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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 = 'BDBM50306003'   
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))
BDBM50306003
PNG
(1,1,1-trifluoro-N-(6-(2-(2-fluorophenylsulfonyl)-5...)
Show SMILES Fc1ccccc1S(=O)(=O)c1ccc(cc1S(=O)(=O)N1CCC2(CC2NS(=O)(=O)C(F)(F)F)CC1)C(F)(F)F
Show InChI InChI=1S/C21H19F7N2O6S3/c22-14-3-1-2-4-15(14)37(31,32)16-6-5-13(20(23,24)25)11-17(16)38(33,34)30-9-7-19(8-10-30)12-18(19)29-39(35,36)21(26,27)28/h1-6,11,18,29H,7-10,12H2
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2n/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: 608-11 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.084
BindingDB Entry DOI: 10.7270/Q2SB45V0
More data for this
Ligand-Target Pair