Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50377559'   

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 A1 (Homo sapiens (Human))	BDBM50377559 (CHEMBL259832) Show SMILES Nc1nc(-c2ccco2)c2ncn(C(=O)NCc3ccco3)c2n1 Show InChI InChI=1S/C15H12N6O3/c16-14-19-11(10-4-2-6-24-10)12-13(20-14)21(8-18-12)15(22)17-7-9-3-1-5-23-9/h1-6,8H,7H2,(H,17,22)(H2,16,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Binding affinity at human adenosine A1 receptor				Bioorg Med Chem Lett 18: 2924-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.072 BindingDB Entry DOI: 10.7270/Q23779KZ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50377559 (CHEMBL259832) Show SMILES Nc1nc(-c2ccco2)c2ncn(C(=O)NCc3ccco3)c2n1 Show InChI InChI=1S/C15H12N6O3/c16-14-19-11(10-4-2-6-24-10)12-13(20-14)21(8-18-12)15(22)17-7-9-3-1-5-23-9/h1-6,8H,7H2,(H,17,22)(H2,16,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant adenosine A1 receptor				J Med Chem 57: 3623-50 (2014) Article DOI: 10.1021/jm4011669 BindingDB Entry DOI: 10.7270/Q28P621J
					More data for this Ligand-Target Pair