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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 = 'BDBM50453667'   
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)		BDBM50453667
PNG
(CHEMBL2113687)
Show SMILES CSc1nc(NCc2cccc(I)c2)c2ncn(C)c2n1
Show InChI InChI=1S/C14H14IN5S/c1-20-8-17-11-12(18-14(21-2)19-13(11)20)16-7-9-4-3-5-10(15)6-9/h3-6,8H,7H2,1-2H3,(H,16,18,19)
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PC cid
PC sid
UniChem

Similars
PubMed
 299n/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