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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 = 'BDBM50320178'   
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))
BDBM50320178
PNG
(6-(4-CHLOROPHENYL)-7-(2,4-DICHLOROPHENYL)-2,2-DIME...)
Show SMILES CC1(C)CC(C(N)=O)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H19Cl3N2O2/c1-23(2)11-18(21(27)29)17-10-16(12-3-5-13(24)6-4-12)20(28-22(17)30-23)15-8-7-14(25)9-19(15)26/h3-10,18H,11H2,1-2H3,(H2,27,29)
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PC cid
PC sid
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Article
PubMed
n/an/a 2.48E+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