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 = 'BDBM50001245'   

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))	BDBM50001245 (8-Methoxy-4-o-tolylamino-quinoline-3-carboxylic ac...) Show SMILES COc1cccc2c(Nc3ccccc3C)c(cnc12)C(=O)NCc1ccccc1 Show InChI InChI=1S/C25H23N3O2/c1-17-9-6-7-13-21(17)28-23-19-12-8-14-22(30-2)24(19)26-16-20(23)25(29)27-15-18-10-4-3-5-11-18/h3-14,16H,15H2,1-2H3,(H,26,28)(H,27,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.90E+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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