Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a/A2b' and Ligand = 'BDBM50011834'   

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/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50011834 (3-Methyl-8-phenyl-1-propyl-3,7-dihydro-purine-2,6-...) Show SMILES CCCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1ccccc1 Show InChI InChI=1S/C15H16N4O2/c1-3-9-19-14(20)11-13(18(2)15(19)21)17-12(16-11)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3,(H,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	553	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nova Pharmaceutical Corporation Curated by ChEMBL					Assay Description Binding affinity against adenosine A2 receptor in rat striatum by the displacement of [3H]N-ethyladenosine-5''-uronamide(NECA).				J Med Chem 34: 1431-5 (1991) BindingDB Entry DOI: 10.7270/Q2G73CP1
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50011834 (3-Methyl-8-phenyl-1-propyl-3,7-dihydro-purine-2,6-...) Show SMILES CCCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1ccccc1 Show InChI InChI=1S/C15H16N4O2/c1-3-9-19-14(20)11-13(18(2)15(19)21)17-12(16-11)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3,(H,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	553	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Affinity towards adenosine A2 receptor				Bioorg Med Chem Lett 2: 1199-1200 (1992) Article DOI: 10.1016/S0960-894X(00)80213-9 BindingDB Entry DOI: 10.7270/Q2NS0TT4
					More data for this Ligand-Target Pair