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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 = 'BDBM50309044'   
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))
BDBM50309044
PNG
(CHEMBL591066 | N-(2-((3S,6S)-1-(4-chlorophenyl)-6-...)
Show SMILES CC(=O)NCC[C@@H]1CC[C@H](N(C1)c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C21H23Cl3N2O/c1-14(27)25-11-10-15-2-9-21(19-8-5-17(23)12-20(19)24)26(13-15)18-6-3-16(22)4-7-18/h3-8,12,15,21H,2,9-11,13H2,1H3,(H,25,27)/t15-,21-/m0/s1
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Similars

Article
PubMed
>2.40E+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