Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50324984'   

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))	BDBM50324984 (3-Methyl-N-[5-(3-methyl-[1,2,4]oxadiazol-5-yl)-4-p...) Show SMILES CC(C)CC(=O)Nc1nc(c(s1)-c1nc(C)no1)-c1ccccc1 Show InChI InChI=1S/C17H18N4O2S/c1-10(2)9-13(22)19-17-20-14(12-7-5-4-6-8-12)15(24-17)16-18-11(3)21-23-16/h4-8,10H,9H2,1-3H3,(H,19,20,22)	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	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in buculovirus system by liquid scintillation counting				Bioorg Med Chem Lett 20: 5241-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.138 BindingDB Entry DOI: 10.7270/Q2BP02Z0
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