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Compile Data Set for Download or QSAR

Found 65 hits of ic50 for UniProtKB: P19156   
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))
BDBM394383
PNG
(N-methyl-1-[1-(phenylsulfonyl)-5-(3-thienyl)-1H-py...)
Show SMILES CNCc1cc(-c2ccsc2)n(c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C16H16N2O2S2/c1-17-10-13-9-16(14-7-8-21-12-14)18(11-13)22(19,20)15-5-3-2-4-6-15/h2-9,11-12,17H,10H2,1H3
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Assay Description
According to the method [Biochem. Biophys. Acta., 728, 31 (1983)] of Wallmark et al., a gastric mucous membrane microsomal fraction was prepared from...


J Med Chem 52: 2188-91 (2009)


BindingDB Entry DOI: 10.7270/Q2FF3VPK
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1


(Sus scrofa (Pig))
BDBM394395
PNG
(1-[5-(2,4-Difluorophenyl)-1-(pyridin-3-ylsulfonyl)...)
Show SMILES CNCc1cc(-c2ccc(F)cc2F)n(c1)S(=O)(=O)c1cccnc1
Show InChI InChI=1S/C17H15F2N3O2S/c1-20-9-12-7-17(15-5-4-13(18)8-16(15)19)22(11-12)25(23,24)14-3-2-6-21-10-14/h2-8,10-11,20H,9H2,1H3
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Assay Description
According to the method [Biochem. Biophys. Acta., 728, 31 (1983)] of Wallmark et al., a gastric mucous membrane microsomal fraction was prepared from...


J Med Chem 52: 2188-91 (2009)


BindingDB Entry DOI: 10.7270/Q2FF3VPK
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1


(Sus scrofa (Pig))
BDBM394391
PNG
(1-{5-(2-Fluorophenyl)-1-[(2-fluorophenyl)sulfonyl]...)
Show SMILES CNCc1cc(-c2ccccc2F)n(c1)S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C18H16F2N2O2S/c1-21-11-13-10-17(14-6-2-3-7-15(14)19)22(12-13)25(23,24)18-9-5-4-8-16(18)20/h2-10,12,21H,11H2,1H3
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Assay Description
According to the method [Biochem. Biophys. Acta., 728, 31 (1983)] of Wallmark et al., a gastric mucous membrane microsomal fraction was prepared from...


J Med Chem 52: 2188-91 (2009)


BindingDB Entry DOI: 10.7270/Q2FF3VPK
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1


(Sus scrofa (Pig))
BDBM394389
PNG
(Ethyl 1-(pyridazin-3-ylsulfonyl)-5-phenyl-1H-pyrro...)
Show SMILES CCOC(=O)c1cc(-c2cccc(C)c2)n(c1)S(=O)(=O)c1cccnn1
Show InChI InChI=1S/C18H17N3O4S/c1-3-25-18(22)15-11-16(14-7-4-6-13(2)10-14)21(12-15)26(23,24)17-8-5-9-19-20-17/h4-12H,3H2,1-2H3
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Assay Description
According to the method [Biochem. Biophys. Acta., 728, 31 (1983)] of Wallmark et al., a gastric mucous membrane microsomal fraction was prepared from...


J Med Chem 52: 2188-91 (2009)


BindingDB Entry DOI: 10.7270/Q2FF3VPK
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1


(Sus scrofa (Pig))
BDBM394392
PNG
(1-[5-(2-Fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-...)
Show SMILES CNCc1cc(-c2ccccc2F)n(c1)S(=O)(=O)c1cccnc1
Show InChI InChI=1S/C17H16FN3O2S/c1-19-10-13-9-17(15-6-2-3-7-16(15)18)21(12-13)24(22,23)14-5-4-8-20-11-14/h2-9,11-12,19H,10H2,1H3
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Assay Description
According to the method [Biochem. Biophys. Acta., 728, 31 (1983)] of Wallmark et al., a gastric mucous membrane microsomal fraction was prepared from...


J Med Chem 52: 2188-91 (2009)


BindingDB Entry DOI: 10.7270/Q2FF3VPK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Potassium-transporting ATPase alpha chain 1


(Sus scrofa (Pig))
BDBM394388
PNG
(1-[1-(1-Benzothien-2-ylsulfonyl)-5-phenyl-1H-pyrro...)
Show SMILES CNc1cc(-c2ccccc2)n(c1)S(=O)(=O)c1cc2ccccc2s1
Show InChI InChI=1S/C19H16N2O2S2/c1-20-16-12-17(14-7-3-2-4-8-14)21(13-16)25(22,23)19-11-15-9-5-6-10-18(15)24-19/h2-13,20H,1H3
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Assay Description
According to the method [Biochem. Biophys. Acta., 728, 31 (1983)] of Wallmark et al., a gastric mucous membrane microsomal fraction was prepared from...


