Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50110978'   

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))	BDBM50110978 (8-(4-Bromo-phenyl)-1-prop-2-ynyl-3,7-dihydro-purin...) Show SMILES Brc1ccc(cc1)-c1nc2[nH]c(=O)n(CC#C)c(=O)c2[nH]1 Show InChI InChI=1S/C14H9BrN4O2/c1-2-7-19-13(20)10-12(18-14(19)21)17-11(16-10)8-3-5-9(15)6-4-8/h1,3-6H,7H2,(H,16,17)(H,18,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	199	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of [3H]-MSX-2 binding to rat adenosine A2A receptor				J Med Chem 45: 1500-10 (2002) BindingDB Entry DOI: 10.7270/Q2X929MN
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