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Found 756 hits Enz. Inhib. hit(s) with Target = 'Potassium-transporting ATPase' AND taxid = 9823   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Potassium-transporting ATPase


(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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290n/an/an/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)


Article DOI: 10.1021/jm00164a010
BindingDB Entry DOI: 10.7270/Q2Z31XND
More data for this
Ligand-Target Pair
Na/K-ATPase


(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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290n/an/an/an/an/an/an/an/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)


Article DOI: 10.1021/jm00164a010
BindingDB Entry DOI: 10.7270/Q2Z31XND
More data for this
Ligand-Target Pair
Na/K-ATPase


(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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838n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to inhibit K+-stimulated ATPase activity


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


(Sus scrofa (Pig))
BDBM50230305
PNG
(CHEMBL138559)
Show SMILES [O-][S+](Cc1ncccc1Cl)c1nc2cscc2[nH]1
Show InChI InChI=1/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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n/an/a 0n/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)


Article DOI: 10.1021/jm00081a004
BindingDB Entry DOI: 10.7270/Q2ZG6R5R
More data for this
Ligand-Target Pair
Potassium-transporting ATPase


(Sus scrofa (Pig))
BDBM50230337
PNG
(CHEMBL343109)
Show SMILES [O-][S+](Cc1cc(OC(F)F)ccn1)c1nc2cscc2[nH]1
Show InChI InChI=1/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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n/an/a 0n/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)


Article DOI: 10.1021/jm00081a004
BindingDB Entry DOI: 10.7270/Q2ZG6R5R
More data for this
Ligand-Target Pair
Potassium-transporting ATPase


(Sus scrofa (Pig))
BDBM50230341
PNG
(CHEMBL334908)
Show SMILES [O-][S+](Cc1ncccc1OCC(F)(F)F)c1nc2cscc2[nH]1
Show InChI InChI=1/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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n/an/a 0n/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)


Article DOI: 10.1021/jm00081a004
BindingDB Entry DOI: 10.7270/Q2ZG6R5R
More data for this
Ligand-Target Pair
Potassium-transporting ATPase


(Sus scrofa (Pig))
BDBM50230314
PNG
(CHEMBL342046)
Show SMILES [O-][S+](Cc1ncccc1OC(F)F)c1nc2cscc2[nH]1
Show InChI InChI=1/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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n/an/a 0n/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)


Article DOI: 10.1021/jm00081a004
BindingDB Entry DOI: 10.7270/Q2ZG6R5R
More data for this
Ligand-Target Pair
Potassium-transporting ATPase


(Sus scrofa (Pig))
BDBM50230292
PNG
(CHEMBL139537)
Show SMILES COc1c(F)cnc(C[S+]([O-])c2nc3cscc3[nH]2)c1C
Show InChI InChI=1/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 0n/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)


Article DOI: 10.1021/jm00081a004
BindingDB Entry DOI: 10.7270/Q2ZG6R5R
More data for this
Ligand-Target Pair
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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n/an/a 4.20n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

US Patent


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...


US Patent US10308605 (2019)

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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n/an/a 8.90n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

US Patent


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...


US Patent US10308605 (2019)

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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n/an/a 9n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

US Patent


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...


US Patent US10308605 (2019)

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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n/an/a 13n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

US Patent


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...


US Patent US10308605 (2019)

More data for this
Ligand-Target Pair
Potassium-transporting ATPase


(Sus scrofa (Pig))
BDBM50032134
PNG
(2-(4-Fluoro-2-methyl-phenylamino)-4-(methyl-phenyl...)
Show SMILES CN(c1ccccc1)c1nc(Nc2ccc(F)cc2C)nc2ccc(O)cc12
Show InChI InChI=1S/C22H19FN4O/c1-14-12-15(23)8-10-19(14)24-22-25-20-11-9-17(28)13-18(20)21(26-22)27(2)16-6-4-3-5-7-16/h3-13,28H,1-2H3,(H,24,25,26)
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n/an/a 18n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals R&D

Curated by ChEMBL


Assay Description
Inhibition of K+ stimulated gastric ATPase activity


J Med Chem 38: 2763-73 (1995)


