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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 = 'BDBM50309048'   
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))
BDBM50309048
PNG
(2-((3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichloropheny...)
Show SMILES NCC[C@@H]1CC[C@H](N(C1)c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C19H21Cl3N2/c20-14-2-5-16(6-3-14)24-12-13(9-10-23)1-8-19(24)17-7-4-15(21)11-18(17)22/h2-7,11,13,19H,1,8-10,12,23H2/t13-,19-/m0/s1
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Similars

Article
PubMed
>2.22E+3n/an/an/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: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
BindingDB Entry DOI: 10.7270/Q2B27W7Z
More data for this
Ligand-Target Pair