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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 = 'BDBM50213900'   
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))
BDBM50213900
PNG
(3-[(Z)-benzo[1,2,5]oxadiazol-4-ylimino]-2-thia-4-a...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1cccc2nonc12
Show InChI InChI=1S/C17H20N4OS3/c1-24-16(23)21-10-17(8-3-2-4-9-17)11-25-15(21)18-12-6-5-7-13-14(12)20-22-19-13/h5-7H,2-4,8-11H2,1H3/b18-15-
PDB

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PC cid
PC sid
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Article
PubMed
0.900n/an/an/an/an/an/an/an/a



Shionogi & Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
BindingDB Entry DOI: 10.7270/Q2RX9BR5
More data for this
Ligand-Target Pair