Article DOI: 10.1021/jm00014a027
BindingDB Entry DOI: 10.7270/Q2TT4Q0J
More data for this
Ligand-Target Pair
Potassium-transporting ATPase


(Sus scrofa (Pig))
BDBM50032124
PNG
(CHEMBL315880 | N*4*-Methyl-N*4*-phenyl-N*2*-o-toly...)
Show SMILES CN(c1ccccc1)c1nc(Nc2ccccc2C)nc2ccsc12
Show InChI InChI=1S/C20H18N4S/c1-14-8-6-7-11-16(14)21-20-22-17-12-13-25-18(17)19(23-20)24(2)15-9-4-3-5-10-15/h3-13H,1-2H3,(H,21,22,23)
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n/an/a 19n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals R&D

Curated by ChEMBL


Assay Description
Inhibition of K+ stimulated gastric ATPase activity


J Med Chem 38: 2763-73 (1995)


Article DOI: 10.1021/jm00014a027
BindingDB Entry DOI: 10.7270/Q2TT4Q0J
More data for this
Ligand-Target Pair
Potassium-transporting ATPase


(Sus scrofa (Pig))
BDBM50032135
PNG
(4-[Methyl-(2-o-tolylamino-quinazolin-4-yl)-amino]-...)
Show SMILES CN(c1ccc(O)cc1)c1nc(Nc2ccccc2C)nc2ccccc12
Show InChI InChI=1S/C22H20N4O/c1-15-7-3-5-9-19(15)23-22-24-20-10-6-4-8-18(20)21(25-22)26(2)16-11-13-17(27)14-12-16/h3-14,27H,1-2H3,(H,23,24,25)
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n/an/a 19n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals R&D

Curated by ChEMBL


Assay Description
Inhibition of K+ stimulated gastric ATPase activity


J Med Chem 38: 2763-73 (1995)


Article DOI: 10.1021/jm00014a027
BindingDB Entry DOI: 10.7270/Q2TT4Q0J
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/beta chain


(Homo sapiens (Human))
BDBM50367787
PNG
(CHEMBL1202672)
Show SMILES C(COc1ccc(cc1)-c1csc(n1)-c1ccccc1)Cn1ccnc1
Show InChI InChI=1S/C21H19N3OS/c1-2-5-18(6-3-1)21-23-20(15-26-21)17-7-9-19(10-8-17)25-14-4-12-24-13-11-22-16-24/h1-3,5-11,13,15-16H,4,12,14H2
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n/an/a 20n/an/an/an/an/an/a



Ortho Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Antisecretory activity evaluated by the inhibition of 14C -AP uptake in isolated rabbit parietal cells stimulated by dibutyryl cyclic adenosine 3', 5...


J Med Chem 31: 1778-85 (1988)


Article DOI: 10.1021/jm00117a018
BindingDB Entry DOI: 10.7270/Q20P10MZ
More data for this
Ligand-Target Pair
Potassium-transporting ATPase


(Sus scrofa (Pig))
BDBM50032123
PNG
(8-(3-Dimethylamino-propoxy)-N*4*-methyl-N*4*-pheny...)
Show SMILES CN(C)CCCOc1cccc2c(nc(Nc3ccccc3C)nc12)N(C)c1ccccc1
Show InChI InChI=1S/C27H31N5O/c1-20-12-8-9-16-23(20)28-27-29-25-22(15-10-17-24(25)33-19-11-18-31(2)3)26(30-27)32(4)21-13-6-5-7-14-21/h5-10,12-17H,11,18-19H2,1-4H3,(H,28,29,30)
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n/an/a 21n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals R&D

Curated by ChEMBL


Assay Description
Inhibition of K+ stimulated gastric ATPase activity


J Med Chem 38: 2763-73 (1995)


Article DOI: 10.1021/jm00014a027
BindingDB Entry DOI: 10.7270/Q2TT4Q0J
More data for this
Ligand-Target Pair
Potassium-transporting ATPase


