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SMILES: COc1ccc(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)cc1F

InChI Key: InChIKey=ZQGVNCZTGPFGSM-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50372566   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50372566
PNG
(CHEMBL270880)
Show SMILES COc1ccc(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)cc1F
Show InChI InChI=1S/C23H22FN5O3/c1-13-9-14(2)29(28-13)21-12-20(26-23(27-21)19-7-5-15(3)32-19)25-22(30)11-16-6-8-18(31-4)17(24)10-16/h5-10,12H,11H2,1-4H3,(H,25,26,27,30)
PDB
MMDB

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Similars
Article
PubMed
 3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells

Bioorg Med Chem Lett 18: 1269-73 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.036
BindingDB Entry DOI: 10.7270/Q2K35VGF
More data for this
Ligand-Target Pair