Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a/A2b' and Ligand = 'BDBM50021449'   

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))	BDBM50021449 (8-(2,4-Dihydroxy-phenyl)-1,3-dipropyl-3,7-dihydro-...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(O)cc1O Show InChI InChI=1S/C17H20N4O4/c1-3-7-20-15-13(16(24)21(8-4-2)17(20)25)18-14(19-15)11-6-5-10(22)9-12(11)23/h5-6,9,22-23H,3-4,7-8H2,1-2H3,(H,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against A2 adenosine receptors of the central nervous system				J Med Chem 29: 1520-4 (1986) BindingDB Entry DOI: 10.7270/Q25Q4V25
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Homo sapiens (Human))	BDBM50021449 (8-(2,4-Dihydroxy-phenyl)-1,3-dipropyl-3,7-dihydro-...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(O)cc1O Show InChI InChI=1S/C17H20N4O4/c1-3-7-20-15-13(16(24)21(8-4-2)17(20)25)18-14(19-15)11-6-5-10(22)9-12(11)23/h5-6,9,22-23H,3-4,7-8H2,1-2H3,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes, Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of 5'-(N-ethylcarbamoyl)adenosine-elicited stimulation of adenylate cyclase in human platelet membranes				J Med Chem 31: 613-7 (1988) BindingDB Entry DOI: 10.7270/Q2Q52RVX
					More data for this Ligand-Target Pair