Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50343135'   

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))	BDBM50343135 (CHEMBL1770311 | N-(2-(4-chlorophenyl)-8-phenethyl-...) Show SMILES Clc1ccc(cc1)-c1nc2c3cn(CCc4ccccc4)nc3nc(NC(=O)Cc3ccccc3)n2n1 Show InChI InChI=1S/C28H22ClN7O/c29-22-13-11-21(12-14-22)25-31-27-23-18-35(16-15-19-7-3-1-4-8-19)33-26(23)32-28(36(27)34-25)30-24(37)17-20-9-5-2-6-10-20/h1-14,18H,15-17H2,(H,30,32,33,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.48	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 Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells after 3 hrs				Bioorg Med Chem 19: 6120-34 (2011) Article DOI: 10.1016/j.bmc.2011.08.026 BindingDB Entry DOI: 10.7270/Q2GX4BZG
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50343135 (CHEMBL1770311 | N-(2-(4-chlorophenyl)-8-phenethyl-...) Show SMILES Clc1ccc(cc1)-c1nc2c3cn(CCc4ccccc4)nc3nc(NC(=O)Cc3ccccc3)n2n1 Show InChI InChI=1S/C28H22ClN7O/c29-22-13-11-21(12-14-22)25-31-27-23-18-35(16-15-19-7-3-1-4-8-19)33-26(23)32-28(36(27)34-25)30-24(37)17-20-9-5-2-6-10-20/h1-14,18H,15-17H2,(H,30,32,33,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.48	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