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 = 'BDBM50000667'   

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)	BDBM50000667 (3-(6-Methyl-1-o-tolyl-1H-pyrrolo[3,2-c]quinolin-4-...) Show SMILES Cc1ccccc1-n1ccc2c(NCCCO)nc3c(C)cccc3c12 Show InChI InChI=1S/C22H23N3O/c1-15-7-3-4-10-19(15)25-13-11-18-21(25)17-9-5-8-16(2)20(17)24-22(18)23-12-6-14-26/h3-5,7-11,13,26H,6,12,14H2,1-2H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	410	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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