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Patent code US9597330

Compile Data Set for Download or QSAR
Found 60 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
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM258219
PNG
(US9493448, 126 | US9597330, Example 37)
Show SMILES Cc1cc(c(F)cc1O[C@H]1CCC(F)(F)C[C@@H]1c1ccnn1C)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C21H22F3N5O3S/c1-13-9-19(33(30,31)28-20-5-7-25-12-26-20)15(22)10-18(13)32-17-3-6-21(23,24)11-14(17)16-4-8-27-29(16)2/h4-5,7-10,12,14,17H,3,6,11H2,1-2H3,(H,25,26,28)/t14-,17+/m1/s1
PDB

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US Patent
n/an/a 14n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Current recording was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. Th...


US Patent US9597330 (2017)

More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM258146
PNG
(US9493448, 122 | US9493448, 154 | US9493448, 48 | ...)
Show SMILES Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C20H21ClFN5O3S/c1-27-16(6-9-25-27)13-4-2-3-5-17(13)30-18-11-15(22)19(10-14(18)21)31(28,29)26-20-7-8-23-12-24-20/h6-13,17H,2-5H2,1H3,(H,23,24,26)/t13-,17+/m1/s1
PDB

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n/an/a 16n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Current recording was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. Th...


US Patent US9597330 (2017)

More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM258244
PNG
(US9493448, 152 | US9597330, Example 52)
Show SMILES Fc1cc(O[C@H]2CC(F)(F)CC[C@@H]2c2cn[nH]c2)c(Cl)cc1S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C19H17ClF3N5O3S/c20-13-5-17(32(29,30)28-18-2-4-24-10-25-18)14(21)6-15(13)31-16-7-19(22,23)3-1-12(16)11-8-26-27-9-11/h2,4-6,8-10,12,16H,1,3,7H2,(H,26,27)(H,24,25,28)/t12-,16+/m1/s1
PDB

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n/an/a 17n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Current recording was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. Th...


US Patent US9597330 (2017)

More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM258231
PNG
(US9493448, 138 | US9493448, 148 | US9597330, Examp...)
Show SMILES Cc1cc(c(F)cc1O[C@H]1CCC[C@@H]1c1ccn[nH]1)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C19H20FN5O3S/c1-12-9-18(29(26,27)25-19-6-7-21-11-22-19)14(20)10-17(12)28-16-4-2-3-13(16)15-5-8-23-24-15/h5-11,13,16H,2-4H2,1H3,(H,23,24)(H,21,22,25)/t13-,16+/m1/s1
PDB

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n/an/a 18n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Current recording was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. Th...


US Patent US9597330 (2017)

More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM258146
PNG
(US9493448, 122 | US9493448, 154 | US9493448, 48 | ...)
Show SMILES Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C20H21ClFN5O3S/c1-27-16(6-9-25-27)13-4-2-3-5-17(13)30-18-11-15(22)19(10-14(18)21)31(28,29)26-20-7-8-23-12-24-20/h6-13,17H,2-5H2,1H3,(H,23,24,26)/t13-,17+/m1/s1
PDB

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n/an/a 20n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Current recording was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. Th...


US Patent US9597330 (2017)

More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM258220
PNG
(US9493448, 127 | US9493448, 143 | US9597330, Examp...)
Show SMILES Cc1cc(c(F)cc1O[C@H]1CC(F)(F)CC[C@@H]1c1cn[nH]c1)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C20H20F3N5O3S/c1-12-6-18(32(29,30)28-19-3-5-24-11-25-19)15(21)7-16(12)31-17-8-20(22,23)4-2-14(17)13-9-26-27-10-13/h3,5-7,9-11,14,17H,2,4,8H2,1H3,(H,26,27)(H,24,25,28)/t14-,17+/m1/s1
PDB

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n/an/a 21n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Current recording was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. Th...


US Patent US9597330 (2017)

More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM258233
PNG
(US9493448, 140 | US9493448, 150 | US9597330, Examp...)
Show SMILES Fc1cc(O[C@H]2CCC[C@@H]2c2ccn[nH]2)c(Cl)cc1S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C18H17ClFN5O3S/c19-12-8-17(29(26,27)25-18-5-6-21-10-22-18)13(20)9-16(12)28-15-3-1-2-11(15)14-4-7-23-24-14/h4-11,15H,1-3H2,(H,23,24)(H,21,22,25)/t11-,15+/m1/s1
PDB

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n/an/a 21n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Current recording was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. Th...


