Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50120768'   

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))	BDBM50120768 (1-(7-Isopropyl-2-phenyl-imidazo[1,2-a][1,3,5]triaz...) Show SMILES CC(C)c1cn2c(NCC(C)=O)nc(nc2n1)-c1ccccc1 Show InChI InChI=1S/C17H19N5O/c1-11(2)14-10-22-16(18-9-12(3)23)20-15(21-17(22)19-14)13-7-5-4-6-8-13/h4-8,10-11H,9H2,1-3H3,(H,18,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]- CGS-21,680 from Adenosine A2a receptor in bovine striatal membranes.				J Med Chem 45: 5030-6 (2002) BindingDB Entry DOI: 10.7270/Q2JH3KHN
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