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PubMed code 1316968

Compile data set for download or QSAR
Found 21 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


(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.


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


(Rattus norvegicus)
BDBM50000668
PNG
(2-(6-Methyl-1-o-tolyl-1H-pyrrolo[3,2-c]quinolin-4-...)
Show SMILES Cc1ccccc1-n1ccc2c(NCCO)nc3c(C)cccc3c12
Show InChI InChI=1S/C21H21N3O/c1-14-6-3-4-9-18(14)24-12-10-17-20(24)16-8-5-7-15(2)19(16)23-21(17)22-11-13-25/h3-10,12,25H,11,13H2,1-2H3,(H,22,23)
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n/an/a 170n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals R&D

Curated by ChEMBL


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


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


(Rattus norvegicus)
BDBM50000675
PNG
(CHEMBL54511 | Methyl-(6-methyl-1-o-tolyl-2,3-dihyd...)
Show SMILES CNc1nc2c(C)cccc2c2N(CCc12)c1ccccc1C
Show InChI InChI=1S/C20H21N3/c1-13-7-4-5-10-17(13)23-12-11-16-19(23)15-9-6-8-14(2)18(15)22-20(16)21-3/h4-10H,11-12H2,1-3H3,(H,21,22)
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n/an/a 180n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals R&D

Curated by ChEMBL


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


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


(Rattus norvegicus)
BDBM50000677
PNG
(4-(6-Methyl-1-o-tolyl-1H-pyrrolo[3,2-c]quinolin-4-...)
Show SMILES Cc1ccccc1-n1ccc2c(NCCCCO)nc3c(C)cccc3c12
Show InChI InChI=1S/C23H25N3O/c1-16-8-3-4-11-20(16)26-14-12-19-22(26)18-10-7-9-17(2)21(18)25-23(19)24-13-5-6-15-27/h3-4,7-12,14,27H,5-6,13,15H2,1-2H3,(H,24,25)
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n/an/a 220n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals R&D

Curated by ChEMBL


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


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


(Rattus norvegicus)
BDBM50000673
PNG
(6-Methyl-1-o-tolyl-2,3-dihydro-1H-pyrrolo[3,2-c]qu...)
Show SMILES Cc1ccccc1N1CCc2c1c1cccc(C)c1nc2N
Show InChI InChI=1S/C19H19N3/c1-12-6-3-4-9-16(12)22-11-10-15-18(22)14-8-5-7-13(2)17(14)21-19(15)20/h3-9H,10-11H2,1-2H3,(H2,20,21)
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n/an/a 220n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals R&D

Curated by ChEMBL


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


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


(Rattus norvegicus)
BDBM50000684
PNG
((6-Methoxy-1-o-tolyl-2,3-dihydro-1H-pyrrolo[3,2-c]...)
Show SMILES CNc1nc2c(OC)cccc2c2N(CCc12)c1ccccc1C
Show InChI InChI=1S/C20H21N3O/c1-13-7-4-5-9-16(13)23-12-11-15-19(23)14-8-6-10-17(24-3)18(14)22-20(15)21-2/h4-10H,11-12H2,1-3H3,(H,21,22)
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n/an/a 250n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals R&D

Curated by ChEMBL


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


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


(Rattus norvegicus)
BDBM50000682
PNG
(CHEMBL292179 | [1-(4-Methoxy-2-methyl-phenyl)-6-me...)
Show SMILES CNc1nc2c(C)cccc2c2N(CCc12)c1ccc(OC)cc1C
Show InChI InChI=1S/C21H23N3O/c1-13-6-5-7-16-19(13)23-21(22-3)17-10-11-24(20(16)17)18-9-8-15(25-4)12-14(18)2/h5-9,12H,10-11H2,1-4H3,(H,22,23)
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n/an/a 280n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals R&D

