Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50149363'   

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))	BDBM50149363 (4,6-Diamino-2-(4-hydroxy-phenyl)-2H-[1,2,4]triazol...) Show SMILES Nc1nc2c(N)cccc2n2c1nn(-c1ccc(O)cc1)c2=O Show InChI InChI=1S/C15H12N6O2/c16-10-2-1-3-11-12(10)18-13(17)14-19-21(15(23)20(11)14)8-4-6-9(22)7-5-8/h1-7,22H,16H2,(H2,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	181	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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