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 = 'BDBM50000681'   

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)	BDBM50000681 (CHEMBL54813 | Dimethyl-(6-methyl-1-o-tolyl-2,3-dih...) Show SMILES CN(C)c1nc2c(C)cccc2c2N(CCc12)c1ccccc1C Show InChI InChI=1S/C21H23N3/c1-14-8-5-6-11-18(14)24-13-12-17-20(24)16-10-7-9-15(2)19(16)22-21(17)23(3)4/h5-11H,12-13H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.03E+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
					More data for this Ligand-Target Pair