Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50266022'   

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))	BDBM50266022 ((2-(2-(benzo[d][1,3]dioxol-5-yl)ethylamino)-4-(fur...) Show SMILES O=C(c1sc(NCCc2ccc3OCOc3c2)nc1-c1ccco1)c1ccccc1 Show InChI InChI=1S/C23H18N2O4S/c26-21(16-5-2-1-3-6-16)22-20(18-7-4-12-27-18)25-23(30-22)24-11-10-15-8-9-17-19(13-15)29-14-28-17/h1-9,12-13H,10-11,14H2,(H,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	61	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: 378-81 (2008) Article DOI: 10.1016/j.bmcl.2008.11.066 BindingDB Entry DOI: 10.7270/Q2348K6P
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