Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50256090'   

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))	BDBM50256090 (2-(furan-2-yl)-7-(3-(4-methoxyphenyl)propyl)-[1,2,...) Show SMILES COc1ccc(CCCc2cc3nc(nn3c(N)n2)-c2ccco2)cc1 Show InChI InChI=1S/C19H19N5O2/c1-25-15-9-7-13(8-10-15)4-2-5-14-12-17-22-18(16-6-3-11-26-16)23-24(17)19(20)21-14/h3,6-12H,2,4-5H2,1H3,(H2,20,21)	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	11.5	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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