J Med Chem 52: 2188-91 (2009)


BindingDB Entry DOI: 10.7270/Q2FF3VPK
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1


(Sus scrofa (Pig))
BDBM394394
PNG
(N-Methyl-1-[5-(2-methylphenyl)-1-(pyridin-3-ylsulf...)
Show SMILES CNCc1cc(-c2ccccc2C)n(c1)S(=O)(=O)c1cccnc1
Show InChI InChI=1S/C18H19N3O2S/c1-14-6-3-4-8-17(14)18-10-15(11-19-2)13-21(18)24(22,23)16-7-5-9-20-12-16/h3-10,12-13,19H,11H2,1-2H3
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Assay Description
According to the method [Biochem. Biophys. Acta., 728, 31 (1983)] of Wallmark et al., a gastric mucous membrane microsomal fraction was prepared from...


J Med Chem 52: 2188-91 (2009)


BindingDB Entry DOI: 10.7270/Q2FF3VPK
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1


(Sus scrofa (Pig))
BDBM394386
PNG
(N-Methyl-1-[5-phenyl-1-(3-thienylsulfonyl)-1H-pyrr...)
Show SMILES CNCc1cc(-c2ccccc2)n(c1)S(=O)(=O)c1ccsc1
Show InChI InChI=1S/C16H16N2O2S2/c1-17-10-13-9-16(14-5-3-2-4-6-14)18(11-13)22(19,20)15-7-8-21-12-15/h2-9,11-12,17H,10H2,1H3
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According to the method [Biochem. Biophys. Acta., 728, 31 (1983)] of Wallmark et al., a gastric mucous membrane microsomal fraction was prepared from...


J Med Chem 52: 2188-91 (2009)


BindingDB Entry DOI: 10.7270/Q2FF3VPK
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1


(Sus scrofa (Pig))
BDBM394378
PNG
(Ethyl 1-[(4-methoxyphenyl)sulfonyl]-5-phenyl-1H-py...)
Show SMILES CCOC(=O)c1cc(-c2ccccc2)n(c1)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C20H19NO5S/c1-3-26-20(22)16-13-19(15-7-5-4-6-8-15)21(14-16)27(23,24)18-11-9-17(25-2)10-12-18/h4-14H,3H2,1-2H3
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Assay Description
According to the method [Biochem. Biophys. Acta., 728, 31 (1983)] of Wallmark et al., a gastric mucous membrane microsomal fraction was prepared from...


J Med Chem 52: 2188-91 (2009)


BindingDB Entry DOI: 10.7270/Q2FF3VPK
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1


(Sus scrofa (Pig))
BDBM394390
PNG
(1-[5-(2-Fluorophenyl)-1-{[3-(methylsulfonyl)phenyl...)
Show SMILES CNCc1cc(-c2ccccc2F)n(c1)S(=O)(=O)c1cccc(c1)S(C)(=O)=O
Show InChI InChI=1S/C19H19FN2O4S2/c1-21-12-14-10-19(17-8-3-4-9-18(17)20)22(13-14)28(25,26)16-7-5-6-15(11-16)27(2,23)24/h3-11,13,21H,12H2,1-2H3
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Assay Description
According to the method [Biochem. Biophys. Acta., 728, 31 (1983)] of Wallmark et al., a gastric mucous membrane microsomal fraction was prepared from...


J Med Chem 52: 2188-91 (2009)


BindingDB Entry DOI: 10.7270/Q2FF3VPK
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1


(Sus scrofa (Pig))
BDBM394387
PNG
(US10308605, Example 140)
Show SMILES COC(=O)c1cn(c(Br)c1C)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C13H12BrNO4S/c1-9-11(13(16)19-2)8-15(12(9)14)20(17,18)10-6-4-3-5-7-10/h3-8H,1-2H3
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Assay Description
According to the method [Biochem. Biophys. Acta., 728, 31 (1983)] of Wallmark et al., a gastric mucous membrane microsomal fraction was prepared from...


J Med Chem 52: 2188-91 (2009)


BindingDB Entry DOI: 10.7270/Q2FF3VPK
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1


(Sus scrofa (Pig))
BDBM394393
PNG
(N-Methyl-3-({4-[(methylamino)methyl]-2-phenyl-1H-p...)
Show SMILES CNCc1cc(-c2ccccc2)n(c1)S(=O)(=O)c1cccc(c1)C(=O)NC
Show InChI InChI=1S/C20H21N3O3S/c1-21-13-15-11-19(16-7-4-3-5-8-16)23(14-15)27(25,26)18-10-6-9-17(12-18)20(24)22-2/h3-12,14,21H,13H2,1-2H3,(H,22,24)
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Assay Description
According to the method [Biochem. Biophys. Acta., 728, 31 (1983)] of Wallmark et al., a gastric mucous membrane microsomal fraction was prepared from...


