Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50163435'   

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 (Rattus norvegicus (rat))	BDBM50163435 (2-Furan-2-yl-N*5*-methyl-N*5*-{2-[methyl-(5-methyl...) Show SMILES CN(CCN(C)c1nc(N)n2nc(nc2n1)-c1ccco1)Cc1cc(C)on1 Show InChI InChI=1S/C17H21N9O2/c1-11-9-12(23-28-11)10-24(2)6-7-25(3)16-20-15(18)26-17(21-16)19-14(22-26)13-5-4-8-27-13/h4-5,8-9H,6-7,10H2,1-3H3,(H2,18,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue				J Med Chem 48: 2009-18 (2005) Article DOI: 10.1021/jm0498396 BindingDB Entry DOI: 10.7270/Q2NZ88FB
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