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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 = 'BDBM50545313'   
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))		BDBM50545313
PNG
(CHEMBL4644153)
Show SMILES Nc1nc(nc2sc(nc12)-c1ccco1)N1CCN(CC1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H19N7O3S2/c20-16-15-18(30-17(22-15)14-2-1-11-29-14)24-19(23-16)26-9-7-25(8-10-26)12-3-5-13(6-4-12)31(21,27)28/h1-6,11H,7-10H2,(H2,20,23,24)(H2,21,27,28)
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Article
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 582n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]AB-MEGA from human A3R expressed in CHO cells by competitive binding assay

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127067
BindingDB Entry DOI: 10.7270/Q26M3BFS
More data for this
Ligand-Target Pair