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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with all data for assayid = 34 entry = 50011696   
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))		BDBM50109484
PNG
(1-(benzo[d][1,3]dioxol-5-yl)-3-(8-butyl-2-(furan-2...)
Show SMILES CCCCn1cc2c(n1)nc(NC(=O)Nc1ccc3OCOc3c1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C22H20N8O4/c1-2-3-8-29-11-14-18(27-29)25-21(30-20(14)24-19(28-30)16-5-4-9-32-16)26-22(31)23-13-6-7-15-17(10-13)34-12-33-15/h4-7,9-11H,2-3,8,12H2,1H3,(H2,23,25,26,27,31)
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Similars
PubMed
 0.5n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRE3008-F20 from human Adenosine A3 receptor expressed in HEK cells; range 0.40-0.62

J Med Chem 45: 770-80 (2002)


BindingDB Entry DOI: 10.7270/Q27W6BHW
More data for this
Ligand-Target Pair