Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Potassium-transporting ATPase alpha chain 1/subunit beta' and Ligand = 'BDBM50001248'   

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
Potassium-transporting ATPase alpha chain 1/subunit beta (Sus scrofa (Pig))	BDBM50001248 (8-Methoxy-4-(methyl-phenyl-amino)-quinoline-3-carb...) Show SMILES CCOC(=O)c1cnc2c(OC)cccc2c1N(C)c1ccccc1 Show InChI InChI=1S/C20H20N2O3/c1-4-25-20(23)16-13-21-18-15(11-8-12-17(18)24-3)19(16)22(2)14-9-6-5-7-10-14/h5-13H,4H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals R&D Curated by ChEMBL					Assay Description Concentration required to inhibit the activity of K+ stimulated gastric ATPase				J Med Chem 35: 3413-22 (1992) BindingDB Entry DOI: 10.7270/Q2CN74J2
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