(Sus scrofa (Pig))
BDBM50032092
PNG
(CHEMBL330495 | N*2*-(4-Fluoro-2-methyl-phenyl)-N*4...)
Show SMILES CN(c1ccccc1)c1nc(Nc2ccc(F)cc2C)nc2ccccc12
Show InChI InChI=1S/C22H19FN4/c1-15-14-16(23)12-13-19(15)24-22-25-20-11-7-6-10-18(20)21(26-22)27(2)17-8-4-3-5-9-17/h3-14H,1-2H3,(H,24,25,26)
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n/an/a 21n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals R&D

Curated by ChEMBL


Assay Description
Inhibition of K+ stimulated gastric ATPase activity


J Med Chem 38: 2763-73 (1995)


Article DOI: 10.1021/jm00014a027
BindingDB Entry DOI: 10.7270/Q2TT4Q0J
More data for this
Ligand-Target Pair
Potassium-transporting ATPase


(Sus scrofa (Pig))
BDBM50032137
PNG
(CHEMBL92757 | N*4*-Methyl-N*4*-phenyl-N*2*-o-tolyl...)
Show SMILES CN(c1ccccc1)c1nc(Nc2ccccc2C)nc2ccccc12
Show InChI InChI=1S/C22H20N4/c1-16-10-6-8-14-19(16)23-22-24-20-15-9-7-13-18(20)21(25-22)26(2)17-11-4-3-5-12-17/h3-15H,1-2H3,(H,23,24,25)
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n/an/a 22n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals R&D

Curated by ChEMBL


Assay Description
Inhibition of K+ stimulated gastric ATPase activity


J Med Chem 38: 2763-73 (1995)


Article DOI: 10.1021/jm00014a027
BindingDB Entry DOI: 10.7270/Q2TT4Q0J
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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n/an/a 22n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

US Patent


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...


US Patent US10308605 (2019)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Potassium-transporting ATPase


(Sus scrofa (Pig))
BDBM50032090
PNG
(4-(Methyl-phenyl-amino)-2-o-tolylamino-quinazolin-...)
Show SMILES CN(c1ccccc1)c1nc(Nc2ccccc2C)nc2ccc(O)cc12
Show InChI InChI=1S/C22H20N4O/c1-15-8-6-7-11-19(15)23-22-24-20-13-12-17(27)14-18(20)21(25-22)26(2)16-9-4-3-5-10-16/h3-14,27H,1-2H3,(H,23,24,25)
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n/an/a 24n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals R&D

Curated by ChEMBL


Assay Description
Inhibition of K+ stimulated gastric ATPase activity


J Med Chem 38: 2763-73 (1995)


Article DOI: 10.1021/jm00014a027
BindingDB Entry DOI: 10.7270/Q2TT4Q0J
More data for this
Ligand-Target Pair
Potassium-transporting ATPase


(Sus scrofa (Pig))
BDBM50073332
PNG
((2Z,4E)-5-(5,6-Dichloro-1H-indol-2-yl)-2-methoxy-p...)
Show SMILES CO\C(=C/C=C/c1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)NC1CC(C)(C)N(C)C(C)(C)C1
Show InChI InChI=1S/C24H31Cl2N3O2/c1-23(2)13-17(14-24(3,4)29(23)5)28-22(30)21(31-6)9-7-8-16-10-15-11-18(25)19(26)12-20(15)27-16/h7-12,17,27H,13-14H2,1-6H3,(H,28,30)/b8-7+,21-9-
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n/an/a 27n/an/an/an/an/an/a



SmithKline Beecham Research Unit

Curated by ChEMBL


Assay Description
Compound was measured for the inhibition of bafilomycin-sensitive ATPase activity in partially purified membrane preparation from chicken osteoclast ...