J Med Chem 52: 2188-91 (2009)


BindingDB Entry DOI: 10.7270/Q2FF3VPK
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1


(Sus scrofa (Pig))
BDBM394377
PNG
(N-Methyl-1-{5-(3-methylphenyl)-1-[(4-methylphenyl)...)
Show SMILES CNCc1cc(-c2cccc(C)c2)n(c1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C20H22N2O2S/c1-15-7-9-19(10-8-15)25(23,24)22-14-17(13-21-3)12-20(22)18-6-4-5-16(2)11-18/h4-12,14,21H,13H2,1-3H3
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Assay Description
According to the method [Biochem. Biophys. Acta., 728, 31 (1983)] of Wallmark et al., a gastric mucous membrane microsomal fraction was prepared from...


J Med Chem 52: 2188-91 (2009)


BindingDB Entry DOI: 10.7270/Q2FF3VPK
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1


(Sus scrofa (Pig))
BDBM50008977
PNG
((8-Benzyloxy-2-methyl-imidazo[1,2-a]pyridin-3-yl)-...)
Show SMILES Cc1nc2c(OCc3ccccc3)cccn2c1CC#N
Show InChI InChI=1S/C17H15N3O/c1-13-15(9-10-18)20-11-5-8-16(17(20)19-13)21-12-14-6-3-2-4-7-14/h2-8,11H,9,12H2,1H3
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Smith Kline & French Research Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of H+/K+ ATPase activity was determined in gastric vesicles of pig using ATPase assay with pH 7


J Med Chem 33: 527-33 (1990)


BindingDB Entry DOI: 10.7270/Q2Z31XND
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Potassium-transporting ATPase alpha chain 1


(Sus scrofa (Pig))
BDBM50013237
PNG
(3-Methyl-4-(4-methyl-2,3-dihydro-pyrrolo[3,2-c]qui...)
Show SMILES Cc1cc(O)ccc1N1CCc2c1c1ccccc1nc2C
Show InChI InChI=1S/C19H18N2O/c1-12-11-14(22)7-8-18(12)21-10-9-15-13(2)20-17-6-4-3-5-16(17)19(15)21/h3-8,11,22H,9-10H2,1-2H3
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Smith Kline & French Research Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of H+/K+ ATPase activity was determined in gastric vesicles of pig using ATPase assay with pH 7


J Med Chem 33: 527-33 (1990)


BindingDB Entry DOI: 10.7270/Q2Z31XND
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1


(Sus scrofa (Pig))
BDBM50013243
PNG
(4-Methyl-1-o-tolyl-2,3-dihydro-1H-pyrrolo[3,2-c]qu...)
Show SMILES Cc1ccccc1N1CCc2c1c1ccccc1nc2C
Show InChI InChI=1S/C19H18N2/c1-13-7-3-6-10-18(13)21-12-11-15-14(2)20-17-9-5-4-8-16(17)19(15)21/h3-10H,11-12H2,1-2H3
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Smith Kline & French Research Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of H+/K+ ATPase activity was determined in gastric vesicles of pig using ATPase assay with pH 7


J Med Chem 33: 527-33 (1990)


BindingDB Entry DOI: 10.7270/Q2Z31XND
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1


(Sus scrofa (Pig))
BDBM50013240
PNG
(4,6-Dimethyl-1-o-tolyl-2,3-dihydro-1H-pyrrolo[3,2-...)
Show SMILES Cc1ccccc1N1CCc2c1c1cccc(C)c1nc2C
Show InChI InChI=1S/C20H20N2/c1-13-7-4-5-10-18(13)22-12-11-16-15(3)21-19-14(2)8-6-9-17(19)20(16)22/h4-10H,11-12H2,1-3H3
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Smith Kline & French Research Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of H+/K+ ATPase activity was determined in gastric vesicles of pig using ATPase assay with pH 7


J Med Chem 33: 527-33 (1990)


BindingDB Entry DOI: 10.7270/Q2Z31XND
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1


(Sus scrofa (Pig))
BDBM50230337
PNG
(CHEMBL343109)
Show SMILES [O-][S+](Cc1cc(OC(F)F)ccn1)c1nc2cscc2[nH]1
Show InChI InChI=1S/C12H9F2N3O2S2/c13-11(14)19-8-1-2-15-7(3-8)6-21(18)12-16-9-4-20-5-10(9)17-12/h1-5,11H,6H2,(H,16,17)
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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
Potassium-transporting ATPase alpha chain 1


