   
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))
BDBM50082771
PNG
(CHEMBL3422792)
Show SMILES CCCCn1c2ncccc2c(O)c(C(=O)NC2CCC(C)CC2)c1=O |(3.74,-6,;2.67,-5.39,;2.67,-3.85,;1.33,-3.08,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;1.33,2.77,;2.66,.77,;3.99,1.54,;5.06,.93,;3.99,3.08,;5.33,3.86,;5.33,5.4,;6.66,6.17,;7.99,5.4,;9.06,6.01,;7.99,3.86,;6.66,3.09,;2.66,-.77,;3.73,-1.38,)|
Show InChI InChI=1S/C20H27N3O3/c1-3-4-12-23-18-15(6-5-11-21-18)17(24)16(20(23)26)19(25)22-14-9-7-13(2)8-10-14/h5-6,11,13-14,24H,3-4,7-10,12H2,1-2H3,(H,22,25)
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PC cid
PC sid
UniChem
Article
PubMed
11n/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