Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50237079'   

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))	BDBM50237079 (2-(3-cyanophenoxy)-N-(2-(5-methylfuran-2-yl)-6-(th...) Show SMILES Cc1ccc(o1)-c1nc(NC(=O)COc2cccc(c2)C#N)cc(n1)-c1nccs1 Show InChI InChI=1S/C21H15N5O3S/c1-13-5-6-17(29-13)20-24-16(21-23-7-8-30-21)10-18(26-20)25-19(27)12-28-15-4-2-3-14(9-15)11-22/h2-10H,12H2,1H3,(H,24,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in HEK293 cells				Bioorg Med Chem Lett 18: 1778-83 (2008) Article DOI: 10.1016/j.bmcl.2008.02.032 BindingDB Entry DOI: 10.7270/Q2VD6Z62
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