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 = 'BDBM50000682'   

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)	BDBM50000682 (CHEMBL292179 | [1-(4-Methoxy-2-methyl-phenyl)-6-me...) Show SMILES CNc1nc2c(C)cccc2c2N(CCc12)c1ccc(OC)cc1C Show InChI InChI=1S/C21H23N3O/c1-13-6-5-7-16-19(13)23-21(22-3)17-10-11-24(20(16)17)18-9-8-15(25-4)12-14(18)2/h5-9,12H,10-11H2,1-4H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	280	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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