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 = 'BDBM50000676'   

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)	BDBM50000676 (1-Methyl-3-(6-methyl-1-o-tolyl-2,3-dihydro-1H-pyrr...) Show SMILES CNC(=O)Nc1nc2c(C)cccc2c2N(CCc12)c1ccccc1C Show InChI InChI=1S/C21H22N4O/c1-13-7-4-5-10-17(13)25-12-11-16-19(25)15-9-6-8-14(2)18(15)23-20(16)24-21(26)22-3/h4-10H,11-12H2,1-3H3,(H2,22,23,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.97E+3	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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