Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50163397'   

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))	BDBM50163397 (2-Furan-2-yl-5-[(1R,4R)-5-(5-methyl-isoxazol-3-ylm...) Show SMILES Cc1cc(CN2C[C@H]3C[C@@H]2CN3c2nc(N)n3nc(nc3n2)-c2ccco2)no1 Show InChI InChI=1S/C18H19N9O2/c1-10-5-11(24-29-10)7-25-8-13-6-12(25)9-26(13)17-21-16(19)27-18(22-17)20-15(23-27)14-3-2-4-28-14/h2-5,12-13H,6-9H2,1H3,(H2,19,20,21,22,23)/t12-,13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	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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