US Patent US9597330 (2017)

More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM258231
PNG
(US9493448, 138 | US9493448, 148 | US9597330, Examp...)
Show SMILES Cc1cc(c(F)cc1O[C@H]1CCC[C@@H]1c1ccn[nH]1)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C19H20FN5O3S/c1-12-9-18(29(26,27)25-19-6-7-21-11-22-19)14(20)10-17(12)28-16-4-2-3-13(16)15-5-8-23-24-15/h5-11,13,16H,2-4H2,1H3,(H,23,24)(H,21,22,25)/t13-,16+/m1/s1
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n/an/a 24n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Current recording was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. Th...


US Patent US9597330 (2017)

More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM258141
PNG
(US9493448, 43 | US9597330, Example 10)
Show SMILES Cc1cc(c(F)cc1O[C@H]1CCC[C@@H]1c1ccnn1C)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C20H22FN5O3S/c1-13-10-19(30(27,28)25-20-7-8-22-12-23-20)15(21)11-18(13)29-17-5-3-4-14(17)16-6-9-24-26(16)2/h6-12,14,17H,3-5H2,1-2H3,(H,22,23,25)/t14-,17+/m1/s1
PDB

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n/an/a 24n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Current recording was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. Th...


US Patent US9597330 (2017)

More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM258238
PNG
(US9493448, 146 | US9597330, Example 49)
Show SMILES Cn1nccc1[C@H]1CC(F)(F)C[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C19H17ClF3N5O3S/c1-28-14(2-5-26-28)11-8-19(22,23)9-16(11)31-15-7-13(21)17(6-12(15)20)32(29,30)27-18-3-4-24-10-25-18/h2-7,10-11,16H,8-9H2,1H3,(H,24,25,27)/t11-,16+/m1/s1
PDB

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n/an/a 24n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Current recording was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. Th...


US Patent US9597330 (2017)

More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM301818
PNG
(2,6-Difluoro-4-{[(1S*,2R*)-2-(1-methyl-1H-pyrazol-...)
Show SMILES Cn1nccc1[C@H]1CCCCC[C@@H]1Oc1cc(F)c(c(F)c1)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C21H23F2N5O3S/c1-28-18(7-10-26-28)15-5-3-2-4-6-19(15)31-14-11-16(22)21(17(23)12-14)32(29,30)27-20-8-9-24-13-25-20/h7-13,15,19H,2-6H2,1H3,(H,24,25,27)/t15-,19+/m1/s1
PDB

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n/an/a 28n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Current recording was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. Th...


US Patent US9597330 (2017)

More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM258246
PNG
(US9493448, 155 | US9597330, Example 54)
Show SMILES Cc1cc(c(F)cc1O[C@H]1CC(F)(F)CC[C@@H]1c1ccn[nH]1)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C20H20F3N5O3S/c1-12-8-18(32(29,30)28-19-4-6-24-11-25-19)14(21)9-16(12)31-17-10-20(22,23)5-2-13(17)15-3-7-26-27-15/h3-4,6-9,11,13,17H,2,5,10H2,1H3,(H,26,27)(H,24,25,28)/t13-,17+/m1/s1
PDB

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n/an/a 28n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Current recording was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. Th...


US Patent US9597330 (2017)

More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM258249
PNG
(US9493448, 158 | US9597330, Example 59)
Show SMILES Fc1cc(O[C@H]2CCCC[C@@H]2c2ccn[nH]2)c(Cl)cc1S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C19H19ClFN5O3S/c20-13-9-18(30(27,28)26-19-6-7-22-11-23-19)14(21)10-17(13)29-16-4-2-1-3-12(16)15-5-8-24-25-15/h5-12,16H,1-4H2,(H,24,25)(H,22,23,26)/t12-,16+/m1/s1
PDB

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n/an/a 28n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Current recording was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. Th...


