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PubMed code 2836591

Compile data set for download or QSAR
Found 44 hits of Enzyme Inhibition Constant Data   
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 alpha chain 1/beta chain


(Homo sapiens)
BDBM50018887
PNG
(2-(1H-Benzoimidazole-2-sulfinylmethyl)-4-methoxy-3...)
Show SMILES COc1c(C)cc(N)c(CS(=O)c2nc3ccccc3[nH]2)c1C
Show InChI InChI=1S/C17H19N3O2S/c1-10-8-13(18)12(11(2)16(10)22-3)9-23(21)17-19-14-6-4-5-7-15(14)20-17/h4-8H,9,18H2,1-3H3,(H,19,20)
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n/an/a 200n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against H+/K+ ATPase prepared from canine fundic mucosa


J Med Chem 31: 1215-20 (1988)


Article DOI: 10.1021/jm00401a024
BindingDB Entry DOI: 10.7270/Q2QR4W3B
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/beta chain


(Homo sapiens)
BDBM50018890
PNG
(CHEMBL282226 | [2-(1H-Benzoimidazole-2-sulfinylmet...)
Show SMILES CNc1ccccc1CS(=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C15H15N3OS/c1-16-12-7-3-2-6-11(12)10-20(19)15-17-13-8-4-5-9-14(13)18-15/h2-9,16H,10H2,1H3,(H,17,18)
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n/an/a 600n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against H+/K+ ATPase prepared from canine fundic mucosa


J Med Chem 31: 1215-20 (1988)


Article DOI: 10.1021/jm00401a024
BindingDB Entry DOI: 10.7270/Q2QR4W3B
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/beta chain


(Homo sapiens)
BDBM50018881
PNG
(6-(1H-Benzoimidazole-2-sulfinylmethyl)-2,3-dimethy...)
Show SMILES Cc1ccc(CS(=O)c2nc3ccccc3[nH]2)c(N)c1C
Show InChI InChI=1S/C16H17N3OS/c1-10-7-8-12(15(17)11(10)2)9-21(20)16-18-13-5-3-4-6-14(13)19-16/h3-8H,9,17H2,1-2H3,(H,18,19)
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n/an/a 600n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against H+/K+ ATPase prepared from canine fundic mucosa


J Med Chem 31: 1215-20 (1988)


Article DOI: 10.1021/jm00401a024
BindingDB Entry DOI: 10.7270/Q2QR4W3B
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/beta chain


(Homo sapiens)
BDBM50018871
PNG
(2,3-Dimethyl-6-(5-methyl-1H-benzoimidazole-2-sulfi...)
Show SMILES Cc1ccc2nc([nH]c2c1)S(=O)Cc1ccc(C)c(C)c1N
Show InChI InChI=1S/C17H19N3OS/c1-10-4-7-14-15(8-10)20-17(19-14)22(21)9-13-6-5-11(2)12(3)16(13)18/h4-8H,9,18H2,1-3H3,(H,19,20)
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n/an/a 700n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against H+/K+ ATPase prepared from canine fundic mucosa


J Med Chem 31: 1215-20 (1988)


Article DOI: 10.1021/jm00401a024
BindingDB Entry DOI: 10.7270/Q2QR4W3B
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/beta chain


(Homo sapiens)
BDBM50018856
PNG
(2-(1H-Benzoimidazole-2-sulfinylmethyl)-3-methyl-ph...)
Show SMILES Cc1cccc(N)c1CS(=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C15H15N3OS/c1-10-5-4-6-12(16)11(10)9-20(19)15-17-13-7-2-3-8-14(13)18-15/h2-8H,9,16H2,1H3,(H,17,18)
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n/an/a 700n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against H+/K+ ATPase prepared from canine fundic mucosa


J Med Chem 31: 1215-20 (1988)


Article DOI: 10.1021/jm00401a024
BindingDB Entry DOI: 10.7270/Q2QR4W3B
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/beta chain


(Homo sapiens)
BDBM50018876
PNG
(CHEMBL19577 | [2-(1H-Benzoimidazole-2-sulfinylmeth...)
Show SMILES CN(C)c1ccccc1CS(=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C16H17N3OS/c1-19(2)15-10-6-3-7-12(15)11-21(20)16-17-13-8-4-5-9-14(13)18-16/h3-10H,11H2,1-2H3,(H,17,18)
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n/an/a 700n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against H+/K+ ATPase prepared from canine fundic mucosa


