Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50420983'   

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))	BDBM50420983 (CHEMBL2088306) Show SMILES Cn1c(COc2ccc(Cl)cc2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C15H15ClN4O3/c1-18-11(8-23-10-6-4-9(16)5-7-10)17-13-12(18)14(21)20(3)15(22)19(13)2/h4-7H,8H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	940	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University Curated by ChEMBL					Assay Description Displacement of [3H]NECA from adenosine receptor A2A in Sprague-Dawley rat striatal membranes after 60 mins by liquid scintillation counting				Bioorg Med Chem Lett 26: 5951-5955 (2016) Article DOI: 10.1016/j.bmcl.2016.10.086 BindingDB Entry DOI: 10.7270/Q2TB18WV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50420983 (CHEMBL2088306) Show SMILES Cn1c(COc2ccc(Cl)cc2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C15H15ClN4O3/c1-18-11(8-23-10-6-4-9(16)5-7-10)17-13-12(18)14(21)20(3)15(22)19(13)2/h4-7H,8H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.33E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre of Excellence for Pharmaceutical Sciences, School of Pharmacy, North-West University, Private Bag X6001, Potchefstroom, 2520, South Africa. Electronic address: dalenevanderwalt@gmail.com. Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from adenosine receptor A2a in rat brain striatal membrane				Eur J Med Chem 125: 652-656 (2017) Article DOI: 10.1016/j.ejmech.2016.09.072 BindingDB Entry DOI: 10.7270/Q2QV3PZQ
					More data for this Ligand-Target Pair