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 = 'BDBM50081761'   

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 (Homo sapiens (Human))	BDBM50081761 (4-(3-Isopropyl-6-methoxy-pyrrolo[3,2-c]quinolin-1-...) Show SMILES COc1cccc2c3n(cc(C(C)C)c3cnc12)-c1ccc(O)cc1C Show InChI InChI=1S/C22H22N2O2/c1-13(2)18-12-24(19-9-8-15(25)10-14(19)3)22-16-6-5-7-20(26-4)21(16)23-11-17(18)22/h5-13,25H,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Compound was tested in vitro for H+/K+ ATPase activity in rabbit stomach preparations				Bioorg Med Chem Lett 9: 2819-22 (1999) BindingDB Entry DOI: 10.7270/Q2T72GM3
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