Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50149362'   

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))	BDBM50149362 (4-Amino-2-(4-ethoxy-phenyl)-2H-[1,2,4]triazolo[4,3...) Show SMILES CCOc1ccc(cc1)-n1nc2c(N)nc3ccccc3n2c1=O Show InChI InChI=1S/C17H15N5O2/c1-2-24-12-9-7-11(8-10-12)22-17(23)21-14-6-4-3-5-13(14)19-15(18)16(21)20-22/h3-10H,2H2,1H3,(H2,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]-CGS- 21680 from adenosine A2a receptor of bovine striatal membranes				J Med Chem 47: 3580-90 (2004) Article DOI: 10.1021/jm031136l BindingDB Entry DOI: 10.7270/Q2CV4JHH
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