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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 = 'BDBM50221704'   
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))		BDBM50221704
PNG
(9-(3,4-dimethoxyphenethyl)-1,3-dimethyl-6,7,8,9-te...)
Show SMILES COc1ccc(CCN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)cc1OC
Show InChI InChI=1S/C20H25N5O4/c1-22-17-16(18(26)23(2)20(22)27)25-10-5-9-24(19(25)21-17)11-8-13-6-7-14(28-3)15(12-13)29-4/h6-7,12H,5,8-11H2,1-4H3
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Similars
Article
PubMed
 1.21E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]MSX2 from adenosine A2A receptor in rat brain striatal membrane

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair