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SMILES: COc1ccnc(C[S+]([O-])c2nc3cc(OC(F)(F)C(F)F)ccc3[nH]2)c1C

InChI Key: InChIKey=QUNAPURTLGQPAG-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50230620   
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/subunit beta


(Homo sapiens (Human))		BDBM50230620
PNG
(CHEMBL9585)
Show SMILES COc1ccnc(C[S+]([O-])c2nc3cc(OC(F)(F)C(F)F)ccc3[nH]2)c1C
Show InChI InChI=1S/C17H15F4N3O3S/c1-9-13(22-6-5-14(9)26-2)8-28(25)16-23-11-4-3-10(7-12(11)24-16)27-17(20,21)15(18)19/h3-7,15H,8H2,1-2H3,(H,23,24)
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KEGG

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PC cid
PC sid
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n/an/a 398n/an/an/an/an/an/a



Byk Gulden Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro evaluation for the inhibition of H+/K+ ATPase at pH < 3 in the gastric glands of isolated rabbit stomach.

J Med Chem 35: 1049-57 (1992)


BindingDB Entry DOI: 10.7270/Q2QJ7KJH
More data for this
Ligand-Target Pair