US Patent US9597330 (2017)

More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM258185
PNG
(US9493448, 137 | US9493448, 90 | US9597330, Exampl...)
Show SMILES Cc1cc(c(F)cc1O[C@H]1CC(F)(F)CC[C@@H]1c1ccnn1C)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C21H22F3N5O3S/c1-13-9-19(33(30,31)28-20-5-7-25-12-26-20)15(22)10-17(13)32-18-11-21(23,24)6-3-14(18)16-4-8-27-29(16)2/h4-5,7-10,12,14,18H,3,6,11H2,1-2H3,(H,25,26,28)/t14-,18+/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Current recording was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. Th...


US Patent US9597330 (2017)

More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM258144
PNG
(US9493448, 46 | US9597330, Example 11)
Show SMILES Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(c(F)c1)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C20H21F2N5O3S/c1-27-17(6-9-25-27)14-4-2-3-5-18(14)30-13-10-15(21)20(16(22)11-13)31(28,29)26-19-7-8-23-12-24-19/h6-12,14,18H,2-5H2,1H3,(H,23,24,26)/t14-,18+/m1/s1
PDB

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n/an/a 30n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Current recording was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. Th...


US Patent US9597330 (2017)

More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM258162
PNG
(US9493448, 64 | US9597330, Example 21)
Show SMILES Cc1cc(c(F)cc1O[C@H]1CCCC[C@@H]1c1ccnn1C)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C21H24FN5O3S/c1-14-11-20(31(28,29)26-21-8-9-23-13-24-21)16(22)12-19(14)30-18-6-4-3-5-15(18)17-7-10-25-27(17)2/h7-13,15,18H,3-6H2,1-2H3,(H,23,24,26)/t15-,18+/m1/s1
PDB

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n/an/a 31n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Current recording was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. Th...


US Patent US9597330 (2017)

More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM258157
PNG
(US9493448, 59 | US9597330, Example 18)
Show SMILES CCn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(c(F)c1)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C21H23F2N5O3S/c1-2-28-18(7-10-26-28)15-5-3-4-6-19(15)31-14-11-16(22)21(17(23)12-14)32(29,30)27-20-8-9-24-13-25-20/h7-13,15,19H,2-6H2,1H3,(H,24,25,27)/t15-,19+/m1/s1
PDB

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n/an/a 31n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Current recording was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. Th...


US Patent US9597330 (2017)

More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM258176
PNG
(US9493448, 172 | US9493448, 81 | US9597330, Exampl...)
Show SMILES Cc1cc(c(F)cc1O[C@H]1CCCC[C@@H]1c1cn[nH]c1)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C20H22FN5O3S/c1-13-8-19(30(27,28)26-20-6-7-22-12-23-20)16(21)9-18(13)29-17-5-3-2-4-15(17)14-10-24-25-11-14/h6-12,15,17H,2-5H2,1H3,(H,24,25)(H,22,23,26)/t15-,17+/m1/s1
PDB

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n/an/a 34n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Current recording was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. Th...


US Patent US9597330 (2017)

More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM258233
PNG
(US9493448, 140 | US9493448, 150 | US9597330, Examp...)
Show SMILES Fc1cc(O[C@H]2CCC[C@@H]2c2ccn[nH]2)c(Cl)cc1S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C18H17ClFN5O3S/c19-12-8-17(29(26,27)25-18-5-6-21-10-22-18)13(20)9-16(12)28-15-3-1-2-11(15)14-4-7-23-24-14/h4-11,15H,1-3H2,(H,23,24)(H,21,22,25)/t11-,15+/m1/s1
PDB

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n/an/a 34n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Current recording was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. Th...


US Patent US9597330 (2017)

More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM258232
PNG
(US9493448, 139 | US9597330, Example 45)
Show SMILES Fc1cc(O[C@H]2CCC[C@@H]2c2ccn[nH]2)cc(F)c1S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C18H17F2N5O3S/c19-13-8-11(28-16-3-1-2-12(16)15-4-7-23-24-15)9-14(20)18(13)29(26,27)25-17-5-6-21-10-22-17/h4-10,12,16H,1-3H2,(H,23,24)(H,21,22,25)/t12-,16+/m1/s1
PDB

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n/an/a 35n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Current recording was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. Th...


