Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50173215'   

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 (Rattus norvegicus (rat))	BDBM50173215 (6-(3-Amino-phenyl)-2-furan-2-yl-[1,2,4]triazolo[1,...) Show SMILES Nc1cccc(c1)-c1cn2nc(nc2c(N)n1)-c1ccco1 Show InChI InChI=1S/C15H12N6O/c16-10-4-1-3-9(7-10)11-8-21-15(13(17)18-11)19-14(20-21)12-5-2-6-22-12/h1-8H,16H2,(H2,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Binding affinity towards adenosine A2a receptor of rat brain homogenates using [3H]-ZM-241,385 compared to SCH-58261 (Ki=37 nM)				Bioorg Med Chem Lett 15: 4809-13 (2005) Article DOI: 10.1016/j.bmcl.2005.07.052 BindingDB Entry DOI: 10.7270/Q24Q7TJV
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