J Med Chem 31: 1215-20 (1988)


Article DOI: 10.1021/jm00401a024
BindingDB Entry DOI: 10.7270/Q2QR4W3B
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/beta chain


(Homo sapiens)
BDBM50018889
PNG
(2-(1H-Benzoimidazole-2-sulfinylmethyl)-3,6-dimethy...)
Show SMILES Cc1ccc(C)c(CS(=O)c2nc3ccccc3[nH]2)c1N
Show InChI InChI=1S/C16H17N3OS/c1-10-7-8-11(2)15(17)12(10)9-21(20)16-18-13-5-3-4-6-14(13)19-16/h3-8H,9,17H2,1-2H3,(H,18,19)
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n/an/a 800n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against H+/K+ ATPase prepared from canine fundic mucosa


J Med Chem 31: 1215-20 (1988)


Article DOI: 10.1021/jm00401a024
BindingDB Entry DOI: 10.7270/Q2QR4W3B
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/beta chain


(Homo sapiens)
BDBM50018892
PNG
(2-(1H-Benzoimidazole-2-sulfinylmethyl)-4,6-dimethy...)
Show SMILES Cc1cc(C)c(N)c(CS(=O)c2nc3ccccc3[nH]2)c1
Show InChI InChI=1S/C16H17N3OS/c1-10-7-11(2)15(17)12(8-10)9-21(20)16-18-13-5-3-4-6-14(13)19-16/h3-8H,9,17H2,1-2H3,(H,18,19)
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n/an/a 800n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against H+/K+ ATPase prepared from canine fundic mucosa


J Med Chem 31: 1215-20 (1988)


Article DOI: 10.1021/jm00401a024
BindingDB Entry DOI: 10.7270/Q2QR4W3B
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/beta chain


(Homo sapiens)
BDBM50018891
PNG
(3,6-Dimethyl-2-(5-trifluoromethyl-1H-benzoimidazol...)
Show SMILES Cc1ccc(C)c(CS(=O)c2nc3ccc(cc3[nH]2)C(F)(F)F)c1N
Show InChI InChI=1S/C17H16F3N3OS/c1-9-3-4-10(2)15(21)12(9)8-25(24)16-22-13-6-5-11(17(18,19)20)7-14(13)23-16/h3-7H,8,21H2,1-2H3,(H,22,23)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against H+/K+ ATPase prepared from canine fundic mucosa


J Med Chem 31: 1215-20 (1988)


Article DOI: 10.1021/jm00401a024
BindingDB Entry DOI: 10.7270/Q2QR4W3B
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/beta chain


(Homo sapiens)
BDBM50018852
PNG
(2-(1H-Benzoimidazole-2-sulfinylmethyl)-4-methoxy-p...)
Show SMILES COc1ccc(N)c(CS(=O)c2nc3ccccc3[nH]2)c1
Show InChI InChI=1S/C15H15N3O2S/c1-20-11-6-7-12(16)10(8-11)9-21(19)15-17-13-4-2-3-5-14(13)18-15/h2-8H,9,16H2,1H3,(H,17,18)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against H+/K+ ATPase prepared from canine fundic mucosa


J Med Chem 31: 1215-20 (1988)


Article DOI: 10.1021/jm00401a024
BindingDB Entry DOI: 10.7270/Q2QR4W3B
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/beta chain


(Homo sapiens)
BDBM50018883
PNG
(2-(1H-Benzoimidazole-2-sulfinylmethyl)-4-ethyl-phe...)
Show SMILES CCc1ccc(N)c(CS(=O)c2nc3ccccc3[nH]2)c1
Show InChI InChI=1S/C16H17N3OS/c1-2-11-7-8-13(17)12(9-11)10-21(20)16-18-14-5-3-4-6-15(14)19-16/h3-9H,2,10,17H2,1H3,(H,18,19)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against H+/K+ ATPase prepared from canine fundic mucosa


J Med Chem 31: 1215-20 (1988)


