Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50053942'   

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))	BDBM50053942 (2-(4-Mercapto-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin...) Show SMILES CCC(Sc1nc2n(ncc2c(=S)[nH]1)-c1ccccc1)C(N)=O Show InChI InChI=1S/C15H15N5OS2/c1-2-11(12(16)21)23-15-18-13-10(14(22)19-15)8-17-20(13)9-6-4-3-5-7-9/h3-8,11H,2H2,1H3,(H2,16,21)(H,18,19,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.75E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of [3H]-CGS-21,680 binding to Adenosine A2A receptor of rat striatal membranes				J Med Chem 39: 4156-61 (1996) Article DOI: 10.1021/jm960052s BindingDB Entry DOI: 10.7270/Q29Z9404
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