Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50252165'   

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))	BDBM50252165 (2-Furan-2-yl-7-(2-{2-[1-(2-methoxy-ethoxy)-ethyl]-...) Show SMILES COCCOC(C)c1ccc2cc(CCn3ncc4c3nc(N)n3nc(nc43)-c3ccco3)ccc2n1 Show InChI InChI=1S/C26H26N8O3/c1-16(36-13-12-35-2)20-8-6-18-14-17(5-7-21(18)29-20)9-10-33-24-19(15-28-33)25-30-23(22-4-3-11-37-22)32-34(25)26(27)31-24/h3-8,11,14-16H,9-10,12-13H2,1-2H3,(H2,27,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A2A receptor				Bioorg Med Chem Lett 18: 4199-203 (2008) Article DOI: 10.1016/j.bmcl.2008.05.074 BindingDB Entry DOI: 10.7270/Q2X34X89
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