Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50316846'   

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 (Rattus norvegicus (rat))	BDBM50316846 (2-(4-Fluorobenzyl)-3-prop-2-yn-1-yl-5,6,7,8-tetrah...) Show SMILES Fc1ccc(Cc2nc3sc4CCCCc4c3c(=O)n2CC#C)cc1 Show InChI InChI=1S/C20H17FN2OS/c1-2-11-23-17(12-13-7-9-14(21)10-8-13)22-19-18(20(23)24)15-5-3-4-6-16(15)25-19/h1,7-10H,3-6,11-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology Curated by ChEMBL					Assay Description Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane after 30 mins by scintillation counting				Eur J Med Chem 45: 1739-45 (2010) Article DOI: 10.1016/j.ejmech.2009.12.075 BindingDB Entry DOI: 10.7270/Q2N016NW
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