Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50117222'   

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 A3 (Homo sapiens (Human))	BDBM50117222 (5-Butyl-8-(4-ethoxy-phenyl)-3H-[1,2,4]triazolo[5,1...) Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(OCC)cc1 Show InChI InChI=1S/C18H20N6O/c1-3-5-6-14-21-17-15(19-11-20-17)18-22-16(23-24(14)18)12-7-9-13(10-8-12)25-4-2/h7-11H,3-6H2,1-2H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nutrition Research Institute Curated by ChEMBL					Assay Description Inhibition of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in HEK cells; Range 0.58-1.40				J Med Chem 45: 3703-8 (2002) BindingDB Entry DOI: 10.7270/Q2154GCW
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50117222 (5-Butyl-8-(4-ethoxy-phenyl)-3H-[1,2,4]triazolo[5,1...) Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(OCC)cc1 Show InChI InChI=1S/C18H20N6O/c1-3-5-6-14-21-17-15(19-11-20-17)18-22-16(23-24(14)18)12-7-9-13(10-8-12)25-4-2/h7-11H,3-6H2,1-2H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.210	n/a	n/a	n/a	n/a	n/a	n/a
Nutrition Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in HEK-293 cells				J Med Chem 45: 3703-8 (2002) BindingDB Entry DOI: 10.7270/Q2154GCW
					More data for this Ligand-Target Pair