(Sus scrofa (Pig))
BDBM50000227
PNG
(2-[4-(4-Fluoro-benzyloxy)-pyridin-2-ylmethanesulfi...)
Show SMILES Fc1ccc(COc2ccnc(CS(=O)c3nc4cscc4[nH]3)c2)cc1
Show InChI InChI=1S/C18H14FN3O2S2/c19-13-3-1-12(2-4-13)8-24-15-5-6-20-14(7-15)11-26(23)18-21-16-9-25-10-17(16)22-18/h1-7,9-10H,8,11H2,(H,21,22)
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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
Potassium-transporting ATPase alpha chain 1


(Sus scrofa (Pig))
BDBM50230305
PNG
(CHEMBL138559)
Show SMILES [O-][S+](Cc1ncccc1Cl)c1nc2cscc2[nH]1
Show InChI InChI=1S/C11H8ClN3OS2/c12-7-2-1-3-13-10(7)6-18(16)11-14-8-4-17-5-9(8)15-11/h1-5H,6H2,(H,14,15)
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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
Potassium-transporting ATPase alpha chain 1


(Sus scrofa (Pig))
BDBM50230341
PNG
(CHEMBL334908)
Show SMILES [O-][S+](Cc1ncccc1OCC(F)(F)F)c1nc2cscc2[nH]1
Show InChI InChI=1S/C13H10F3N3O2S2/c14-13(15,16)7-21-11-2-1-3-17-10(11)6-23(20)12-18-8-4-22-5-9(8)19-12/h1-5H,6-7H2,(H,18,19)
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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
Potassium-transporting ATPase alpha chain 1


(Sus scrofa (Pig))
BDBM50230314
PNG
(CHEMBL342046)
Show SMILES [O-][S+](Cc1ncccc1OC(F)F)c1nc2cscc2[nH]1
Show InChI InChI=1S/C12H9F2N3O2S2/c13-11(14)19-10-2-1-3-15-9(10)6-21(18)12-16-7-4-20-5-8(7)17-12/h1-5,11H,6H2,(H,16,17)
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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
Potassium-transporting ATPase alpha chain 1


(Sus scrofa (Pig))
BDBM50230292
PNG
(CHEMBL139537)
Show SMILES COc1c(F)cnc(C[S+]([O-])c2nc3cscc3[nH]2)c1C
Show InChI InChI=1S/C13H12FN3O2S2/c1-7-11(15-3-8(14)12(7)19-2)6-21(18)13-16-9-4-20-5-10(9)17-13/h3-5H,6H2,1-2H3,(H,16,17)
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n/an/a 500n/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
Potassium-transporting ATPase alpha chain 1


(Sus scrofa (Pig))
BDBM50013236
PNG
(1-(4-Methoxy-2-methyl-phenyl)-4-methyl-2,3-dihydro...)
Show SMILES COc1ccc(N2CCc3c2c2ccccc2nc3C)c(C)c1
Show InChI InChI=1S/C20H20N2O/c1-13-12-15(23-3)8-9-19(13)22-11-10-16-14(2)21-18-7-5-4-6-17(18)20(16)22/h4-9,12H,10-11H2,1-3H3
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n/an/a 530n/an/an/an/an/an/a



Smith Kline & French Research Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of H+/K+ ATPase activity was determined in gastric vesicles of pig using ATPase assay with pH 7


J Med Chem 33: 527-33 (1990)


BindingDB Entry DOI: 10.7270/Q2Z31XND
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1


(Sus scrofa (Pig))
BDBM50000672
PNG
(6-Methoxy-4-methyl-1-o-tolyl-1H-pyrrolo[3,2-c]quin...)
Show SMILES COc1cccc2c3n(ccc3c(C)nc12)-c1ccccc1C
Show InChI InChI=1S/C20H18N2O/c1-13-7-4-5-9-17(13)22-12-11-15-14(2)21-19-16(20(15)22)8-6-10-18(19)23-3/h4-12H,1-3H3
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n/an/a 640n/an/an/an/an/an/a



Smith Kline & French Research Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of H+/K+ ATPase activity was determined in gastric vesicles of pig using ATPase assay with pH 7


J Med Chem 33: 527-33 (1990)


BindingDB Entry DOI: 10.7270/Q2Z31XND
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1


(Sus scrofa (Pig))
BDBM50013228
PNG
(6-Methoxy-4-methyl-1-o-tolyl-2,3-dihydro-1H-pyrrol...)
Show SMILES COc1cccc2c3N(CCc3c(C)nc12)c1ccccc1C
Show InChI InChI=1S/C20H20N2O/c1-13-7-4-5-9-17(13)22-12-11-15-14(2)21-19-16(20(15)22)8-6-10-18(19)23-3/h4-10H,11-12H2,1-3H3
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n/an/a 660n/an/an/an/an/an/a



