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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 = 'BDBM50453669'   
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


(Rattus norvegicus)		BDBM50453669
PNG
(CHEMBL2113699)
Show SMILES CNC(=O)[C@@H]1C[C@@H](OC(C)=O)[C@@H](O1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r|
Show InChI InChI=1S/C20H20ClIN6O4/c1-10(29)31-14-7-13(18(30)23-2)32-19(14)28-9-25-15-16(26-20(21)27-17(15)28)24-8-11-4-3-5-12(22)6-11/h3-6,9,13-14,19H,7-8H2,1-2H3,(H,23,30)(H,24,26,27)/t13-,14+,19+/m0/s1
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PC sid
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Similars
PubMed
 63n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A3 receptor from rat brain.

J Med Chem 38: 1720-35 (1995)


BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair