Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50133365'   

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))	BDBM50133365 (CHEMBL138593 | N-[2-Furan-2-yl-8-(3-phenyl-propyl)...) Show SMILES O=C(COc1ccccc1)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C27H23N7O3/c35-23(18-37-20-12-5-2-6-13-20)28-27-30-24-21(26-29-25(32-34(26)27)22-14-8-16-36-22)17-33(31-24)15-7-11-19-9-3-1-4-10-19/h1-6,8-10,12-14,16-17H,7,11,15,18H2,(H,28,30,31,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	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))	BDBM50133365 (CHEMBL138593 | N-[2-Furan-2-yl-8-(3-phenyl-propyl)...) Show SMILES O=C(COc1ccccc1)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C27H23N7O3/c35-23(18-37-20-12-5-2-6-13-20)28-27-30-24-21(26-29-25(32-34(26)27)22-14-8-16-36-22)17-33(31-24)15-7-11-19-9-3-1-4-10-19/h1-6,8-10,12-14,16-17H,7,11,15,18H2,(H,28,30,31,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	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