Smith Kline & French Research Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of H+/K+ ATPase activity was determined in gastric vesicles of pig using ATPase assay with pH 7


J Med Chem 33: 527-33 (1990)


BindingDB Entry DOI: 10.7270/Q2Z31XND
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1


(Sus scrofa (Pig))
BDBM394382
PNG
(1-[(4-Methoxyphenyl)sulfonyl]-5-phenyl-1H-pyrrole-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)n1cc(C=O)cc1-c1ccccc1
Show InChI InChI=1S/C18H15NO4S/c1-23-16-7-9-17(10-8-16)24(21,22)19-12-14(13-20)11-18(19)15-5-3-2-4-6-15/h2-13H,1H3
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n/an/a 710n/an/an/an/an/an/a



Washington University



Assay Description
According to the method [Biochem. Biophys. Acta., 728, 31 (1983)] of Wallmark et al., a gastric mucous membrane microsomal fraction was prepared from...


J Med Chem 52: 2188-91 (2009)


BindingDB Entry DOI: 10.7270/Q2FF3VPK
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1


(Sus scrofa (Pig))
BDBM50013231
PNG
(6-Fluoro-4-methyl-1-o-tolyl-2,3-dihydro-1H-pyrrolo...)
Show SMILES Cc1ccccc1N1CCc2c1c1cccc(F)c1nc2C
Show InChI InChI=1S/C19H17FN2/c1-12-6-3-4-9-17(12)22-11-10-14-13(2)21-18-15(19(14)22)7-5-8-16(18)20/h3-9H,10-11H2,1-2H3
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n/an/a 750n/an/an/an/an/an/a



Smith Kline & French Research Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of H+/K+ ATPase activity was determined in gastric vesicles of pig using ATPase assay with pH 7


J Med Chem 33: 527-33 (1990)


BindingDB Entry DOI: 10.7270/Q2Z31XND
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1


(Sus scrofa (Pig))
BDBM50001247
PNG
(8-Methoxy-4-o-tolylamino-quinoline-3-carboxylic ac...)
Show SMILES CCOC(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1C
Show InChI InChI=1S/C20H20N2O3/c1-4-25-20(23)15-12-21-19-14(9-7-11-17(19)24-3)18(15)22-16-10-6-5-8-13(16)2/h5-12H,4H2,1-3H3,(H,21,22)
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n/an/a 850n/an/an/an/a7.0n/a



Smith Kline & French Research Ltd.

Curated by ChEMBL


Assay Description
Binding affinity of compound towards H+/K+ ATPase for activation was determined


J Med Chem 33: 527-33 (1990)


BindingDB Entry DOI: 10.7270/Q2Z31XND
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1


(Sus scrofa (Pig))
BDBM50000685
PNG
(6-Methyl-1-o-tolyl-2,3-dihydro-1H-pyrrolo[3,2-c]qu...)
Show SMILES Cc1ccccc1N1CCc2cnc3c(C)cccc3c12
Show InChI InChI=1S/C19H18N2/c1-13-6-3-4-9-17(13)21-11-10-15-12-20-18-14(2)7-5-8-16(18)19(15)21/h3-9,12H,10-11H2,1-2H3
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n/an/a 980n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit H+/K+ stimulated ATPase activity in lympholised gastric vesicles


Bioorg Med Chem Lett 5: 543-546 (1995)


Article DOI: 10.1016/0960-894X(95)00069-6
BindingDB Entry DOI: 10.7270/Q2R211CV
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1


(Sus scrofa (Pig))
BDBM50013230
PNG
(6-Methoxy-1-(4-methoxy-2-methyl-phenyl)-4-methyl-2...)
Show SMILES COc1ccc(N2CCc3c2c2cccc(OC)c2nc3C)c(C)c1
Show InChI InChI=1S/C21H22N2O2/c1-13-12-15(24-3)8-9-18(13)23-11-10-16-14(2)22-20-17(21(16)23)6-5-7-19(20)25-4/h5-9,12H,10-11H2,1-4H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Smith Kline & French Research Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of H+/K+ ATPase activity was determined in gastric vesicles of pig using ATPase assay with pH 7


J Med Chem 33: 527-33 (1990)


BindingDB Entry DOI: 10.7270/Q2Z31XND
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1


