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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50149129'   
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
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50149129
PNG
(4-(8-Biphenyl-4-yl-3H-[1,2,4]triazolo[5,1-i]purin-...)
Show SMILES OC(=O)CCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H18N6O2/c29-18(30)8-4-7-17-25-21-19(23-13-24-21)22-26-20(27-28(17)22)16-11-9-15(10-12-16)14-5-2-1-3-6-14/h1-3,5-6,9-13H,4,7-8H2,(H,23,24)(H,29,30)
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Similars

Article
PubMed
n/an/a 8.70n/an/an/an/an/an/a



Otsuka Pharmaceutical Factory, Inc.

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK-293 cells


Bioorg Med Chem Lett 14: 3775-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.099
BindingDB Entry DOI: 10.7270/Q21R6PZM
More data for this
Ligand-Target Pair