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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 = 'BDBM50309033'   
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))
BDBM50309033
PNG
((3R,6S)-1-(4-chlorophenyl)-N-cyclohexyl-6-(2,4-dic...)
Show SMILES Clc1ccc(cc1)N1C[C@@H](CC[C@H]1c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1 |r|
Show InChI InChI=1S/C24H27Cl3N2O/c25-17-7-10-20(11-8-17)29-15-16(24(30)28-19-4-2-1-3-5-19)6-13-23(29)21-12-9-18(26)14-22(21)27/h7-12,14,16,19,23H,1-6,13,15H2,(H,28,30)/t16-,23+/m1/s1
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Similars

Article
PubMed
368n/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