(Sus scrofa (Pig))
BDBM50013233
PNG
(4-Methyl-1-o-tolyl-2,3-dihydro-1H-pyrrolo[3,2-c]qu...)
Show SMILES Cc1ccccc1N1CCc2c1c1cccc(O)c1nc2C
Show InChI InChI=1S/C19H18N2O/c1-12-6-3-4-8-16(12)21-11-10-14-13(2)20-18-15(19(14)21)7-5-9-17(18)22/h3-9,22H,10-11H2,1-2H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



Smith Kline & French Research Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of H+/K+ ATPase activity was determined in gastric vesicles of pig using ATPase assay with pH 7


J Med Chem 33: 527-33 (1990)


BindingDB Entry DOI: 10.7270/Q2Z31XND
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1


(Sus scrofa (Pig))
BDBM50013229
PNG
(6-Methoxy-4,5-dimethyl-1-o-tolyl-2,3-dihydro-1H-py...)
Show SMILES COc1cccc2[c+]3N(CCc3c(C)n(C)c12)c1ccccc1C
Show InChI InChI=1S/C21H23N2O/c1-14-8-5-6-10-18(14)23-13-12-16-15(2)22(3)21-17(20(16)23)9-7-11-19(21)24-4/h5-11H,12-13H2,1-4H3/q+1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Smith Kline & French Research Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of H+/K+ ATPase activity was determined in gastric vesicles of pig using ATPase assay with pH 7


J Med Chem 33: 527-33 (1990)


BindingDB Entry DOI: 10.7270/Q2Z31XND
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1


(Sus scrofa (Pig))
BDBM50013239
PNG
(1-(2,6-Dimethyl-phenyl)-4-methyl-2,3-dihydro-1H-py...)
Show SMILES Cc1cccc(C)c1N1CCc2c1c1ccccc1nc2C
Show InChI InChI=1S/C20H20N2/c1-13-7-6-8-14(2)19(13)22-12-11-16-15(3)21-18-10-5-4-9-17(18)20(16)22/h4-10H,11-12H2,1-3H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Smith Kline & French Research Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of H+/K+ ATPase activity was determined in gastric vesicles of pig using ATPase assay with pH 7


J Med Chem 33: 527-33 (1990)


BindingDB Entry DOI: 10.7270/Q2Z31XND
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1


(Sus scrofa (Pig))
BDBM50013234
PNG
(6-Methoxy-1-(2-methoxy-phenyl)-4-methyl-2,3-dihydr...)
Show SMILES COc1ccccc1N1CCc2c1c1cccc(OC)c1nc2C
Show InChI InChI=1S/C20H20N2O2/c1-13-14-11-12-22(16-8-4-5-9-17(16)23-2)20(14)15-7-6-10-18(24-3)19(15)21-13/h4-10H,11-12H2,1-3H3
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n/an/a 1.60E+3n/an/an/an/an/an/a



Smith Kline & French Research Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of H+/K+ ATPase activity was determined in gastric vesicles of pig using ATPase assay with pH 7


J Med Chem 33: 527-33 (1990)


BindingDB Entry DOI: 10.7270/Q2Z31XND
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1


(Sus scrofa (Pig))
BDBM50000259
PNG
(2-[4-(2,2,3,3,4,4,5,5-Octafluoro-pentyloxy)-pyridi...)
Show SMILES FC(F)C(F)(F)C(F)(F)C(F)(F)COc1ccnc(CS(=O)c2nc3cscc3[nH]2)c1
Show InChI InChI=1S/C16H11F8N3O2S2/c17-12(18)15(21,22)16(23,24)14(19,20)7-29-9-1-2-25-8(3-9)6-31(28)13-26-10-4-30-5-11(10)27-13/h1-5,12H,6-7H2,(H,26,27)
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n/an/a 2.00E+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
Potassium-transporting ATPase alpha chain 1


(Sus scrofa (Pig))
BDBM50000211
PNG
(4,6-Dimethyl-2-[4-(2,2,2-trifluoro-ethoxy)-pyridin...)
Show SMILES Cc1sc(C)c2[nH]c(nc12)S(=O)Cc1cc(OCC(F)(F)F)ccn1
Show InChI InChI=1S/C15H14F3N3O2S2/c1-8-12-13(9(2)24-8)21-14(20-12)25(22)6-10-5-11(3-4-19-10)23-7-15(16,17)18/h3-5H,6-7H2,1-2H3,(H,20,21)
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n/an/a 2.00E+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
Potassium-transporting ATPase alpha chain 1


(Sus scrofa (Pig))
BDBM50286575
PNG
(2-(2-Propyl-5-o-tolyl-thiazol-4-yl)-pyridin-4-ylam...)
Show SMILES CCCc1nc(c(s1)-c1ccccc1C)-c1cc(N)ccn1
Show InChI InChI=1S/C18H19N3S/c1-3-6-16-21-17(15-11-13(19)9-10-20-15)18(22-16)14-8-5-4-7-12(14)2/h4-5,7-11H,3,6H2,1-2H3,(H2,19,20)
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n/an/a 2.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit H+/K+ stimulated ATPase activity in lympholised gastric vesicles


