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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 = 'BDBM50453678'   
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)		BDBM50453678
PNG
(CHEMBL2113705)
Show SMILES OC(=O)Cn1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C14H12IN5O2/c15-10-3-1-2-9(4-10)5-16-13-12-14(18-7-17-13)20(8-19-12)6-11(21)22/h1-4,7-8H,5-6H2,(H,21,22)(H,16,17,18)
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PC cid
PC sid
UniChem

Similars
PubMed
 2.25E+5n/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