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 = 'BDBM50368007'   

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))	BDBM50368007 (CHEMBL1203475) Show SMILES COC(=O)c1ccc2[nH]cc(-c3csc(N=C(N)N)n3)c2c1 |(-4.79,3.68,;-3.72,3.07,;-3.72,1.53,;-4.78,.91,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;1.41,3.98,;2.4,5.16,;3.83,4.58,;5.14,5.39,;6.5,4.67,;7.54,5.32,;6.54,3.44,;3.72,3.05,;.3,.77,;-1.03,1.55,)| Show InChI InChI=1S/C14H13N5O2S/c1-21-12(20)7-2-3-10-8(4-7)9(5-17-10)11-6-22-14(18-11)19-13(15)16/h2-6,17H,1H3,(H4,15,16,18,19)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against dog gastric proton-pump enzyme H+/K+ ATPase				J Med Chem 33: 543-52 (1990) BindingDB Entry DOI: 10.7270/Q2K35V79
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