Article DOI: 10.1021/jm00401a024
BindingDB Entry DOI: 10.7270/Q2QR4W3B
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/beta chain


(Homo sapiens)
BDBM50241343
PNG
((RS)-6-methoxy-2-((4-methoxy-3,5-dimethylpyridin-2...)
Show SMILES COc1ccc2nc([nH]c2c1)S(=O)Cc1ncc(C)c(OC)c1C
Show InChI InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against H+/K+ ATPase prepared from canine fundic mucosa


J Med Chem 31: 1215-20 (1988)


Article DOI: 10.1021/jm00401a024
BindingDB Entry DOI: 10.7270/Q2QR4W3B
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/beta chain


(Homo sapiens)
BDBM50018859
PNG
(4-Methoxy-2-(5-methoxy-1H-benzoimidazole-2-sulfiny...)
Show SMILES COc1ccc2nc([nH]c2c1)S(=O)Cc1c(N)cc(C)c(OC)c1C
Show InChI InChI=1S/C18H21N3O3S/c1-10-7-14(19)13(11(2)17(10)24-4)9-25(22)18-20-15-6-5-12(23-3)8-16(15)21-18/h5-8H,9,19H2,1-4H3,(H,20,21)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against H+/K+ ATPase prepared from canine fundic mucosa


J Med Chem 31: 1215-20 (1988)


Article DOI: 10.1021/jm00401a024
BindingDB Entry DOI: 10.7270/Q2QR4W3B
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/beta chain


(Homo sapiens)
BDBM50018880
PNG
(2-(1H-Benzoimidazole-2-sulfinylmethyl)-4-methyl-ph...)
Show SMILES Cc1ccc(N)c(CS(=O)c2nc3ccccc3[nH]2)c1
Show InChI InChI=1S/C15H15N3OS/c1-10-6-7-12(16)11(8-10)9-20(19)15-17-13-4-2-3-5-14(13)18-15/h2-8H,9,16H2,1H3,(H,17,18)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against H+/K+ ATPase prepared from canine fundic mucosa


J Med Chem 31: 1215-20 (1988)


Article DOI: 10.1021/jm00401a024
BindingDB Entry DOI: 10.7270/Q2QR4W3B
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/beta chain


(Homo sapiens)
BDBM50018870
PNG
(2-(1H-Benzoimidazole-2-sulfinylmethyl)-4-butyl-phe...)
Show SMILES CCCCc1ccc(N)c(CS(=O)c2nc3ccccc3[nH]2)c1
Show InChI InChI=1S/C18H21N3OS/c1-2-3-6-13-9-10-15(19)14(11-13)12-23(22)18-20-16-7-4-5-8-17(16)21-18/h4-5,7-11H,2-3,6,12,19H2,1H3,(H,20,21)
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n/an/a 2.60E+3n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against H+/K+ ATPase prepared from canine fundic mucosa


J Med Chem 31: 1215-20 (1988)


Article DOI: 10.1021/jm00401a024
BindingDB Entry DOI: 10.7270/Q2QR4W3B
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/beta chain


(Homo sapiens)
BDBM50018868
PNG
(2-(1H-Benzoimidazole-2-sulfinylmethyl)-4-chloro-6-...)
Show SMILES COc1cc(Cl)c(C)c(CS(=O)c2nc3ccccc3[nH]2)c1N
Show InChI InChI=1S/C16H16ClN3O2S/c1-9-10(15(18)14(22-2)7-11(9)17)8-23(21)16-19-12-5-3-4-6-13(12)20-16/h3-7H,8,18H2,1-2H3,(H,19,20)
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n/an/a 2.70E+3n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against H+/K+ ATPase prepared from canine fundic mucosa


J Med Chem 31: 1215-20 (1988)


Article DOI: 10.1021/jm00401a024
BindingDB Entry DOI: 10.7270/Q2QR4W3B
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/beta chain


(Homo sapiens)
BDBM50018861
PNG
(2-(1H-Benzoimidazole-2-sulfinylmethyl)-6-methyl-ph...)
Show SMILES Cc1cccc(CS(=O)c2nc3ccccc3[nH]2)c1N
Show InChI InChI=1S/C15H15N3OS/c1-10-5-4-6-11(14(10)16)9-20(19)15-17-12-7-2-3-8-13(12)18-15/h2-8H,9,16H2,1H3,(H,17,18)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against H+/K+ ATPase prepared from canine fundic mucosa


