Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50037428'   

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))	BDBM50037428 ((E)-3-(1,3-Dibutyl-7-methyl-2,6-dioxo-2,3,6,7-tetr...) Show SMILES CCCCn1c2nc(\C=C\C(=O)OC)n(C)c2c(=O)n(CCCC)c1=O Show InChI InChI=1S/C18H26N4O4/c1-5-7-11-21-16-15(17(24)22(18(21)25)12-8-6-2)20(3)13(19-16)9-10-14(23)26-4/h9-10H,5-8,11-12H2,1-4H3/b10-9+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	793	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]-PIA from adenosine A1 receptors of rat brain membrane				J Med Chem 37: 3373-82 (1994) BindingDB Entry DOI: 10.7270/Q28914WW
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