Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50254006'   

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))	BDBM50254006 (3-(4-Cyanobenzyl)-7-(2-furyl)-3H-[1,2,3]triazolo[4...) Show SMILES Nc1nc(-c2ccco2)c2nnn(Cc3ccc(cc3)C#N)c2n1 Show InChI InChI=1S/C16H11N7O/c17-8-10-3-5-11(6-4-10)9-23-15-14(21-22-23)13(19-16(18)20-15)12-2-1-7-24-12/h1-7H,9H2,(H2,18,19,20)	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	73	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Antagonist activity against human adenosine A2A receptor				Eur J Med Chem 45: 3459-71 (2010) Article DOI: 10.1016/j.ejmech.2010.04.039 BindingDB Entry DOI: 10.7270/Q2K074GG
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50254006 (3-(4-Cyanobenzyl)-7-(2-furyl)-3H-[1,2,3]triazolo[4...) Show SMILES Nc1nc(-c2ccco2)c2nnn(Cc3ccc(cc3)C#N)c2n1 Show InChI InChI=1S/C16H11N7O/c17-8-10-3-5-11(6-4-10)9-23-15-14(21-22-23)13(19-16(18)20-15)12-2-1-7-24-12/h1-7H,9H2,(H2,18,19,20)	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	73	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis R&D Ltd Curated by ChEMBL					Assay Description Displacement of radioligand from human recombinant adenosine A2A receptor at 21 degC after 90 mins by cell-based microplate scintillation counting				J Med Chem 52: 33-47 (2009) Article DOI: 10.1021/jm800961g BindingDB Entry DOI: 10.7270/Q2XG9R0B
					More data for this Ligand-Target Pair