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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 = 'BDBM50320199'   
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))
BDBM50320199
PNG
(7'-(2-chlorophenyl)-6'-(4-chlorophenyl)spiro[cyclo...)
Show SMILES Clc1ccc(cc1)-c1cc2C(=O)CC3(CCCC3)Oc2nc1-c1ccccc1Cl
Show InChI InChI=1S/C24H19Cl2NO2/c25-16-9-7-15(8-10-16)18-13-19-21(28)14-24(11-3-4-12-24)29-23(19)27-22(18)17-5-1-2-6-20(17)26/h1-2,5-10,13H,3-4,11-12,14H2
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Article
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
BindingDB Entry DOI: 10.7270/Q22F7NNR
More data for this
Ligand-Target Pair