Bioorg Med Chem Lett 5: 543-546 (1995)


Article DOI: 10.1016/0960-894X(95)00069-6
BindingDB Entry DOI: 10.7270/Q2R211CV
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1


(Sus scrofa (Pig))
BDBM50013226
PNG
(6-Methoxy-4-methyl-1-phenyl-2,3-dihydro-1H-pyrrolo...)
Show SMILES COc1cccc2c3N(CCc3c(C)nc12)c1ccccc1
Show InChI InChI=1S/C19H18N2O/c1-13-15-11-12-21(14-7-4-3-5-8-14)19(15)16-9-6-10-17(22-2)18(16)20-13/h3-10H,11-12H2,1-2H3
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n/an/a 2.40E+3n/an/an/an/an/an/a



Smith Kline & French Research Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of H+/K+ ATPase activity was determined in gastric vesicles of pig using ATPase assay with pH 7


J Med Chem 33: 527-33 (1990)


BindingDB Entry DOI: 10.7270/Q2Z31XND
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1


(Sus scrofa (Pig))
BDBM50013242
PNG
(4-Methyl-1-o-tolyl-2,3-dihydro-1H-pyrrolo[3,2-c]qu...)
Show SMILES Cc1ccccc1N1CCc2c1c1ccccc1[n+]([O-])c2C
Show InChI InChI=1S/C19H18N2O/c1-13-7-3-5-9-17(13)20-12-11-15-14(2)21(22)18-10-6-4-8-16(18)19(15)20/h3-10H,11-12H2,1-2H3
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n/an/a 2.90E+3n/an/an/an/an/an/a



Smith Kline & French Research Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of H+/K+ ATPase activity was determined in gastric vesicles of pig using ATPase assay with pH 7


J Med Chem 33: 527-33 (1990)


BindingDB Entry DOI: 10.7270/Q2Z31XND
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1


(Sus scrofa (Pig))
BDBM50286576
PNG
(6-(2-Propyl-5-o-tolyl-thiazol-4-yl)-pyridin-2-ylam...)
Show SMILES CCCc1nc(c(s1)-c1ccccc1C)-c1cccc(N)n1
Show InChI InChI=1S/C18H19N3S/c1-3-7-16-21-17(14-10-6-11-15(19)20-14)18(22-16)13-9-5-4-8-12(13)2/h4-6,8-11H,3,7H2,1-2H3,(H2,19,20)
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n/an/a 2.90E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit H+/K+ stimulated ATPase activity in lympholised gastric vesicles


Bioorg Med Chem Lett 5: 543-546 (1995)


Article DOI: 10.1016/0960-894X(95)00069-6
BindingDB Entry DOI: 10.7270/Q2R211CV
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1


(Sus scrofa (Pig))
BDBM50000199
PNG
(2-[3-Methoxy-4-(2,2,3,3-tetrafluoro-propoxy)-pyrid...)
Show SMILES COc1c(OCC(F)(F)C(F)F)ccnc1CS(=O)c1nc2cscc2[nH]1
Show InChI InChI=1S/C15H13F4N3O3S2/c1-24-12-10(6-27(23)14-21-8-4-26-5-9(8)22-14)20-3-2-11(12)25-7-15(18,19)13(16)17/h2-5,13H,6-7H2,1H3,(H,21,22)
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n/an/a 3.00E+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
Potassium-transporting ATPase alpha chain 1


(Sus scrofa (Pig))
BDBM50013227
PNG
(7-Methoxy-1-o-tolyl-1,2,3,4-tetrahydro-benzo[h][1,...)
Show SMILES COc1cccc2c3N(CCCc3cnc12)c1ccccc1C
Show InChI InChI=1S/C20H20N2O/c1-14-7-3-4-10-17(14)22-12-6-8-15-13-21-19-16(20(15)22)9-5-11-18(19)23-2/h3-5,7,9-11,13H,6,8,12H2,1-2H3
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n/an/a 3.10E+3n/an/an/an/an/an/a



Smith Kline & French Research Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of H+/K+ ATPase activity was determined in gastric vesicles of pig using ATPase assay with pH 7


J Med Chem 33: 527-33 (1990)


BindingDB Entry DOI: 10.7270/Q2Z31XND
More data for this
Ligand-Target Pair
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)
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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
Potassium-transporting ATPase alpha chain 1


