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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50074239'   
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 A2a


(Rattus norvegicus (rat))		BDBM50074239
PNG
(6-Ethyl-5-(2-hydroxy-ethylsulfanylcarbonyl)-2-phen...)
Show SMILES CCCOC(=O)c1c(CCC)c(C(=O)SCCO)c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C23H29NO4S/c1-4-10-17-19(23(27)29-15-13-25)18(6-3)24-21(16-11-8-7-9-12-16)20(17)22(26)28-14-5-2/h7-9,11-12,25H,4-6,10,13-15H2,1-3H3
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Article
PubMed
 5.59E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal membranes.

J Med Chem 42: 706-21 (1999)


Article DOI: 10.1021/jm980550w
BindingDB Entry DOI: 10.7270/Q2TQ60Q0
More data for this
Ligand-Target Pair