Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50257074'   

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))	BDBM50257074 (CHEMBL474016 | N-(2-(4-methoxyphenyl)-1-oxo-1,2-di...) Show SMILES COc1ccc(cc1)-n1nc2c(NC(=O)c3ccccc3)nc3ncccc3n2c1=O Show InChI InChI=1S/C22H16N6O3/c1-31-16-11-9-15(10-12-16)28-22(30)27-17-8-5-13-23-18(17)24-19(20(27)26-28)25-21(29)14-6-3-2-4-7-14/h2-13H,1H3,(H,23,24,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	4.54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Firenze Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human cloned adenosine A3 receptor expressed in CHO cells				J Med Chem 52: 2407-19 (2009) Article DOI: 10.1021/jm8014876 BindingDB Entry DOI: 10.7270/Q2X63MVV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50257074 (CHEMBL474016 | N-(2-(4-methoxyphenyl)-1-oxo-1,2-di...) Show SMILES COc1ccc(cc1)-n1nc2c(NC(=O)c3ccccc3)nc3ncccc3n2c1=O Show InChI InChI=1S/C22H16N6O3/c1-31-16-11-9-15(10-12-16)28-22(30)27-17-8-5-13-23-18(17)24-19(20(27)26-28)25-21(29)14-6-3-2-4-7-14/h2-13H,1H3,(H,23,24,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	4.54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A3 receptor				Bioorg Med Chem Lett 21: 2898-905 (2011) Article DOI: 10.1016/j.bmcl.2011.03.073 BindingDB Entry DOI: 10.7270/Q2VH5P5Z
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50257074 (CHEMBL474016 | N-(2-(4-methoxyphenyl)-1-oxo-1,2-di...) Show SMILES COc1ccc(cc1)-n1nc2c(NC(=O)c3ccccc3)nc3ncccc3n2c1=O Show InChI InChI=1S/C22H16N6O3/c1-31-16-11-9-15(10-12-16)28-22(30)27-17-8-5-13-23-18(17)24-19(20(27)26-28)25-21(29)14-6-3-2-4-7-14/h2-13H,1H3,(H,23,24,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	36.3	n/a	n/a	n/a	n/a
Universita di Firenze Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A3 receptor expressed in CHO cells assessed as blockade of NECA-mediated inhibition of forskolin-stimulated cA...				J Med Chem 52: 2407-19 (2009) Article DOI: 10.1021/jm8014876 BindingDB Entry DOI: 10.7270/Q2X63MVV
					More data for this Ligand-Target Pair