US Patent US9597330 (2017)

More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM258179
PNG
(US9493448, 84 | US9597330, Example 26)
Show SMILES Cc1c(O[C@H]2CC(F)(F)CC[C@@H]2c2ccnn2C)ccc(c1F)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C21H22F3N5O3S/c1-13-16(3-4-18(20(13)22)33(30,31)28-19-7-9-25-12-26-19)32-17-11-21(23,24)8-5-14(17)15-6-10-27-29(15)2/h3-4,6-7,9-10,12,14,17H,5,8,11H2,1-2H3,(H,25,26,28)/t14-,17+/m1/s1
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n/an/a 36n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Current recording was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. Th...


US Patent US9597330 (2017)

More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM258170
PNG
(US9493448, 72 | US9597330, Example 23)
Show SMILES Cn1nccc1[C@H]1CCC(C)(C)C[C@@H]1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C22H25F2N5O3S/c1-22(2)7-4-14(17-5-9-27-29(17)3)19(12-22)32-18-10-16(24)20(11-15(18)23)33(30,31)28-21-6-8-25-13-26-21/h5-6,8-11,13-14,19H,4,7,12H2,1-3H3,(H,25,26,28)/t14-,19+/m1/s1
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n/an/a 36n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Current recording was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. Th...


US Patent US9597330 (2017)

More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM258145
PNG
(US9493448, 102 | US9493448, 47 | US9597330, Exampl...)
Show SMILES Cn1nccc1[C@H]1CCC(F)(F)C[C@@H]1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C20H19F4N5O3S/c1-29-15(3-7-27-29)12-2-5-20(23,24)10-17(12)32-16-8-14(22)18(9-13(16)21)33(30,31)28-19-4-6-25-11-26-19/h3-4,6-9,11-12,17H,2,5,10H2,1H3,(H,25,26,28)/t12-,17+/m1/s1
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n/an/a 36n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Current recording was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. Th...


US Patent US9597330 (2017)

More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM301817
PNG
(5-Chloro-2-fluoro-4-{[(1S*,2R*)-2-(1-methyl-1H-pyr...)
Show SMILES Cn1nccc1[C@H]1CCCCC[C@@H]1Oc1cc(F)c(c(F)c1)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C21H23F2N5O3S/c1-28-18(7-10-26-28)15-5-3-2-4-6-19(15)31-14-11-16(22)21(17(23)12-14)32(29,30)27-20-8-9-24-13-25-20/h7-13,15,19H,2-6H2,1H3,(H,24,25,27)/t15-,19+/m1/s1
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n/an/a 37n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Current recording was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. Th...


US Patent US9597330 (2017)

More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM258152
PNG
(US9493448, 54 | US9597330, Example 16)
Show SMILES Cc1cc(ccc1O[C@H]1CCCC[C@@H]1c1ccnn1C)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C21H25N5O3S/c1-15-13-16(30(27,28)25-21-10-11-22-14-23-21)7-8-19(15)29-20-6-4-3-5-17(20)18-9-12-24-26(18)2/h7-14,17,20H,3-6H2,1-2H3,(H,22,23,25)/t17-,20+/m1/s1
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n/an/a 39n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Current recording was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. Th...


US Patent US9597330 (2017)

More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM258252
PNG
(US9493448, 161 | US9493448, 165 | US9597330, Examp...)
Show SMILES Cn1nccc1[C@H]1C[C@H](O)CC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C20H21ClFN5O4S/c1-27-16(4-7-25-27)13-8-12(28)2-3-17(13)31-18-10-15(22)19(9-14(18)21)32(29,30)26-20-5-6-23-11-24-20/h4-7,9-13,17,28H,2-3,8H2,1H3,(H,23,24,26)/t12-,13-,17+/m1/s1
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n/an/a 40n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Current recording was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. Th...


US Patent US9597330 (2017)

More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM258247
PNG
(US9493448, 156 | US9597330, Example 55)
Show SMILES Fc1cc(O[C@H]2CC(F)(F)CC[C@@H]2c2ccn[nH]2)c(Cl)cc1S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C19H17ClF3N5O3S/c20-12-7-17(32(29,30)28-18-3-5-24-10-25-18)13(21)8-15(12)31-16-9-19(22,23)4-1-11(16)14-2-6-26-27-14/h2-3,5-8,10-11,16H,1,4,9H2,(H,26,27)(H,24,25,28)/t11-,16+/m1/s1
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n/an/a 41n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Current recording was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. Th...


