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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 = 'BDBM50221684'   
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))		BDBM50221684
PNG
(CHEMBL239444 | N-(4-(2-(1,3-dimethyl-2,4-dioxo-1,2...)
Show SMILES CC(=O)Nc1ccc(OCCN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)cc1
Show InChI InChI=1S/C20H24N6O4/c1-13(27)21-14-5-7-15(8-6-14)30-12-11-25-9-4-10-26-16-17(22-19(25)26)23(2)20(29)24(3)18(16)28/h5-8H,4,9-12H2,1-3H3,(H,21,27)
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Similars
Article
PubMed
 2.02E+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