Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50052379'   

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))	BDBM50052379 (4-(4-Hydroxy-3-methoxy-phenyl)-2,6-dimethyl-1,4-di...) Show SMILES CCOC(=O)C1=C(C)N=C(C)C(C1c1ccc(O)c(OC)c1)C(=O)OC |c:5,t:8| Show InChI InChI=1S/C19H23NO6/c1-6-26-19(23)16-11(3)20-10(2)15(18(22)25-5)17(16)12-7-8-13(21)14(9-12)24-4/h7-9,15,17,21H,6H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Displacement of [3H](R)-PIA binding to Adenosine A1 receptor in rat brain membranes				J Med Chem 39: 2980-9 (1996) Article DOI: 10.1021/jm9600205 BindingDB Entry DOI: 10.7270/Q2833SQ6
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