Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50329358'   

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))	BDBM50329358 (3-cyano-N-(6-(piperidine-1-carbonyl)-3-(pyridin-3-...) Show SMILES O=C(Nc1nc2cc(cnc2n1Cc1cccnc1)C(=O)N1CCCCC1)c1cccc(c1)C#N Show InChI InChI=1S/C26H23N7O2/c27-14-18-6-4-8-20(12-18)24(34)31-26-30-22-13-21(25(35)32-10-2-1-3-11-32)16-29-23(22)33(26)17-19-7-5-9-28-15-19/h4-9,12-13,15-16H,1-3,10-11,17H2,(H,30,31,34)	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	233	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
					More data for this Ligand-Target Pair