Curated by ChEMBL


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


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


(Rattus norvegicus)
BDBM50000666
PNG
(2-(6-Methoxy-1-o-tolyl-2,3-dihydro-1H-pyrrolo[3,2-...)
Show SMILES COc1cccc2c3N(CCc3c(NCCO)nc12)c1ccccc1C
Show InChI InChI=1S/C21H23N3O2/c1-14-6-3-4-8-17(14)24-12-10-16-20(24)15-7-5-9-18(26-2)19(15)23-21(16)22-11-13-25/h3-9,25H,10-13H2,1-2H3,(H,22,23)
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n/an/a 280n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals R&D

Curated by ChEMBL


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


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


(Rattus norvegicus)
BDBM50000680
PNG
(CHEMBL52811 | Methyl-(6-methyl-1-o-tolyl-1H-pyrrol...)
Show SMILES CNc1nc2c(C)cccc2c2n(ccc12)-c1ccccc1C
Show InChI InChI=1S/C20H19N3/c1-13-7-4-5-10-17(13)23-12-11-16-19(23)15-9-6-8-14(2)18(15)22-20(16)21-3/h4-12H,1-3H3,(H,21,22)
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n/an/a 290n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals R&D

Curated by ChEMBL


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


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


(Rattus norvegicus)
BDBM50000667
PNG
(3-(6-Methyl-1-o-tolyl-1H-pyrrolo[3,2-c]quinolin-4-...)
Show SMILES Cc1ccccc1-n1ccc2c(NCCCO)nc3c(C)cccc3c12
Show InChI InChI=1S/C22H23N3O/c1-15-7-3-4-10-19(15)25-13-11-18-21(25)17-9-5-8-16(2)20(17)24-22(18)23-12-6-14-26/h3-5,7-11,13,26H,6,12,14H2,1-2H3,(H,23,24)
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n/an/a 410n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals R&D

Curated by ChEMBL


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


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


(Rattus norvegicus)
BDBM50000679
PNG
(6-Methoxy-1-(2-methoxy-phenyl)-2,3-dihydro-1H-pyrr...)
Show SMILES COc1ccccc1N1CCc2c1c1cccc(OC)c1nc2N
Show InChI InChI=1S/C19H19N3O2/c1-23-15-8-4-3-7-14(15)22-11-10-13-18(22)12-6-5-9-16(24-2)17(12)21-19(13)20/h3-9H,10-11H2,1-2H3,(H2,20,21)
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n/an/a 440n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals R&D

Curated by ChEMBL


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


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


(Rattus norvegicus)
BDBM50000670
PNG
(8-Methoxy-4-o-tolylamino-quinoline-2-carboxylic ac...)
Show SMILES CCOC(=O)c1cc(Nc2ccccc2C)c2cccc(OC)c2n1
Show InChI InChI=1S/C20H20N2O3/c1-4-25-20(23)17-12-16(21-15-10-6-5-8-13(15)2)14-9-7-11-18(24-3)19(14)22-17/h5-12H,4H2,1-3H3,(H,21,22)
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n/an/a 850n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals R&D

Curated by ChEMBL


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


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


(Rattus norvegicus)
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



SmithKline Beecham Pharmaceuticals R&D

Curated by ChEMBL


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


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


(Rattus norvegicus)
BDBM50000681
PNG
(CHEMBL54813 | Dimethyl-(6-methyl-1-o-tolyl-2,3-dih...)
Show SMILES CN(C)c1nc2c(C)cccc2c2N(CCc12)c1ccccc1C
Show InChI InChI=1S/C21H23N3/c1-14-8-5-6-11-18(14)24-13-12-17-20(24)16-10-7-9-15(2)19(16)22-21(17)23(3)4/h5-11H,12-13H2,1-4H3
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n/an/a 1.03E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals R&D

Curated by ChEMBL


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


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


(Rattus norvegicus)
BDBM50000686
PNG
((8-Methyl-1-o-tolyl-2,3-dihydro-1H-pyrrolo[2,3-b]q...)
Show SMILES Cc1ccccc1N1CCc2c1nc1c(C)cccc1c2Nc1ccccc1
Show InChI InChI=1S/C25H23N3/c1-17-9-6-7-14-22(17)28-16-15-21-24(26-19-11-4-3-5-12-19)20-13-8-10-18(2)23(20)27-25(21)28/h3-14H,15-16H2,1-2H3,(H,26,27)
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n/an/a 1.10E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals R&D

