Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50315540'   

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))	BDBM50315540 (8-(2-Thioxo-7(3-butyl)-2-(2-furyl),thiazolo,[4,3-e...) Show SMILES CCCCn1c2ncn3nc(nc3c2sc1=S)-c1ccco1 Show InChI InChI=1S/C14H13N5OS2/c1-2-3-6-18-12-10(22-14(18)21)13-16-11(9-5-4-7-20-9)17-19(13)8-15-12/h4-5,7-8H,2-3,6H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 60 mins by rapid filtration assay				Bioorg Med Chem 18: 2491-500 (2010) Article DOI: 10.1016/j.bmc.2010.02.048 BindingDB Entry DOI: 10.7270/Q27W6D57
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