US Patent US9597330 (2017)

More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM258201
PNG
(US9493448, 107 | US9597330, Example 31)
Show SMILES Cn1nccc1[C@H]1CC(F)(F)C[C@@H]1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C19H17F4N5O3S/c1-28-14(2-5-26-28)11-8-19(22,23)9-16(11)31-15-6-13(21)17(7-12(15)20)32(29,30)27-18-3-4-24-10-25-18/h2-7,10-11,16H,8-9H2,1H3,(H,24,25,27)/t11-,16+/m1/s1
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n/an/a 42n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Current recording was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. Th...


US Patent US9597330 (2017)

More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM258189
PNG
(US9493448, 171 | US9493448, 94 | US9597330, Exampl...)
Show SMILES Fc1cc(O[C@H]2CCCC[C@@H]2c2cn[nH]c2)cc(F)c1S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C19H19F2N5O3S/c20-15-7-13(29-17-4-2-1-3-14(17)12-9-24-25-10-12)8-16(21)19(15)30(27,28)26-18-5-6-22-11-23-18/h5-11,14,17H,1-4H2,(H,24,25)(H,22,23,26)/t14-,17+/m1/s1
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n/an/a 43n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Current recording was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. Th...


US Patent US9597330 (2017)

More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM258125
PNG
(US9493448, 27 | US9597330, Example 4)
Show SMILES Cn1nccc1[C@H]1CCC[C@@H]1Oc1cc(F)c(c(F)c1)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C19H19F2N5O3S/c1-26-16(5-8-24-26)13-3-2-4-17(13)29-12-9-14(20)19(15(21)10-12)30(27,28)25-18-6-7-22-11-23-18/h5-11,13,17H,2-4H2,1H3,(H,22,23,25)/t13-,17+/m1/s1
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n/an/a 43n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Current recording was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. Th...


US Patent US9597330 (2017)

More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM258165
PNG
(US9493448, 67 | US9597330, Example 22)
Show SMILES Cn1nccc1[C@H]1CC(C)(C)CC[C@@H]1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C22H25F2N5O3S/c1-22(2)7-4-18(14(12-22)17-5-9-27-29(17)3)32-19-10-16(24)20(11-15(19)23)33(30,31)28-21-6-8-25-13-26-21/h5-6,8-11,13-14,18H,4,7,12H2,1-3H3,(H,25,26,28)/t14-,18+/m1/s1
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n/an/a 43n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Current recording was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. Th...


US Patent US9597330 (2017)

More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM258118
PNG
(US9493448, 20 | US9597330, Example 2)
Show SMILES Cn1nccc1[C@H]1CCC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C19H19ClFN5O3S/c1-26-15(5-8-24-26)12-3-2-4-16(12)29-17-10-14(21)18(9-13(17)20)30(27,28)25-19-6-7-22-11-23-19/h5-12,16H,2-4H2,1H3,(H,22,23,25)/t12-,16+/m1/s1
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n/an/a 45n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Current recording was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. Th...


US Patent US9597330 (2017)

More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM258126
PNG
(US9493448, 28 | US9597330, Example 5)
Show SMILES CCn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C21H23F2N5O3S/c1-2-28-17(7-10-26-28)14-5-3-4-6-18(14)31-19-11-16(23)20(12-15(19)22)32(29,30)27-21-8-9-24-13-25-21/h7-14,18H,2-6H2,1H3,(H,24,25,27)/t14-,18+/m1/s1
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n/an/a 46n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Current recording was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. Th...


US Patent US9597330 (2017)

More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM258148
PNG
(US9493448, 50 | US9597330, Example 14)
Show SMILES CCn1nccc1[C@H]1CCC[C@@H]1Oc1cc(F)c(c(F)c1)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C20H21F2N5O3S/c1-2-27-17(6-9-25-27)14-4-3-5-18(14)30-13-10-15(21)20(16(22)11-13)31(28,29)26-19-7-8-23-12-24-19/h6-12,14,18H,2-5H2,1H3,(H,23,24,26)/t14-,18+/m1/s1
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n/an/a 47n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Current recording was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. Th...