Curated by ChEMBL


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


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


(Rattus norvegicus)
BDBM50000671
PNG
((1-o-Tolyl-2,3-dihydro-1H-pyrrolo[3,2-c]quinolin-4...)
Show SMILES Cc1ccccc1N1CCc2c1c1ccccc1nc2CO
Show InChI InChI=1S/C19H18N2O/c1-13-6-2-5-9-18(13)21-11-10-15-17(12-22)20-16-8-4-3-7-14(16)19(15)21/h2-9,22H,10-12H2,1H3
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n/an/a 1.23E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals R&D

Curated by ChEMBL


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


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


(Rattus norvegicus)
BDBM50000669
PNG
(6-Methoxy-1-(2-methoxy-phenyl)-2,3-dihydro-1H-pyrr...)
Show SMILES COc1ccccc1N1CCc2cnc3c(OC)cccc3c12
Show InChI InChI=1S/C19H18N2O2/c1-22-16-8-4-3-7-15(16)21-11-10-13-12-20-18-14(19(13)21)6-5-9-17(18)23-2/h3-9,12H,10-11H2,1-2H3
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n/an/a 1.29E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals R&D

Curated by ChEMBL


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


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


(Rattus norvegicus)
BDBM50000678
PNG
((6-Methyl-1-o-tolyl-2,3-dihydro-1H-pyrrolo[3,2-c]q...)
Show SMILES Cc1ccccc1N1CCc2c1c1cccc(C)c1nc2NC(N)=O
Show InChI InChI=1S/C20H20N4O/c1-12-6-3-4-9-16(12)24-11-10-15-18(24)14-8-5-7-13(2)17(14)22-19(15)23-20(21)25/h3-9H,10-11H2,1-2H3,(H3,21,22,23,25)
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n/an/a 4.97E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals R&D

Curated by ChEMBL


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


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


(Rattus norvegicus)
BDBM50000676
PNG
(1-Methyl-3-(6-methyl-1-o-tolyl-2,3-dihydro-1H-pyrr...)
Show SMILES CNC(=O)Nc1nc2c(C)cccc2c2N(CCc12)c1ccccc1C
Show InChI InChI=1S/C21H22N4O/c1-13-7-4-5-10-17(13)25-12-11-16-19(25)15-9-6-8-14(2)18(15)23-20(16)24-21(26)22-3/h4-10H,11-12H2,1-3H3,(H2,22,23,24,26)
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n/an/a 4.97E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals R&D

Curated by ChEMBL


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


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


(Rattus norvegicus)
BDBM50000674
PNG
(4-Chloro-6-methoxy-1-(2-methoxy-phenyl)-2,3-dihydr...)
Show SMILES COc1ccccc1N1CCc2c1c1cccc(OC)c1nc2Cl
Show InChI InChI=1S/C19H17ClN2O2/c1-23-15-8-4-3-7-14(15)22-11-10-13-18(22)12-6-5-9-16(24-2)17(12)21-19(13)20/h3-9H,10-11H2,1-2H3
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n/an/a 1.07E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals R&D

Curated by ChEMBL


Assay Description
The compound was evaluated for the inhibition of gastric H+/K+ ATPase


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


(Rattus norvegicus)
BDBM50000683
PNG
(6-Methoxy-1-(2-methoxy-phenyl)-2,3-dihydro-1H-pyrr...)
Show SMILES COc1ccccc1N1CCc2c1c1cccc(OC)c1[nH]c2=O
Show InChI InChI=1S/C19H18N2O3/c1-23-15-8-4-3-7-14(15)21-11-10-13-18(21)12-6-5-9-16(24-2)17(12)20-19(13)22/h3-9H,10-11H2,1-2H3,(H,20,22)
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n/an/a 3.34E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals R&D

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%