Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50324987'   

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))	BDBM50324987 (CHEMBL1221505 | Furan-2-carboxylic acid[5-(2-ethyl...) Show SMILES CCn1nnc(n1)-c1sc(NC(=O)c2ccco2)nc1-c1ccccc1 Show InChI InChI=1S/C17H14N6O2S/c1-2-23-21-15(20-22-23)14-13(11-7-4-3-5-8-11)18-17(26-14)19-16(24)12-9-6-10-25-12/h3-10H,2H2,1H3,(H,18,19,24)	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	94	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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