Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50316847'   

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))	BDBM50316847 (2,5,6-Trimethyl-3-prop-2-yn-1-ylthieno[2,3-d]pyrim...) Show SMILES Cc1sc2nc(C)n(CC#C)c(=O)c2c1C Show InChI InChI=1S/C12H12N2OS/c1-5-6-14-9(4)13-11-10(12(14)15)7(2)8(3)16-11/h1H,6H2,2-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.79E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology Curated by ChEMBL					Assay Description Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane after 30 mins by scintillation counting				Eur J Med Chem 45: 1739-45 (2010) Article DOI: 10.1016/j.ejmech.2009.12.075 BindingDB Entry DOI: 10.7270/Q2N016NW
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