Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50025688'   

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))	BDBM50025688 (CHEMBL66523 | N-(2-Amino-ethyl)-2-[4-(1,3-dimethyl...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)NCCN)cc1 Show InChI InChI=1S/C17H20N6O4/c1-22-15-13(16(25)23(2)17(22)26)20-14(21-15)10-3-5-11(6-4-10)27-9-12(24)19-8-7-18/h3-6H,7-9,18H2,1-2H3,(H,19,24)(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]- PIA binding at adenosine A1 receptor on rat cerebral cortex membranes.				J Med Chem 30: 211-4 (1987) BindingDB Entry DOI: 10.7270/Q2TT4PZP
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