Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50042218'   

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))	BDBM50042218 (1-(3-Chloro-benzyl)-8-phenyl-3,7-dihydro-purine-2,...) Show SMILES Clc1cccc(Cn2c(=O)[nH]c3nc([nH]c3c2=O)-c2ccccc2)c1 Show InChI InChI=1S/C18H13ClN4O2/c19-13-8-4-5-11(9-13)10-23-17(24)14-16(22-18(23)25)21-15(20-14)12-6-2-1-3-7-12/h1-9H,10H2,(H,20,21)(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmazeutische Chemie Curated by ChEMBL					Assay Description Binding affinity at A1 adenosine receptor in rat brain cortical membrane using [3H]- N6-R-phenylisopropyladenosine (R-PIA)				J Med Chem 36: 3341-9 (1993) BindingDB Entry DOI: 10.7270/Q26Q1W9W
					More data for this Ligand-Target Pair