Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50451378'   

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))	BDBM50451378 (CHEMBL39106) Show SMILES I.CC(=O)Oc1ccc2-c3nc(N)sc3CCc2c1 Show InChI InChI=1S/C13H12N2O2S.HI/c1-7(16)17-9-3-4-10-8(6-9)2-5-11-12(10)15-13(14)18-11;/h3-4,6H,2,5H2,1H3,(H2,14,15);1H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	0	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description AE maximal score at Adenosine A2A receptor				Bioorg Med Chem Lett 12: 1563-6 (2002) BindingDB Entry DOI: 10.7270/Q2833RBV
					More data for this Ligand-Target Pair