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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2b' and Ligand = 'BDBM50166742'   
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 A2b


(Homo sapiens (Human))
BDBM50166742
PNG
(3-[2-(3-Methyl-pyridin-2-ylamino)-5-[1,2,4]triazol...)
Show SMILES Cc1cccc(Nc2nc(c(s2)-n2cncn2)-c2cccc(c2)C#N)n1
Show InChI InChI=1S/C18H13N7S/c1-12-4-2-7-15(22-12)23-18-24-16(14-6-3-5-13(8-14)9-19)17(26-18)25-11-20-10-21-25/h2-8,10-11H,1H3,(H,22,23,24)
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Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
20n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of luciferase production elicited by NECA by compound in CHO cells transfected with human adenosine A2b receptor and a luciferase expressi...


Bioorg Med Chem Lett 15: 3081-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.021
BindingDB Entry DOI: 10.7270/Q2X63NQG
More data for this
Ligand-Target Pair