J Med Chem 31: 1215-20 (1988)


Article DOI: 10.1021/jm00401a024
BindingDB Entry DOI: 10.7270/Q2QR4W3B
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/beta chain


(Homo sapiens)
BDBM50018855
PNG
(2-(1H-Benzoimidazole-2-sulfinylmethyl)-6-ethyl-phe...)
Show SMILES CCc1cccc(CS(=O)c2nc3ccccc3[nH]2)c1N
Show InChI InChI=1S/C16H17N3OS/c1-2-11-6-5-7-12(15(11)17)10-21(20)16-18-13-8-3-4-9-14(13)19-16/h3-9H,2,10,17H2,1H3,(H,18,19)
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n/an/a 3.90E+3n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against H+/K+ ATPase prepared from canine fundic mucosa


J Med Chem 31: 1215-20 (1988)


Article DOI: 10.1021/jm00401a024
BindingDB Entry DOI: 10.7270/Q2QR4W3B
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/beta chain


(Homo sapiens)
BDBM50018893
PNG
(2-(5-Methoxy-1H-benzoimidazole-2-sulfinylmethyl)-4...)
Show SMILES COc1ccc2nc([nH]c2c1)S(=O)Cc1cc(C)ccc1N
Show InChI InChI=1S/C16H17N3O2S/c1-10-3-5-13(17)11(7-10)9-22(20)16-18-14-6-4-12(21-2)8-15(14)19-16/h3-8H,9,17H2,1-2H3,(H,18,19)
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n/an/a 4.20E+3n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against H+/K+ ATPase prepared from canine fundic mucosa


J Med Chem 31: 1215-20 (1988)


Article DOI: 10.1021/jm00401a024
BindingDB Entry DOI: 10.7270/Q2QR4W3B
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/beta chain


(Homo sapiens)
BDBM50018873
PNG
(2-(1H-Benzoimidazole-2-sulfinylmethyl)-phenylamine...)
Show SMILES Nc1ccccc1CS(=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C14H13N3OS/c15-11-6-2-1-5-10(11)9-19(18)14-16-12-7-3-4-8-13(12)17-14/h1-8H,9,15H2,(H,16,17)
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n/an/a 4.30E+3n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against H+/K+ ATPase prepared from canine fundic mucosa


J Med Chem 31: 1215-20 (1988)


Article DOI: 10.1021/jm00401a024
BindingDB Entry DOI: 10.7270/Q2QR4W3B
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/beta chain


(Homo sapiens)
BDBM50018877
PNG
(2-(5-Trifluoromethyl-1H-benzoimidazole-2-sulfinylm...)
Show SMILES Nc1ccccc1CS(=O)c1nc2ccc(cc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C15H12F3N3OS/c16-15(17,18)10-5-6-12-13(7-10)21-14(20-12)23(22)8-9-3-1-2-4-11(9)19/h1-7H,8,19H2,(H,20,21)
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n/an/a 4.40E+3n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against H+/K+ ATPase prepared from canine fundic mucosa


J Med Chem 31: 1215-20 (1988)


Article DOI: 10.1021/jm00401a024
BindingDB Entry DOI: 10.7270/Q2QR4W3B
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/beta chain


(Homo sapiens)
BDBM50018851
PNG
(2-(5-Ethoxy-1H-benzoimidazole-2-sulfinylmethyl)-4-...)
Show SMILES CCOc1ccc2nc([nH]c2c1)S(=O)Cc1cc(C)ccc1N
Show InChI InChI=1S/C17H19N3O2S/c1-3-22-13-5-7-15-16(9-13)20-17(19-15)23(21)10-12-8-11(2)4-6-14(12)18/h4-9H,3,10,18H2,1-2H3,(H,19,20)
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n/an/a 5.30E+3n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against H+/K+ ATPase prepared from canine fundic mucosa


J Med Chem 31: 1215-20 (1988)


Article DOI: 10.1021/jm00401a024
BindingDB Entry DOI: 10.7270/Q2QR4W3B
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/beta chain


