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 = 'BDBM50000670'   

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 (Rattus norvegicus)	BDBM50000670 (8-Methoxy-4-o-tolylamino-quinoline-2-carboxylic ac...) Show SMILES CCOC(=O)c1cc(Nc2ccccc2C)c2cccc(OC)c2n1 Show InChI InChI=1S/C20H20N2O3/c1-4-25-20(23)17-12-16(21-15-10-6-5-8-13(15)2)14-9-7-11-18(24-3)19(14)22-17/h5-12H,4H2,1-3H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	850	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals R&D Curated by ChEMBL					Assay Description Inhibition of rat isolated gastric(H+/K+)-ATPase.				J Med Chem 35: 1845-52 (1992) BindingDB Entry DOI: 10.7270/Q2SQ8ZB3
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