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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 = 'BDBM50355169'   
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))
BDBM50355169
PNG
(CHEMBL1834627)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccc(F)cc1)n1nc(nc21)-c1ccc(Br)cc1
Show InChI InChI=1S/C20H14BrFN8O/c1-29-10-15-17(27-29)25-19(26-20(31)23-14-8-6-13(22)7-9-14)30-18(15)24-16(28-30)11-2-4-12(21)5-3-11/h2-10H,1H3,(H2,23,25,26,27,31)
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Similars

Article
PubMed
1.72n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells after 3 hrs


Bioorg Med Chem 19: 6120-34 (2011)


Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG
More data for this
Ligand-Target Pair