Bioorg Med Chem Lett 8: 3621-6 (1999)


Article DOI: 10.1016/s0960-894x(98)00660-x
BindingDB Entry DOI: 10.7270/Q2R49PXM
More data for this
Ligand-Target Pair
Potassium-transporting ATPase


(Sus scrofa (Pig))
BDBM50032108
PNG
(4-[(4-Methoxy-phenyl)-methyl-amino]-1-methyl-2-o-t...)
Show SMILES COc1ccc(cc1)[N+](\C)=c1\nc(Nc2ccccc2C)n(C)c2ccccc12
Show InChI InChI=1S/C24H24N4O/c1-17-9-5-7-11-21(17)25-24-26-23(20-10-6-8-12-22(20)28(24)3)27(2)18-13-15-19(29-4)16-14-18/h5-16H,1-4H3/p+1
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n/an/a 28n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals R&D

Curated by ChEMBL


Assay Description
Inhibition of K+ stimulated gastric ATPase activity


J Med Chem 38: 2763-73 (1995)


Article DOI: 10.1021/jm00014a027
BindingDB Entry DOI: 10.7270/Q2TT4Q0J
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/beta chain


(Homo sapiens (Human))
BDBM50367813
PNG
(CHEMBL1202661)
Show SMILES CCCN(CCC)CCCCOc1ccc(\C=C\c2nc3ccccc3s2)cc1
Show InChI InChI=1S/C25H32N2OS/c1-3-17-27(18-4-2)19-7-8-20-28-22-14-11-21(12-15-22)13-16-25-26-23-9-5-6-10-24(23)29-25/h5-6,9-16H,3-4,7-8,17-20H2,1-2H3/b16-13+
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n/an/a 30n/an/an/an/an/an/a



Ortho Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Antisecretory activity evaluated by the inhibition of 14C -AP uptake in isolated rabbit parietal cells stimulated by exogenous histamine


J Med Chem 31: 1778-85 (1988)


Article DOI: 10.1021/jm00117a018
BindingDB Entry DOI: 10.7270/Q20P10MZ
More data for this
Ligand-Target Pair
Potassium-transporting ATPase


(Sus scrofa (Pig))
BDBM50032116
PNG
(CHEMBL420621 | N*2*-(4-Fluoro-2-methyl-phenyl)-8-m...)
Show SMILES COc1cccc2c(nc(Nc3ccc(F)cc3C)nc12)N(C)c1ccccc1
Show InChI InChI=1S/C23H21FN4O/c1-15-14-16(24)12-13-19(15)25-23-26-21-18(10-7-11-20(21)29-3)22(27-23)28(2)17-8-5-4-6-9-17/h4-14H,1-3H3,(H,25,26,27)
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n/an/a 32n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals R&D

Curated by ChEMBL


Assay Description
Inhibition of K+ stimulated gastric ATPase activity


J Med Chem 38: 2763-73 (1995)


Article DOI: 10.1021/jm00014a027
BindingDB Entry DOI: 10.7270/Q2TT4Q0J
More data for this
Ligand-Target Pair
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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n/an/a 33n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

US Patent


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...


US Patent US10308605 (2019)

More data for this
Ligand-Target Pair
Potassium-transporting ATPase


(Sus scrofa (Pig))
BDBM50032119
PNG
(CHEMBL330283 | N*4*-(4-Methoxy-phenyl)-N*4*-methyl...)
Show SMILES COc1ccc(cc1)N(C)c1nc(Nc2ccccc2C)nc2ccccc12
Show InChI InChI=1S/C23H22N4O/c1-16-8-4-6-10-20(16)24-23-25-21-11-7-5-9-19(21)22(26-23)27(2)17-12-14-18(28-3)15-13-17/h4-15H,1-3H3,(H,24,25,26)
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n/an/a 34n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals R&D

Curated by ChEMBL


Assay Description
Inhibition of K+ stimulated gastric ATPase activity


J Med Chem 38: 2763-73 (1995)


Article DOI: 10.1021/jm00014a027
BindingDB Entry DOI: 10.7270/Q2TT4Q0J
More data for this
Ligand-Target Pair
Potassium-transporting ATPase


(Sus scrofa (Pig))
BDBM50032112
PNG
(CHEMBL421746 | N*2*-(4-Fluoro-2-methyl-phenyl)-N*4...)
Show SMILES CN(c1ccccc1)c1nc(Nc2ccc(F)cc2C)nc2ccsc12
Show InChI InChI=1S/C20H17FN4S/c1-13-12-14(21)8-9-16(13)22-20-23-17-10-11-26-18(17)19(24-20)25(2)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,22,23,24)
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n/an/a 34n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals R&D

Curated by ChEMBL


Assay Description
Inhibition of K+ stimulated gastric ATPase activity


J Med Chem 38: 2763-73 (1995)


