Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50248264'   

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))	BDBM50248264 (2-(cyclopropylamino)-7-(2-methoxybenzyl)-9-phenyl-...) Show SMILES COc1ccccc1Cn1c2cnc(NC3CC3)nc2n(-c2ccccc2)c1=O Show InChI InChI=1S/C22H21N5O2/c1-29-19-10-6-5-7-15(19)14-26-18-13-23-21(24-16-11-12-16)25-20(18)27(22(26)28)17-8-3-2-4-9-17/h2-10,13,16H,11-12,14H2,1H3,(H,23,24,25)	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	409	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]SCH-58261 from human recombinant adenosine A2A receptor expressed in HEK293 cells				Bioorg Med Chem Lett 19: 1399-402 (2009) Article DOI: 10.1016/j.bmcl.2009.01.042 BindingDB Entry DOI: 10.7270/Q26973F9
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