(Homo sapiens)
BDBM50018885
PNG
(2-(5-Methoxy-1H-benzoimidazole-2-sulfinylmethyl)-6...)
Show SMILES COc1ccc2nc([nH]c2c1)S(=O)Cc1cccc(C)c1N
Show InChI InChI=1S/C16H17N3O2S/c1-10-4-3-5-11(15(10)17)9-22(20)16-18-13-7-6-12(21-2)8-14(13)19-16/h3-8H,9,17H2,1-2H3,(H,18,19)
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n/an/a 5.40E+3n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against H+/K+ ATPase prepared from canine fundic mucosa


J Med Chem 31: 1215-20 (1988)


Article DOI: 10.1021/jm00401a024
BindingDB Entry DOI: 10.7270/Q2QR4W3B
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/beta chain


(Homo sapiens)
BDBM50018878
PNG
(6-(1H-Benzoimidazole-2-sulfinylmethyl)-3-chloro-2-...)
Show SMILES Cc1c(Cl)ccc(CS(=O)c2nc3ccccc3[nH]2)c1N
Show InChI InChI=1S/C15H14ClN3OS/c1-9-11(16)7-6-10(14(9)17)8-21(20)15-18-12-4-2-3-5-13(12)19-15/h2-7H,8,17H2,1H3,(H,18,19)
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n/an/a 6.40E+3n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against H+/K+ ATPase prepared from canine fundic mucosa


J Med Chem 31: 1215-20 (1988)


Article DOI: 10.1021/jm00401a024
BindingDB Entry DOI: 10.7270/Q2QR4W3B
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/beta chain


(Homo sapiens)
BDBM50018882
PNG
(2-(4-Methyl-1H-benzoimidazole-2-sulfinylmethyl)-ph...)
Show SMILES Cc1cccc2[nH]c(nc12)S(=O)Cc1ccccc1N
Show InChI InChI=1S/C15H15N3OS/c1-10-5-4-8-13-14(10)18-15(17-13)20(19)9-11-6-2-3-7-12(11)16/h2-8H,9,16H2,1H3,(H,17,18)
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n/an/a 7.40E+3n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against H+/K+ ATPase prepared from canine fundic mucosa


J Med Chem 31: 1215-20 (1988)


Article DOI: 10.1021/jm00401a024
BindingDB Entry DOI: 10.7270/Q2QR4W3B
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/beta chain


(Homo sapiens)
BDBM50018884
PNG
(2-(5-Methyl-1H-benzoimidazole-2-sulfinylmethyl)-ph...)
Show SMILES Cc1ccc2nc([nH]c2c1)S(=O)Cc1ccccc1N
Show InChI InChI=1S/C15H15N3OS/c1-10-6-7-13-14(8-10)18-15(17-13)20(19)9-11-4-2-3-5-12(11)16/h2-8H,9,16H2,1H3,(H,17,18)
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n/an/a 7.90E+3n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against H+/K+ ATPase prepared from canine fundic mucosa


J Med Chem 31: 1215-20 (1988)


Article DOI: 10.1021/jm00401a024
BindingDB Entry DOI: 10.7270/Q2QR4W3B
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/beta chain


(Homo sapiens)
BDBM50018867
PNG
(2-Methoxy-6-(5-trifluoromethyl-1H-benzoimidazole-2...)
Show SMILES COc1cccc(CS(=O)c2nc3ccc(cc3[nH]2)C(F)(F)F)c1N
Show InChI InChI=1S/C16H14F3N3O2S/c1-24-13-4-2-3-9(14(13)20)8-25(23)15-21-11-6-5-10(16(17,18)19)7-12(11)22-15/h2-7H,8,20H2,1H3,(H,21,22)
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n/an/a 8.50E+3n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against H+/K+ ATPase prepared from canine fundic mucosa


J Med Chem 31: 1215-20 (1988)


Article DOI: 10.1021/jm00401a024
BindingDB Entry DOI: 10.7270/Q2QR4W3B
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/beta chain


