Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50243027'   

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))	BDBM50243027 (2-Furan-2-yl-7-{2-[8-(2-methoxy-ethoxy)-3,4-dihydr...) Show SMILES COCCOc1cccc2CCN(CCn3ncc4c3nc(N)n3nc(nc43)-c3ccco3)Cc12 Show InChI InChI=1S/C24H26N8O3/c1-33-12-13-35-19-5-2-4-16-7-8-30(15-18(16)19)9-10-31-22-17(14-26-31)23-27-21(20-6-3-11-34-20)29-32(23)24(25)28-22/h2-6,11,14H,7-10,12-13,15H2,1H3,(H2,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	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 Antagonist activity at human adenosine A2A receptor				Bioorg Med Chem Lett 18: 4204-9 (2008) Article DOI: 10.1016/j.bmcl.2008.05.069 BindingDB Entry DOI: 10.7270/Q2JS9Q7R
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