Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50139878'   

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))	BDBM50139878 (4-(1-Methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-...) Show SMILES Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)Oc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C18H13N5O7S/c1-22-17(24)14-16(21-18(22)25)20-15(19-14)10-2-8-13(9-3-10)31(28,29)30-12-6-4-11(5-7-12)23(26)27/h2-9H,1H3,(H,19,20)(H,21,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Dispalcement of [3H]-CCPA from adenosine A1 receptor of rat brain cortical membrane preparations				J Med Chem 47: 1031-43 (2004) Article DOI: 10.1021/jm0310030 BindingDB Entry DOI: 10.7270/Q2J38S05
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