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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 = 'BDBM50221688'   
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))		BDBM50221688
PNG
(2-(1,3-dimethyl-2,4-dioxo-1,2,3,4,7,8-hexahydropyr...)
Show SMILES Cn1c2nc3N(CCOC(=O)Nc4cccc(Cl)c4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C19H21ClN6O4/c1-23-15-14(16(27)24(2)19(23)29)26-8-4-7-25(17(26)22-15)9-10-30-18(28)21-13-6-3-5-12(20)11-13/h3,5-6,11H,4,7-10H2,1-2H3,(H,21,28)
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Similars
Article
PubMed
>1.00E+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