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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 = 'BDBM50253845'   
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))
BDBM50253845
PNG
(1-(2,4-Dichlorophenyl)-4-ethyl-5-(5-(4-methylpent-...)
Show SMILES CCc1c(nn(c1-c1ccc(s1)C#CCC(C)C)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C27H30Cl2N4OS/c1-4-21-25(27(34)31-32-15-6-5-7-16-32)30-33(23-13-11-19(28)17-22(23)29)26(21)24-14-12-20(35-24)10-8-9-18(2)3/h11-14,17-18H,4-7,9,15-16H2,1-3H3,(H,31,34)
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Article
PubMed
n/an/a 1.21E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 cells


J Med Chem 51: 5397-412 (2008)


Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM
More data for this
Ligand-Target Pair