Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50037442'   

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))	BDBM50037442 ((E)-3-(1,3-Dibutyl-7-methyl-2,6-dioxo-2,3,6,7-tetr...) Show SMILES CCCCn1c2nc(\C=C\C(O)=O)n(C)c2c(=O)n(CCCC)c1=O Show InChI InChI=1S/C17H24N4O4/c1-4-6-10-20-15-14(16(24)21(17(20)25)11-7-5-2)19(3)12(18-15)8-9-13(22)23/h8-9H,4-7,10-11H2,1-3H3,(H,22,23)/b9-8+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.91E+3	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
					More data for this Ligand-Target Pair