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 = 'BDBM50000674'   

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)	BDBM50000674 (4-Chloro-6-methoxy-1-(2-methoxy-phenyl)-2,3-dihydr...) Show SMILES COc1ccccc1N1CCc2c1c1cccc(OC)c1nc2Cl Show InChI InChI=1S/C19H17ClN2O2/c1-23-15-8-4-3-7-14(15)22-11-10-13-18(22)12-6-5-9-16(24-2)17(12)21-19(13)20/h3-9H,10-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.07E+4	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals R&D Curated by ChEMBL					Assay Description The compound was evaluated for the inhibition of gastric H+/K+ ATPase				J Med Chem 35: 1845-52 (1992) BindingDB Entry DOI: 10.7270/Q2SQ8ZB3
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