Article DOI: 10.1021/jm00014a027
BindingDB Entry DOI: 10.7270/Q2TT4Q0J
More data for this
Ligand-Target Pair
Potassium-transporting ATPase


(Sus scrofa (Pig))
BDBM50032131
PNG
(2-[4-(Methyl-phenyl-amino)-2-o-tolylamino-quinazol...)
Show SMILES CN(c1ccccc1)c1nc(Nc2ccccc2C)nc2c(OCCO)cccc12
Show InChI InChI=1S/C24H24N4O2/c1-17-9-6-7-13-20(17)25-24-26-22-19(12-8-14-21(22)30-16-15-29)23(27-24)28(2)18-10-4-3-5-11-18/h3-14,29H,15-16H2,1-2H3,(H,25,26,27)
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n/an/a 35n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals R&D

Curated by ChEMBL


Assay Description
Inhibition of K+ stimulated gastric ATPase activity


J Med Chem 38: 2763-73 (1995)


Article DOI: 10.1021/jm00014a027
BindingDB Entry DOI: 10.7270/Q2TT4Q0J
More data for this
Ligand-Target Pair
Potassium-transporting ATPase


(Sus scrofa (Pig))
BDBM50032152
PNG
(8-(3-Dimethylamino-propoxy)-N*2*-(4-fluoro-2-methy...)
Show SMILES CN(C)CCCOc1cccc2c(nc(Nc3ccc(F)cc3C)nc12)N(C)c1ccccc1
Show InChI InChI=1S/C27H30FN5O/c1-19-18-20(28)14-15-23(19)29-27-30-25-22(12-8-13-24(25)34-17-9-16-32(2)3)26(31-27)33(4)21-10-6-5-7-11-21/h5-8,10-15,18H,9,16-17H2,1-4H3,(H,29,30,31)
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n/an/a 36n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals R&D

Curated by ChEMBL


Assay Description
Inhibition of K+ stimulated gastric ATPase activity


J Med Chem 38: 2763-73 (1995)


Article DOI: 10.1021/jm00014a027
BindingDB Entry DOI: 10.7270/Q2TT4Q0J
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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n/an/a 36n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

US Patent


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...


US Patent US10308605 (2019)

More data for this
Ligand-Target Pair
Potassium-transporting ATPase


(Sus scrofa (Pig))
BDBM50031989
PNG
(1-[8-Hydroxymethyl-4-(4-hydroxy-2-methyl-phenylami...)
Show SMILES CC(C)C(=O)c1cnc2c(CO)cccc2c1Nc1ccc(O)cc1C
Show InChI InChI=1S/C21H22N2O3/c1-12(2)21(26)17-10-22-19-14(11-24)5-4-6-16(19)20(17)23-18-8-7-15(25)9-13(18)3/h4-10,12,24-25H,11H2,1-3H3,(H,22,23)
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n/an/a 36n/an/an/an/a7.0n/a



SmithKline Beecham Pharmaceuticals R&D

Curated by ChEMBL


Assay Description
Inhibition of K+ -stimulated gastric ATPase activity was measured using lyophilized gastric vesicles at pH 7


J Med Chem 38: 2748-62 (1995)


Article DOI: 10.1021/jm00014a026
BindingDB Entry DOI: 10.7270/Q2ZK5FPD
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/beta chain


(Homo sapiens (Human))
BDBM22893
PNG
(CHEMBL512 | Ranitidine | ZANTAC | dimethyl[(5-{[(2...)
Show SMILES CN\C([CH-][N+]([O-])=O)=[NH+]/CCSCc1ccc(CN(C)C)o1
Show InChI InChI=1S/C13H21N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9H,6-8,10H2,1-3H3,(H,14,15)/q-1/p+1
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n/an/a 40n/an/an/an/an/an/a



Ortho Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Antisecretory activity evaluated by the inhibition of 14C -AP uptake in isolated rabbit parietal cells stimulated by exogenous histamine


J Med Chem 31: 1778-85 (1988)


