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 = 'BDBM50032145'   

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))	BDBM50032145 (CHEMBL91804 | N*2*-(4-Fluoro-2-methyl-phenyl)-N*4*...) Show SMILES CN(c1ccccc1)c1nc(Nc2ccc(F)cc2C)nc2c(OCCCN3CCOCC3)cccc12 Show InChI InChI=1S/C29H32FN5O2/c1-21-20-22(30)12-13-25(21)31-29-32-27-24(28(33-29)34(2)23-8-4-3-5-9-23)10-6-11-26(27)37-17-7-14-35-15-18-36-19-16-35/h3-6,8-13,20H,7,14-19H2,1-2H3,(H,31,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals R & D Curated by ChEMBL					Assay Description Inhibition of K+ stimulated gastric ATPase activity				J Med Chem 38: 2763-73 (1995) BindingDB Entry DOI: 10.7270/Q2TT4Q0J
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