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SMILES: COc1c(OCC(F)(F)F)ccnc1CS(=O)c1nc2cscc2[nH]1

InChI Key: InChIKey=GXXVNXSXPJGZGT-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50000222   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Potassium-transporting ATPase alpha chain 1


(Sus scrofa (Pig))		BDBM50000222
PNG
(2-[3-Methoxy-4-(2,2,2-trifluoro-ethoxy)-pyridin-2-...)
Show SMILES COc1c(OCC(F)(F)F)ccnc1CS(=O)c1nc2cscc2[nH]1
Show InChI InChI=1S/C14H12F3N3O3S2/c1-22-12-10(18-3-2-11(12)23-7-14(15,16)17)6-25(21)13-19-8-4-24-5-9(8)20-13/h2-5H,6-7H2,1H3,(H,19,20)
PDB

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PC sid
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Similars
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against H+/K+ ATPase from pig stomach by probit analysis

J Med Chem 35: 438-50 (1992)


BindingDB Entry DOI: 10.7270/Q2ZG6R5R
More data for this
Ligand-Target Pair