US Patent US9597330 (2017)

More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM258248
PNG
(US9493448, 157 | US9597330, Example 56)
Show SMILES Cc1cc(c(F)cc1O[C@H]1CCC(F)(F)C[C@@H]1c1ccn[nH]1)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C20H20F3N5O3S/c1-12-8-18(32(29,30)28-19-4-6-24-11-25-19)14(21)9-17(12)31-16-2-5-20(22,23)10-13(16)15-3-7-26-27-15/h3-4,6-9,11,13,16H,2,5,10H2,1H3,(H,26,27)(H,24,25,28)/t13-,16+/m1/s1
PDB

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n/an/a 50n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Current recording was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. Th...


US Patent US9597330 (2017)

More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM258203
PNG
(US9493448, 109 | US9597330, Example 32)
Show SMILES Cn1nccc1[C@H]1CCC(F)(F)C[C@@H]1Oc1cc(F)c(c(F)c1)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C20H19F4N5O3S/c1-29-16(3-7-27-29)13-2-5-20(23,24)10-17(13)32-12-8-14(21)19(15(22)9-12)33(30,31)28-18-4-6-25-11-26-18/h3-4,6-9,11,13,17H,2,5,10H2,1H3,(H,25,26,28)/t13-,17+/m1/s1
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Daiichi Sankyo Company, Limited

US Patent


Assay Description
Current recording was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. Th...


US Patent US9597330 (2017)

More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM258228
PNG
(US9493448, 135 | US9597330, Example 42)
Show SMILES Cn1nccc1[C@H]1CC(F)(F)C[C@@H]1Oc1cc(F)c(c(F)c1)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C19H17F4N5O3S/c1-28-15(2-5-26-28)12-8-19(22,23)9-16(12)31-11-6-13(20)18(14(21)7-11)32(29,30)27-17-3-4-24-10-25-17/h2-7,10,12,16H,8-9H2,1H3,(H,24,25,27)/t12-,16+/m1/s1
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n/an/a 51n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Current recording was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. Th...


US Patent US9597330 (2017)

More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM258226
PNG
(US9493448, 133 | US9597330, Example 41)
Show SMILES Cc1cc(c(F)cc1O[C@H]1CC(F)(F)C[C@@H]1c1ccnn1C)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C20H20F3N5O3S/c1-12-7-18(32(29,30)27-19-4-5-24-11-25-19)14(21)8-16(12)31-17-10-20(22,23)9-13(17)15-3-6-26-28(15)2/h3-8,11,13,17H,9-10H2,1-2H3,(H,24,25,27)/t13-,17+/m1/s1
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n/an/a 57n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Current recording was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. Th...


US Patent US9597330 (2017)

More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM258234
PNG
(US9493448, 141 | US9597330, Example 47)
Show SMILES Cn1nccc1[C@H]1CCC(F)(F)C[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C20H19ClF3N5O3S/c1-29-15(3-7-27-29)12-2-5-20(23,24)10-17(12)32-16-9-14(22)18(8-13(16)21)33(30,31)28-19-4-6-25-11-26-19/h3-4,6-9,11-12,17H,2,5,10H2,1H3,(H,25,26,28)/t12-,17+/m1/s1
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n/an/a 58n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Current recording was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. Th...


US Patent US9597330 (2017)

More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM258112
PNG
(US9493448, 14 | US9493448, 31 | US9597330, Example...)
Show SMILES Cn1nccc1[C@H]1CCC[C@@H]1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C19H19F2N5O3S/c1-26-15(5-8-24-26)12-3-2-4-16(12)29-17-9-14(21)18(10-13(17)20)30(27,28)25-19-6-7-22-11-23-19/h5-12,16H,2-4H2,1H3,(H,22,23,25)/t12-,16+/m1/s1
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n/an/a 58n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Current recording was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. Th...


