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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 = 'BDBM50221686'   
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))		BDBM50221686
PNG
(9-(2-(4-chlorophenoxy)ethyl)-1,3-dimethyl-6,7,8,9-...)
Show SMILES Cn1c2nc3N(CCOc4ccc(Cl)cc4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C18H20ClN5O3/c1-21-15-14(16(25)22(2)18(21)26)24-9-3-8-23(17(24)20-15)10-11-27-13-6-4-12(19)5-7-13/h4-7H,3,8-11H2,1-2H3
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Similars
Article
PubMed
 2.50E+4n/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