Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50011850'   

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))	BDBM50011850 (3-Methyl-1-propyl-8-pyridin-3-yl-3,7-dihydro-purin...) Show SMILES CCCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1cccnc1 Show InChI InChI=1S/C14H15N5O2/c1-3-7-19-13(20)10-12(18(2)14(19)21)17-11(16-10)9-5-4-6-15-8-9/h4-6,8H,3,7H2,1-2H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nova Pharmaceutical Corporation Curated by ChEMBL					Assay Description Binding affinity against Adenosine A1 receptor in rat cortex by displacement of [3H]-cyclohexyladenosine (CHA)				J Med Chem 34: 1431-5 (1991) BindingDB Entry DOI: 10.7270/Q2G73CP1
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