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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 = 'BDBM21322'   
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))
BDBM21322
PNG
(Morpholino-ethyl analogue, 43 | N-{1-[2-(morpholin...)
Show SMILES CC1(C)C(C(=O)c2cn(CCN3CCOCC3)c3cccc(NS(C)(=O)=O)c23)C1(C)C
Show InChI InChI=1S/C23H33N3O4S/c1-22(2)21(23(22,3)4)20(27)16-15-26(10-9-25-11-13-30-14-12-25)18-8-6-7-17(19(16)18)24-31(5,28)29/h6-8,15,21,24H,9-14H2,1-5H3
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Similars

Article
PubMed
>1.00E+3n/an/an/a>1.00E+4n/an/an/an/a



Abbott Laboratories



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...


J Med Chem 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
BindingDB Entry DOI: 10.7270/Q2C827K2
More data for this
Ligand-Target Pair