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Patent code US10308605

Compile Data Set for Download or QSAR
Found 14 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


(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
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4.20n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

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
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 8.90n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

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
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 9n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

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
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 13n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

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))
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
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 22n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

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))
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
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 33n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

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))
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
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 36n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

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
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 51n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

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))
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
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 51n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

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))
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
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 62n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

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))
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
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 78n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

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))
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)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 86n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

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))
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
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 91n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

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))
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
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 710n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

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
* indicates data uncertainty>20%