Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50256093'   

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))	BDBM50256093 (CHEMBL520286 | N7-(4-fluorophenethyl)-2-(furan-2-y...) Show SMILES CN(CCc1ccc(F)cc1)c1cc2nc(nn2c(N)n1)-c1ccco1 Show InChI InChI=1S/C18H17FN6O/c1-24(9-8-12-4-6-13(19)7-5-12)15-11-16-21-17(14-3-2-10-26-14)23-25(16)18(20)22-15/h2-7,10-11H,8-9H2,1H3,(H2,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]SCH58261 from human adenosine A2A receptor expressed in HEK293 cells				Bioorg Med Chem Lett 19: 967-71 (2009) Article DOI: 10.1016/j.bmcl.2008.11.075 BindingDB Entry DOI: 10.7270/Q2CC10KT
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