(Homo sapiens)
BDBM50018886
PNG
(2-(1H-Benzoimidazole-2-sulfinylmethyl)-6-methoxy-p...)
Show SMILES COc1cccc(CS(=O)c2nc3ccccc3[nH]2)c1N
Show InChI InChI=1S/C15H15N3O2S/c1-20-13-8-4-5-10(14(13)16)9-21(19)15-17-11-6-2-3-7-12(11)18-15/h2-8H,9,16H2,1H3,(H,17,18)
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n/an/a 9.30E+3n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against H+/K+ ATPase prepared from canine fundic mucosa


J Med Chem 31: 1215-20 (1988)


Article DOI: 10.1021/jm00401a024
BindingDB Entry DOI: 10.7270/Q2QR4W3B
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/beta chain


(Homo sapiens)
BDBM50018874
PNG
(2-(5-Methoxy-1H-benzoimidazole-2-sulfinylmethyl)-p...)
Show SMILES COc1ccc2nc([nH]c2c1)S(=O)Cc1ccccc1N
Show InChI InChI=1S/C15H15N3O2S/c1-20-11-6-7-13-14(8-11)18-15(17-13)21(19)9-10-4-2-3-5-12(10)16/h2-8H,9,16H2,1H3,(H,17,18)
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n/an/a 1.10E+4n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against H+/K+ ATPase prepared from canine fundic mucosa


J Med Chem 31: 1215-20 (1988)


Article DOI: 10.1021/jm00401a024
BindingDB Entry DOI: 10.7270/Q2QR4W3B
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/beta chain


(Homo sapiens)
BDBM50018866
PNG
(2-(5-Chloro-1H-benzoimidazole-2-sulfinylmethyl)-ph...)
Show SMILES Nc1ccccc1CS(=O)c1nc2ccc(Cl)cc2[nH]1
Show InChI InChI=1S/C14H12ClN3OS/c15-10-5-6-12-13(7-10)18-14(17-12)20(19)8-9-3-1-2-4-11(9)16/h1-7H,8,16H2,(H,17,18)
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n/an/a 1.20E+4n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against H+/K+ ATPase prepared from canine fundic mucosa


J Med Chem 31: 1215-20 (1988)


Article DOI: 10.1021/jm00401a024
BindingDB Entry DOI: 10.7270/Q2QR4W3B
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/beta chain


(Homo sapiens)
BDBM50018857
PNG
(2-(5,6-Dimethyl-1H-benzoimidazole-2-sulfinylmethyl...)
Show SMILES Cc1cc2nc([nH]c2cc1C)S(=O)Cc1ccccc1N
Show InChI InChI=1S/C16H17N3OS/c1-10-7-14-15(8-11(10)2)19-16(18-14)21(20)9-12-5-3-4-6-13(12)17/h3-8H,9,17H2,1-2H3,(H,18,19)
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n/an/a 1.35E+4n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against H+/K+ ATPase prepared from canine fundic mucosa


J Med Chem 31: 1215-20 (1988)


Article DOI: 10.1021/jm00401a024
BindingDB Entry DOI: 10.7270/Q2QR4W3B
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/beta chain


(Homo sapiens)
BDBM50018863
PNG
(2-(1H-Benzoimidazole-2-sulfinylmethyl)-3,4,5-trime...)
Show SMILES Cc1cc(N)c(CS(=O)c2nc3ccccc3[nH]2)c(C)c1C
Show InChI InChI=1S/C17H19N3OS/c1-10-8-14(18)13(12(3)11(10)2)9-22(21)17-19-15-6-4-5-7-16(15)20-17/h4-8H,9,18H2,1-3H3,(H,19,20)
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n/an/a 1.60E+4n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against H+/K+ ATPase prepared from canine fundic mucosa


J Med Chem 31: 1215-20 (1988)


Article DOI: 10.1021/jm00401a024
BindingDB Entry DOI: 10.7270/Q2QR4W3B
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/beta chain


(Homo sapiens)
BDBM50018864
PNG
(2-(5-Ethoxy-1H-benzoimidazole-2-sulfinylmethyl)-ph...)
Show SMILES CCOc1ccc2nc([nH]c2c1)S(=O)Cc1ccccc1N
Show InChI InChI=1S/C16H17N3O2S/c1-2-21-12-7-8-14-15(9-12)19-16(18-14)22(20)10-11-5-3-4-6-13(11)17/h3-9H,2,10,17H2,1H3,(H,18,19)
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n/an/a 2.40E+4n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against H+/K+ ATPase prepared from canine fundic mucosa