Article DOI: 10.1021/jm00117a018
BindingDB Entry DOI: 10.7270/Q20P10MZ
More data for this
Ligand-Target Pair
Potassium-transporting ATPase


(Sus scrofa (Pig))
BDBM50032125
PNG
(CHEMBL327983 | N*2*-(4-Chloro-2-methyl-phenyl)-N*4...)
Show SMILES CN(c1ccccc1)c1nc(Nc2ccc(Cl)cc2C)nc2ccccc12
Show InChI InChI=1S/C22H19ClN4/c1-15-14-16(23)12-13-19(15)24-22-25-20-11-7-6-10-18(20)21(26-22)27(2)17-8-4-3-5-9-17/h3-14H,1-2H3,(H,24,25,26)
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n/an/a 41n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals R&D

Curated by ChEMBL


Assay Description
Inhibition of K+ stimulated gastric ATPase activity


J Med Chem 38: 2763-73 (1995)


Article DOI: 10.1021/jm00014a027
BindingDB Entry DOI: 10.7270/Q2TT4Q0J
More data for this
Ligand-Target Pair
Potassium-transporting ATPase


(Sus scrofa (Pig))
BDBM50032096
PNG
(8-Methoxy-N*4*-methyl-N*4*-phenyl-N*2*-o-tolyl-qui...)
Show SMILES COc1cccc2c(nc(Nc3ccccc3C)nc12)N(C)c1ccccc1
Show InChI InChI=1S/C23H22N4O/c1-16-10-7-8-14-19(16)24-23-25-21-18(13-9-15-20(21)28-3)22(26-23)27(2)17-11-5-4-6-12-17/h4-15H,1-3H3,(H,24,25,26)
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n/an/a 42n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals R&D

Curated by ChEMBL


Assay Description
Inhibition of K+ stimulated gastric ATPase activity


J Med Chem 38: 2763-73 (1995)


Article DOI: 10.1021/jm00014a027
BindingDB Entry DOI: 10.7270/Q2TT4Q0J
More data for this
Ligand-Target Pair
Potassium-transporting ATPase


(Sus scrofa (Pig))
BDBM50032148
PNG
(CHEMBL329852 | N*4*-Methyl-N*2*,N*4*-di-o-tolyl-qu...)
Show SMILES CN(c1ccccc1C)c1nc(Nc2ccccc2C)nc2ccccc12
Show InChI InChI=1S/C23H22N4/c1-16-10-4-7-13-19(16)24-23-25-20-14-8-6-12-18(20)22(26-23)27(3)21-15-9-5-11-17(21)2/h4-15H,1-3H3,(H,24,25,26)
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n/an/a 46n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals R&D

Curated by ChEMBL


Assay Description
Inhibition of K+ stimulated gastric ATPase activity


J Med Chem 38: 2763-73 (1995)


Article DOI: 10.1021/jm00014a027
BindingDB Entry DOI: 10.7270/Q2TT4Q0J
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/beta chain


(Homo sapiens (Human))
BDBM50367783
PNG
(CHEMBL1202621)
Show SMILES C(COc1ccc(cc1)-c1csc(n1)-c1ccccc1)CN1CCCCC1
Show InChI InChI=1S/C23H26N2OS/c1-3-8-20(9-4-1)23-24-22(18-27-23)19-10-12-21(13-11-19)26-17-7-16-25-14-5-2-6-15-25/h1,3-4,8-13,18H,2,5-7,14-17H2
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n/an/a 50n/an/an/an/an/an/a



Ortho Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Antisecretory activity evaluated by the inhibition of 14C -AP uptake in isolated rabbit parietal cells stimulated by dibutyryl cyclic adenosine 3', 5...


