Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50088471'   

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))	BDBM50088471 (1-(2-Methoxy-phenyl)-3-(2-phenyl-quinazolin-4-yl)-...) Show SMILES COc1ccccc1NC(=O)Nc1nc(nc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C22H18N4O2/c1-28-19-14-8-7-13-18(19)24-22(27)26-21-16-11-5-6-12-17(16)23-20(25-21)15-9-3-2-4-10-15/h2-14H,1H3,(H2,23,24,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.87E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Displacement of [3H]-DPCPX from adenosine A1 receptor of rat brain cortical membrane				J Med Chem 43: 2227-38 (2000) BindingDB Entry DOI: 10.7270/Q2T72GNJ
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