Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50139781'   

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))	BDBM50139781 (CHEMBL3764697) Show SMILES Cc1ccccc1CNC(=O)c1nc(N)nc2c(F)cccc12 Show InChI InChI=1S/C17H15FN4O/c1-10-5-2-3-6-11(10)9-20-16(23)15-12-7-4-8-13(18)14(12)21-17(19)22-15/h2-8H,9H2,1H3,(H,20,23)(H2,19,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]SCH-58261 from human adenosine A2A receptor expressed in HEK cell membranes after 60 mins by microplate scintillation counting an...				Bioorg Med Chem Lett 26: 1348-54 (2016) Article DOI: 10.1016/j.bmcl.2015.11.048 BindingDB Entry DOI: 10.7270/Q2S46TT3
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