Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50117238'   

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))	BDBM50117238 (5-Butyl-8-(4-chloro-phenyl)-3H-[1,2,4]triazolo[5,1...) Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C16H15ClN6/c1-2-3-4-12-20-15-13(18-9-19-15)16-21-14(22-23(12)16)10-5-7-11(17)8-6-10/h5-9H,2-4H2,1H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.410	n/a	n/a	n/a	n/a	n/a	n/a
Otsuka Pharmaceutical Factory, Inc. Curated by ChEMBL					Assay Description Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK-293 cells				Bioorg Med Chem Lett 14: 3775-9 (2004) Article DOI: 10.1016/j.bmcl.2004.04.099 BindingDB Entry DOI: 10.7270/Q21R6PZM
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50117238 (5-Butyl-8-(4-chloro-phenyl)-3H-[1,2,4]triazolo[5,1...) Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C16H15ClN6/c1-2-3-4-12-20-15-13(18-9-19-15)16-21-14(22-23(12)16)10-5-7-11(17)8-6-10/h5-9H,2-4H2,1H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.410	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