J Med Chem 31: 1215-20 (1988)


Article DOI: 10.1021/jm00401a024
BindingDB Entry DOI: 10.7270/Q2QR4W3B
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/beta chain


(Homo sapiens)
BDBM50018860
PNG
(2-(1H-Benzoimidazole-2-sulfinylmethyl)-5-chloro-ph...)
Show SMILES Nc1cc(Cl)ccc1CS(=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C14H12ClN3OS/c15-10-6-5-9(11(16)7-10)8-20(19)14-17-12-3-1-2-4-13(12)18-14/h1-7H,8,16H2,(H,17,18)
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n/an/a 2.40E+4n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against H+/K+ ATPase prepared from canine fundic mucosa


J Med Chem 31: 1215-20 (1988)


Article DOI: 10.1021/jm00401a024
BindingDB Entry DOI: 10.7270/Q2QR4W3B
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/beta chain


(Homo sapiens)
BDBM50018865
PNG
(2-(1H-Benzoimidazole-2-sulfinylmethyl)-4-fluoro-ph...)
Show SMILES Nc1ccc(F)cc1CS(=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C14H12FN3OS/c15-10-5-6-11(16)9(7-10)8-20(19)14-17-12-3-1-2-4-13(12)18-14/h1-7H,8,16H2,(H,17,18)
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n/an/a 2.50E+4n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against H+/K+ ATPase prepared from canine fundic mucosa


J Med Chem 31: 1215-20 (1988)


Article DOI: 10.1021/jm00401a024
BindingDB Entry DOI: 10.7270/Q2QR4W3B
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/beta chain


(Homo sapiens)
BDBM50018872
PNG
(2-(1H-Benzoimidazole-2-sulfinylmethyl)-4-chloro-6-...)
Show SMILES Cc1cc(Cl)cc(CS(=O)c2nc3ccccc3[nH]2)c1N
Show InChI InChI=1S/C15H14ClN3OS/c1-9-6-11(16)7-10(14(9)17)8-21(20)15-18-12-4-2-3-5-13(12)19-15/h2-7H,8,17H2,1H3,(H,18,19)
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n/an/a 6.00E+4n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against H+/K+ ATPase prepared from canine fundic mucosa


J Med Chem 31: 1215-20 (1988)


Article DOI: 10.1021/jm00401a024
BindingDB Entry DOI: 10.7270/Q2QR4W3B
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/beta chain


(Homo sapiens)
BDBM50018879
PNG
(4-Amino-3-(1H-benzoimidazole-2-sulfinylmethyl)-ben...)
Show SMILES CCOC(=O)c1ccc(N)c(CS(=O)c2nc3ccccc3[nH]2)c1
Show InChI InChI=1S/C17H17N3O3S/c1-2-23-16(21)11-7-8-13(18)12(9-11)10-24(22)17-19-14-5-3-4-6-15(14)20-17/h3-9H,2,10,18H2,1H3,(H,19,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against H+/K+ ATPase prepared from canine fundic mucosa


J Med Chem 31: 1215-20 (1988)


Article DOI: 10.1021/jm00401a024
BindingDB Entry DOI: 10.7270/Q2QR4W3B
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/beta chain


(Homo sapiens)
BDBM50018875
PNG
(4-Amino-3-(5-methoxy-1H-benzoimidazole-2-sulfinylm...)
Show SMILES CCOC(=O)c1ccc(N)c(CS(=O)c2nc3ccc(OC)cc3[nH]2)c1
Show InChI InChI=1S/C18H19N3O4S/c1-3-25-17(22)11-4-6-14(19)12(8-11)10-26(23)18-20-15-7-5-13(24-2)9-16(15)21-18/h4-9H,3,10,19H2,1-2H3,(H,20,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against H+/K+ ATPase prepared from canine fundic mucosa


J Med Chem 31: 1215-20 (1988)


Article DOI: 10.1021/jm00401a024
BindingDB Entry DOI: 10.7270/Q2QR4W3B
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/beta chain


