Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50294524'   

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))	BDBM50294524 (2-amino-6-(furan-2-yl)-N-((6-(hydroxymethyl)pyridi...) Show SMILES Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1cccc(CO)n1 Show InChI InChI=1S/C16H15N5O3/c17-16-20-12(14-5-2-6-24-14)7-13(21-16)15(23)18-8-10-3-1-4-11(9-22)19-10/h1-7,22H,8-9H2,(H,18,23)(H2,17,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	260	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 Displacement of [3H]CGS21680 from human adenosine A1 receptor				Bioorg Med Chem Lett 19: 2664-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.142 BindingDB Entry DOI: 10.7270/Q2RF5V1M
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