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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 = 'BDBM50320176'   
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))
BDBM50320176
PNG
(CHEMBL1083025 | N-(6-(4-CHLOROPHENYL)-7-(2,4-DICHL...)
Show SMILES CC1(C)CC(NC(=O)CCO)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C25H23Cl3N2O3/c1-25(2)13-21(29-22(32)9-10-31)19-12-18(14-3-5-15(26)6-4-14)23(30-24(19)33-25)17-8-7-16(27)11-20(17)28/h3-8,11-12,21,31H,9-10,13H2,1-2H3,(H,29,32)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.46E+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