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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 = 'BDBM50253916'   
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))
BDBM50253916
PNG
(CHEMBL461427 | N-(Azepan-1-yl)-5-(5-(but-1-ynyl)th...)
Show SMILES CCC#Cc1ccc(s1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCCC1
Show InChI InChI=1S/C25H26Cl2N4OS/c1-3-4-9-19-11-13-22(33-19)24-17(2)23(25(32)29-30-14-7-5-6-8-15-30)28-31(24)21-12-10-18(26)16-20(21)27/h10-13,16H,3,5-8,14-15H2,1-2H3,(H,29,32)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.06E+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