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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 = 'BDBM50156098'   
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))
BDBM50156098
PNG
(CHEMBL3781848)
Show SMILES COc1ccc(CNC(=O)c2c(O)c3cc(ccc3n(CCCCO)c2=O)-c2cccs2)cc1
Show InChI InChI=1S/C26H26N2O5S/c1-33-19-9-6-17(7-10-19)16-27-25(31)23-24(30)20-15-18(22-5-4-14-34-22)8-11-21(20)28(26(23)32)12-2-3-13-29/h4-11,14-15,29-30H,2-3,12-13,16H2,1H3,(H,27,31)
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PC sid
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2.24E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells after 90 mins by Competition binding assay


J Med Chem 59: 1052-67 (2016)


BindingDB Entry DOI: 10.7270/Q2GB25XB
More data for this
Ligand-Target Pair