Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50313077'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50313077 (5-(furan-2-yl)-1-methyl-6-(pyrimidin-4-yl)-1H-imid...) Show SMILES Cn1c2cc(-c3ccncn3)c(nc2[nH]c1=O)-c1ccco1 Show InChI InChI=1S/C15H11N5O2/c1-20-11-7-9(10-4-5-16-8-17-10)13(12-3-2-6-22-12)18-14(11)19-15(20)21/h2-8H,1H3,(H,18,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.13E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in human HeLa cells after 1 hr by scintillation proximity assay				Bioorg Med Chem Lett 20: 1634-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.077 BindingDB Entry DOI: 10.7270/Q2GB2452
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