Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50133363'   

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))	BDBM50133363 (CHEMBL541455 | N-(2-(furan-2-yl)-8-phenethyl-8H-py...) Show SMILES O=C(Cc1ccccc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C26H21N7O2/c34-22(16-19-10-5-2-6-11-19)27-26-29-23-20(17-32(30-23)14-13-18-8-3-1-4-9-18)25-28-24(31-33(25)26)21-12-7-15-35-21/h1-12,15,17H,13-14,16H2,(H,27,29,30,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Padova Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 17: 5259-74 (2009) Checked by Author Article DOI: 10.1016/j.bmc.2009.05.038 BindingDB Entry DOI: 10.7270/Q23N23FX
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50133363 (CHEMBL541455 | N-(2-(furan-2-yl)-8-phenethyl-8H-py...) Show SMILES O=C(Cc1ccccc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C26H21N7O2/c34-22(16-19-10-5-2-6-11-19)27-26-29-23-20(17-32(30-23)14-13-18-8-3-1-4-9-18)25-28-24(31-33(25)26)21-12-7-15-35-21/h1-12,15,17H,13-14,16H2,(H,27,29,30,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	45	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))	BDBM50133363 (CHEMBL541455 | N-(2-(furan-2-yl)-8-phenethyl-8H-py...) Show SMILES O=C(Cc1ccccc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C26H21N7O2/c34-22(16-19-10-5-2-6-11-19)27-26-29-23-20(17-32(30-23)14-13-18-8-3-1-4-9-18)25-28-24(31-33(25)26)21-12-7-15-35-21/h1-12,15,17H,13-14,16H2,(H,27,29,30,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]-MRE3008-F20 from human A3 receptors expressed in HEK-293 cells				J Med Chem 46: 4287-96 (2003) Article DOI: 10.1021/jm030852k BindingDB Entry DOI: 10.7270/Q2348JRF
					More data for this Ligand-Target Pair