Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50329354'   

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))	BDBM50329354 (CHEMBL1271120 | N-(3-(2-acetamidoethyl)-6-(piperid...) Show SMILES CC(=O)NCCn1c(NC(=O)c2cccc(c2)C#N)nc2cc(cnc12)C(=O)N1CCCCC1 Show InChI InChI=1S/C24H25N7O3/c1-16(32)26-8-11-31-21-20(13-19(15-27-21)23(34)30-9-3-2-4-10-30)28-24(31)29-22(33)18-7-5-6-17(12-18)14-25/h5-7,12-13,15H,2-4,8-11H2,1H3,(H,26,32)(H,28,29,33)	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	37	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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