Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50329339'   

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))	BDBM50329339 (CHEMBL1270316 | N-butyl-2-(3-cyanobenzamido)-1-(3-...) Show SMILES CCCCNC(=O)c1ccc2n(CCCOC)c(NC(=O)c3cccc(c3)C#N)nc2c1 Show InChI InChI=1S/C24H27N5O3/c1-3-4-11-26-22(30)19-9-10-21-20(15-19)27-24(29(21)12-6-13-32-2)28-23(31)18-8-5-7-17(14-18)16-25/h5,7-10,14-15H,3-4,6,11-13H2,1-2H3,(H,26,30)(H,27,28,31)	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	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]SCH58261 from human recombinant A2A receptor expressed in HEK293 cells				Bioorg Med Chem Lett 20: 6845-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.064 BindingDB Entry DOI: 10.7270/Q2NS0V4K
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