Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50040358'   

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 (Rattus norvegicus (rat))	BDBM50040358 (5-(3-Cyclopentyloxy-4-methoxy-phenyl)-pyrrolidin-2...) Show SMILES COc1ccc(cc1OC1CCCC1)C1CCC(=O)N1 Show InChI InChI=1S/C16H21NO3/c1-19-14-8-6-11(13-7-9-16(18)17-13)10-15(14)20-12-4-2-3-5-12/h6,8,10,12-13H,2-5,7,9H2,1H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of adenosine binding to A1 receptorof rat brain homogenates				J Med Chem 37: 476-85 (1994) BindingDB Entry DOI: 10.7270/Q2P26X6N
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