J Med Chem 31: 1778-85 (1988)


Article DOI: 10.1021/jm00117a018
BindingDB Entry DOI: 10.7270/Q20P10MZ
More data for this
Ligand-Target Pair
Potassium-transporting ATPase


(Sus scrofa (Pig))
BDBM50032145
PNG
(CHEMBL91804 | N*2*-(4-Fluoro-2-methyl-phenyl)-N*4*...)
Show SMILES CN(c1ccccc1)c1nc(Nc2ccc(F)cc2C)nc2c(OCCCN3CCOCC3)cccc12
Show InChI InChI=1S/C29H32FN5O2/c1-21-20-22(30)12-13-25(21)31-29-32-27-24(28(33-29)34(2)23-8-4-3-5-9-23)10-6-11-26(27)37-17-7-14-35-15-18-36-19-16-35/h3-6,8-13,20H,7,14-19H2,1-2H3,(H,31,32,33)
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n/an/a 50n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals R&D

Curated by ChEMBL


Assay Description
Inhibition of K+ stimulated gastric ATPase activity


J Med Chem 38: 2763-73 (1995)


Article DOI: 10.1021/jm00014a027
BindingDB Entry DOI: 10.7270/Q2TT4Q0J
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/beta chain


(Homo sapiens (Human))
BDBM50367772
PNG
(CHEMBL1202647)
Show SMILES CCCCN(CCCC)CCCOc1ccc(\C=C\c2nc3ccc(OC)cc3o2)cc1
Show InChI InChI=1S/C27H36N2O3/c1-4-6-17-29(18-7-5-2)19-8-20-31-23-12-9-22(10-13-23)11-16-27-28-25-15-14-24(30-3)21-26(25)32-27/h9-16,21H,4-8,17-20H2,1-3H3/b16-11+
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n/an/a 50n/an/an/an/an/an/a



Ortho Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Antisecretory activity evaluated by the inhibition of 14C -AP uptake in isolated rabbit parietal cells stimulated by dibutyryl cyclic adenosine 3', 5...


J Med Chem 31: 1778-85 (1988)


Article DOI: 10.1021/jm00117a018
BindingDB Entry DOI: 10.7270/Q20P10MZ
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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n/an/a 51n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

US Patent


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...


US Patent US10308605 (2019)

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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n/an/a 51n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

US Patent


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...


US Patent US10308605 (2019)

More data for this
Ligand-Target Pair
Potassium-transporting ATPase


(Sus scrofa (Pig))
BDBM50032014
PNG
(1-[8-(1-Hydroxy-ethyl)-4-(4-hydroxy-2-methyl-pheny...)
Show SMILES CCCC(=O)c1cnc2c(cccc2c1Nc1ccc(O)cc1C)C(C)O
Show InChI InChI=1/C22H24N2O3/c1-4-6-20(27)18-12-23-21-16(14(3)25)7-5-8-17(21)22(18)24-19-10-9-15(26)11-13(19)2/h5,7-12,14,25-26H,4,6H2,1-3H3,(H,23,24)
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n/an/a 61n/an/an/an/a7.0n/a



SmithKline Beecham Pharmaceuticals R&D

Curated by ChEMBL


Assay Description
Inhibition of K+ -stimulated gastric ATPase activity was measured using lyophilized gastric vesicles at pH 7


J Med Chem 38: 2748-62 (1995)


Article DOI: 10.1021/jm00014a026
BindingDB Entry DOI: 10.7270/Q2ZK5FPD
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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n/an/a 62n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

US Patent


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...


US Patent US10308605 (2019)

More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/beta chain


(Homo sapiens (Human))
BDBM50008978
PNG
((+/-)-(2-Methyl-8-phenyl-7,8-dihydro-6H-9-oxa-1,3a...)
Show SMILES Cc1nc2c3OC(CCc3ccn2c1CC#N)c1ccccc1
Show InChI InChI=1/C19H17N3O/c1-13-16(9-11-20)22-12-10-15-7-8-17(14-5-3-2-4-6-14)23-18(15)19(22)21-13/h2-6,10,12,17H,7-9H2,1H3
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n/an/a 64n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of H+/K+ ATPase as reduced acid formation in rabbit gastric glands


J Med Chem 40: 427-36 (1997)


Article DOI: 10.1021/jm950700s
BindingDB Entry DOI: 10.7270/Q2BP01X4
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/beta chain


(Rattus norvegicus)
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 64n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals R&D

Curated by ChEMBL


Assay Description
Inhibition of rat isolated gastric(H+/K+)-ATPase.