(Homo sapiens)
BDBM50018862
PNG
(2-(1H-Benzoimidazole-2-sulfinylmethyl)-4-chloro-ph...)
Show SMILES Nc1ccc(Cl)cc1CS(=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C14H12ClN3OS/c15-10-5-6-11(16)9(7-10)8-20(19)14-17-12-3-1-2-4-13(12)18-14/h1-7H,8,16H2,(H,17,18)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against H+/K+ ATPase prepared from canine fundic mucosa


J Med Chem 31: 1215-20 (1988)


Article DOI: 10.1021/jm00401a024
BindingDB Entry DOI: 10.7270/Q2QR4W3B
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/beta chain


(Homo sapiens)
BDBM50018858
PNG
(2-(1H-Benzoimidazole-2-sulfinylmethyl)-4-trifluoro...)
Show SMILES Nc1ccc(cc1CS(=O)c1nc2ccccc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C15H12F3N3OS/c16-15(17,18)10-5-6-11(19)9(7-10)8-23(22)14-20-12-3-1-2-4-13(12)21-14/h1-7H,8,19H2,(H,20,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against H+/K+ ATPase prepared from canine fundic mucosa


J Med Chem 31: 1215-20 (1988)


Article DOI: 10.1021/jm00401a024
BindingDB Entry DOI: 10.7270/Q2QR4W3B
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/beta chain


(Homo sapiens)
BDBM50018869
PNG
(2-Amino-3-(1H-benzoimidazole-2-sulfinylmethyl)-ben...)
Show SMILES COC(=O)c1cccc(CS(=O)c2nc3ccccc3[nH]2)c1N
Show InChI InChI=1S/C16H15N3O3S/c1-22-15(20)11-6-4-5-10(14(11)17)9-23(21)16-18-12-7-2-3-8-13(12)19-16/h2-8H,9,17H2,1H3,(H,18,19)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against H+/K+ ATPase prepared from canine fundic mucosa


J Med Chem 31: 1215-20 (1988)


Article DOI: 10.1021/jm00401a024
BindingDB Entry DOI: 10.7270/Q2QR4W3B
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/beta chain


(Homo sapiens)
BDBM50018853
PNG
(CHEMBL20098 | N-[2-(1H-Benzoimidazole-2-sulfinylme...)
Show SMILES CC(=O)Nc1ccccc1CS(=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C16H15N3O2S/c1-11(20)17-13-7-3-2-6-12(13)10-22(21)16-18-14-8-4-5-9-15(14)19-16/h2-9H,10H2,1H3,(H,17,20)(H,18,19)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against H+/K+ ATPase prepared from canine fundic mucosa


J Med Chem 31: 1215-20 (1988)


Article DOI: 10.1021/jm00401a024
BindingDB Entry DOI: 10.7270/Q2QR4W3B
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/beta chain


(Homo sapiens)
BDBM50018888
PNG
(2-(5,6-Dimethoxy-1H-benzoimidazole-2-sulfinylmethy...)
Show SMILES COc1cc2nc([nH]c2cc1OC)S(=O)Cc1ccccc1N
Show InChI InChI=1S/C16H17N3O3S/c1-21-14-7-12-13(8-15(14)22-2)19-16(18-12)23(20)9-10-5-3-4-6-11(10)17/h3-8H,9,17H2,1-2H3,(H,18,19)
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Article
PubMed
n/an/a 1.20E+5n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against H+/K+ ATPase prepared from canine fundic mucosa


J Med Chem 31: 1215-20 (1988)


Article DOI: 10.1021/jm00401a024
BindingDB Entry DOI: 10.7270/Q2QR4W3B
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/beta chain


(Homo sapiens)
BDBM50018854
PNG
(2-(Pyridin-2-ylmethanesulfinyl)-1H-benzoimidazole ...)
Show SMILES O=S(Cc1ccccn1)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C13H11N3OS/c17-18(9-10-5-3-4-8-14-10)13-15-11-6-1-2-7-12(11)16-13/h1-8H,9H2,(H,15,16)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.30E+5n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against H+/K+ ATPase prepared from canine fundic mucosa


J Med Chem 31: 1215-20 (1988)


Article DOI: 10.1021/jm00401a024
BindingDB Entry DOI: 10.7270/Q2QR4W3B
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%