(Sus scrofa (Pig))
BDBM50286571
PNG
(2-(2,5-Di-o-tolyl-thiazol-4-yl)-pyridine | CHEMBL3...)
Show SMILES Cc1ccccc1-c1nc(c(s1)-c1ccccc1C)-c1ccccn1
Show InChI InChI=1S/C22H18N2S/c1-15-9-3-5-11-17(15)21-20(19-13-7-8-14-23-19)24-22(25-21)18-12-6-4-10-16(18)2/h3-14H,1-2H3
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Article
n/an/a 4.90E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit H+/K+ stimulated ATPase activity in lympholised gastric vesicles


Bioorg Med Chem Lett 5: 543-546 (1995)


Article DOI: 10.1016/0960-894X(95)00069-6
BindingDB Entry DOI: 10.7270/Q2R211CV
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1


(Sus scrofa (Pig))
BDBM50292546
PNG
(3,4,5,6-tetrahydroxyxanthone | CHEMBL477921 | US91...)
Show SMILES Oc1ccc2c(oc3c(O)c(O)ccc3c2=O)c1O
Show InChI InChI=1S/C13H8O6/c14-7-3-1-5-9(16)6-2-4-8(15)11(18)13(6)19-12(5)10(7)17/h1-4,14-15,17-18H
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US Patent
n/an/a 5.00E+3n/an/an/an/a7.437



THE UNIVERSITY OF TOLEDO

US Patent


Assay Description
The purified Na/K-ATPase was prepared from pig kidney. The specific activities of Na/K-ATPase of various kidney preparations were in the range of 900...


US Patent US9114126 (2015)


BindingDB Entry DOI: 10.7270/Q2Z31XFQ
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1


(Sus scrofa (Pig))
BDBM50000237
PNG
(2-[4-(2,2,3,3,4,4,4-Heptafluoro-butoxy)-3-methoxy-...)
Show SMILES COc1c(OCC(F)(F)C(F)(F)C(F)(F)F)ccnc1CS(=O)c1nc2cscc2[nH]1
Show InChI InChI=1S/C16H12F7N3O3S2/c1-28-12-10(6-31(27)13-25-8-4-30-5-9(8)26-13)24-3-2-11(12)29-7-14(17,18)15(19,20)16(21,22)23/h2-5H,6-7H2,1H3,(H,25,26)
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n/an/a 7.00E+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
Potassium-transporting ATPase alpha chain 1


(Sus scrofa (Pig))
BDBM50286572
PNG
(2-(2-Propyl-5-o-tolyl-thiazol-4-yl)-pyridine | CHE...)
Show SMILES CCCc1nc(c(s1)-c1ccccc1C)-c1ccccn1
Show InChI InChI=1S/C18H18N2S/c1-3-8-16-20-17(15-11-6-7-12-19-15)18(21-16)14-10-5-4-9-13(14)2/h4-7,9-12H,3,8H2,1-2H3
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n/an/a 8.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit H+/K+ stimulated ATPase activity in lympholised gastric vesicles


Bioorg Med Chem Lett 5: 543-546 (1995)


Article DOI: 10.1016/0960-894X(95)00069-6
BindingDB Entry DOI: 10.7270/Q2R211CV
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1


(Sus scrofa (Pig))
BDBM50286570
PNG
(2-(2-Benzyl-5-o-tolyl-thiazol-4-yl)-pyridine | CHE...)
Show SMILES Cc1ccccc1-c1sc(Cc2ccccc2)nc1-c1ccccn1
Show InChI InChI=1S/C22H18N2S/c1-16-9-5-6-12-18(16)22-21(19-13-7-8-14-23-19)24-20(25-22)15-17-10-3-2-4-11-17/h2-14H,15H2,1H3
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n/an/a 9.60E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit H+/K+ stimulated ATPase activity in lympholised gastric vesicles


Bioorg Med Chem Lett 5: 543-546 (1995)


Article DOI: 10.1016/0960-894X(95)00069-6
BindingDB Entry DOI: 10.7270/Q2R211CV
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1


(Sus scrofa (Pig))
BDBM50013235
PNG
(1-o-Tolyl-1H-imidazo[4,5-c]quinoline | CHEMBL35727...)
Show SMILES Cc1ccccc1-n1cnc2cnc3ccccc3c12
Show InChI InChI=1S/C17H13N3/c1-12-6-2-5-9-16(12)20-11-19-15-10-18-14-8-4-3-7-13(14)17(15)20/h2-11H,1H3
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n/an/a 9.80E+3n/an/an/an/an/an/a



Smith Kline & French Research Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of H+/K+ ATPase activity was determined in gastric vesicles of pig using ATPase assay with pH 7


J Med Chem 33: 527-33 (1990)


BindingDB Entry DOI: 10.7270/Q2Z31XND
More data for this
Ligand-Target Pair
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