J Med Chem 35: 1845-52 (1992)


Article DOI: 10.1021/jm00088a021
BindingDB Entry DOI: 10.7270/Q2SQ8ZB3
More data for this
Ligand-Target Pair
Potassium-transporting ATPase


(Sus scrofa (Pig))
BDBM50032149
PNG
(CHEMBL330222 | N*4*-Methyl-N*2*,N*4*-diphenyl-quin...)
Show SMILES CN(c1ccccc1)c1nc(Nc2ccccc2)nc2ccccc12
Show InChI InChI=1S/C21H18N4/c1-25(17-12-6-3-7-13-17)20-18-14-8-9-15-19(18)23-21(24-20)22-16-10-4-2-5-11-16/h2-15H,1H3,(H,22,23,24)
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n/an/a 65n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals R&D

Curated by ChEMBL


Assay Description
Inhibition of K+ stimulated gastric ATPase activity


J Med Chem 38: 2763-73 (1995)


Article DOI: 10.1021/jm00014a027
BindingDB Entry DOI: 10.7270/Q2TT4Q0J
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/beta chain


(Homo sapiens (Human))
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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n/an/a 65n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of H+/K+ ATPase as reduced acid formation in rabbit gastric glands


J Med Chem 40: 427-36 (1997)


Article DOI: 10.1021/jm950700s
BindingDB Entry DOI: 10.7270/Q2BP01X4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Potassium-transporting ATPase


(Sus scrofa (Pig))
BDBM50032094
PNG
(CHEMBL92968 | N*2*,N*4*-Dimethyl-N*2*,N*4*-dipheny...)
Show SMILES CN(c1ccccc1)c1nc(N(C)c2ccccc2)c2ccccc2n1
Show InChI InChI=1S/C22H20N4/c1-25(17-11-5-3-6-12-17)21-19-15-9-10-16-20(19)23-22(24-21)26(2)18-13-7-4-8-14-18/h3-16H,1-2H3
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n/an/a 67n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals R&D

Curated by ChEMBL


Assay Description
Inhibition of K+ stimulated gastric ATPase activity


J Med Chem 38: 2763-73 (1995)


Article DOI: 10.1021/jm00014a027
BindingDB Entry DOI: 10.7270/Q2TT4Q0J
More data for this
Ligand-Target Pair
Potassium-transporting ATPase


(Sus scrofa (Pig))
BDBM50032000
PNG
(1-[6-Hydroxy-4-(4-hydroxy-2-methyl-phenylamino)-qu...)
Show SMILES CCCC(=O)c1cnc2ccc(O)cc2c1Nc1ccc(O)cc1C
Show InChI InChI=1S/C20H20N2O3/c1-3-4-19(25)16-11-21-18-8-6-14(24)10-15(18)20(16)22-17-7-5-13(23)9-12(17)2/h5-11,23-24H,3-4H2,1-2H3,(H,21,22)
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n/an/a 71n/an/an/an/a7.0n/a



SmithKline Beecham Pharmaceuticals R&D

Curated by ChEMBL


Assay Description
Inhibition of K+ -stimulated gastric ATPase activity was measured using lyophilized gastric vesicles at pH 7


J Med Chem 38: 2748-62 (1995)


Article DOI: 10.1021/jm00014a026
BindingDB Entry DOI: 10.7270/Q2ZK5FPD
More data for this
Ligand-Target Pair
Potassium-transporting ATPase


(Sus scrofa (Pig))
BDBM50032129
PNG
(8-Methoxy-N*2*,N*4*-dimethyl-N*2*,N*4*-diphenyl-qu...)
Show SMILES COc1cccc2c(nc(nc12)N(C)c1ccccc1)N(C)c1ccccc1
Show InChI InChI=1S/C23H22N4O/c1-26(17-11-6-4-7-12-17)22-19-15-10-16-20(28-3)21(19)24-23(25-22)27(2)18-13-8-5-9-14-18/h4-16H,1-3H3
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n/an/a 74n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals R&D

Curated by ChEMBL


Assay Description
Inhibition of K+ stimulated gastric ATPase activity


J Med Chem 38: 2763-73 (1995)


Article DOI: 10.1021/jm00014a027
BindingDB Entry DOI: 10.7270/Q2TT4Q0J
More data for this
Ligand-Target Pair
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