Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50165067'   

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))	BDBM50165067 (6-Furan-2-yl-9-naphthalen-1-ylmethyl-9H-purin-2-yl...) Show SMILES Nc1nc(-c2ccco2)c2ncn(Cc3cccc4ccccc34)c2n1 Show InChI InChI=1S/C20H15N5O/c21-20-23-17(16-9-4-10-26-16)18-19(24-20)25(12-22-18)11-14-7-3-6-13-5-1-2-8-15(13)14/h1-10,12H,11H2,(H2,21,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.60	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 Inhibition constant against human Adenosine A2a receptor using [3H]-SCH- 58261 as radioligand expressed in HEK cell membranes				Bioorg Med Chem Lett 15: 2119-22 (2005) Article DOI: 10.1016/j.bmcl.2005.02.031 BindingDB Entry DOI: 10.7270/Q2542N3H
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