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 = 'BDBM50001239'   

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))	BDBM50001239 (CHEMBL116272 | Cyclobutyl-(8-methoxy-4-o-tolylamin...) Show SMILES COc1cccc2c(Nc3ccccc3C)c(cnc12)C(=O)C1CCC1 Show InChI InChI=1S/C22H22N2O2/c1-14-7-3-4-11-18(14)24-20-16-10-6-12-19(26-2)21(16)23-13-17(20)22(25)15-8-5-9-15/h3-4,6-7,10-13,15H,5,8-9H2,1-2H3,(H,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+3	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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