Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50254349'   

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))	BDBM50254349 (3-(5-Amino-7-(2-furyl)-3H-[1,2,3]triazolo[4,5-d]py...) Show SMILES CC(C)NC(=O)c1cccc(Cn2nnc3c(nc(N)nc23)-c2ccco2)c1 Show InChI InChI=1S/C19H19N7O2/c1-11(2)21-18(27)13-6-3-5-12(9-13)10-26-17-16(24-25-26)15(22-19(20)23-17)14-7-4-8-28-14/h3-9,11H,10H2,1-2H3,(H,21,27)(H2,20,22,23)	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	10.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis R&D Ltd Curated by ChEMBL					Assay Description Displacement of radioligand from human recombinant adenosine A2A receptor at 21 degC after 90 mins by cell-based microplate scintillation counting				J Med Chem 52: 33-47 (2009) Article DOI: 10.1021/jm800961g BindingDB Entry DOI: 10.7270/Q2XG9R0B
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