US Patent US9597330 (2017)

More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM258257
PNG
(US9493448, 166 | US9597330, Example 58)
Show SMILES CC(=O)O[C@@H]1CC[C@H](Oc2cc(F)c(cc2Cl)S(=O)(=O)Nc2ccncn2)[C@H](C1)c1ccnn1C
Show InChI InChI=1S/C22H23ClFN5O5S/c1-13(30)33-14-3-4-19(15(9-14)18-5-8-27-29(18)2)34-20-11-17(24)21(10-16(20)23)35(31,32)28-22-6-7-25-12-26-22/h5-8,10-12,14-15,19H,3-4,9H2,1-2H3,(H,25,26,28)/t14-,15-,19+/m1/s1
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n/an/a 59n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Current recording was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. Th...


US Patent US9597330 (2017)

More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM258224
PNG
(US9493448, 131 | US9597330, Example 40)
Show SMILES Cn1nccc1[C@H]1CC(F)(F)CC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C20H19ClF3N5O3S/c1-29-15(3-7-27-29)12-10-20(23,24)5-2-16(12)32-17-9-14(22)18(8-13(17)21)33(30,31)28-19-4-6-25-11-26-19/h3-4,6-9,11-12,16H,2,5,10H2,1H3,(H,25,26,28)/t12-,16+/m1/s1
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n/an/a 59n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Current recording was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. Th...


US Patent US9597330 (2017)

More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM258188
PNG
(US9493448, 93 | US9597330, Example 28)
Show SMILES Cn1nccc1[C@H]1CC(C)(C)C[C@@H]1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C21H23F2N5O3S/c1-21(2)10-13(16-4-7-26-28(16)3)18(11-21)31-17-8-15(23)19(9-14(17)22)32(29,30)27-20-5-6-24-12-25-20/h4-9,12-13,18H,10-11H2,1-3H3,(H,24,25,27)/t13-,18+/m1/s1
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n/an/a 65n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Current recording was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. Th...


US Patent US9597330 (2017)

More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM258174
PNG
(US9493448, 79 | US9597330, Example 24)
Show SMILES Cn1nccc1[C@H]1CCCC[C@@H]1Oc1ccc(c(F)c1Cl)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C20H21ClFN5O3S/c1-27-14(8-11-25-27)13-4-2-3-5-15(13)30-16-6-7-17(20(22)19(16)21)31(28,29)26-18-9-10-23-12-24-18/h6-13,15H,2-5H2,1H3,(H,23,24,26)/t13-,15+/m1/s1
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n/an/a 70n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Current recording was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. Th...


US Patent US9597330 (2017)

More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM258155
PNG
(US9493448, 57 | US9597330, Example 17)
Show SMILES Cc1cc(ccc1O[C@H]1CCCCC[C@@H]1c1ccnn1C)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C22H27N5O3S/c1-16-14-17(31(28,29)26-22-11-12-23-15-24-22)8-9-20(16)30-21-7-5-3-4-6-18(21)19-10-13-25-27(19)2/h8-15,18,21H,3-7H2,1-2H3,(H,23,24,26)/t18-,21+/m1/s1
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n/an/a 75n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Current recording was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. Th...


US Patent US9597330 (2017)

More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM258150
PNG
(US9493448, 52 | US9597330, Example 15)
Show SMILES Cc1cc(ccc1O[C@H]1CCC[C@@H]1c1ccnn1C)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C20H23N5O3S/c1-14-12-15(29(26,27)24-20-9-10-21-13-22-20)6-7-18(14)28-19-5-3-4-16(19)17-8-11-23-25(17)2/h6-13,16,19H,3-5H2,1-2H3,(H,21,22,24)/t16-,19+/m1/s1
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n/an/a 83n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Current recording was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. Th...


US Patent US9597330 (2017)

More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM258175
PNG
(US9493448, 80 | US9597330, Example 25)
Show SMILES Cn1nccc1[C@H]1CCC[C@@H]1Oc1ccc(c(F)c1Cl)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C19H19ClFN5O3S/c1-26-13(7-10-24-26)12-3-2-4-14(12)29-15-5-6-16(19(21)18(15)20)30(27,28)25-17-8-9-22-11-23-17/h5-12,14H,2-4H2,1H3,(H,22,23,25)/t12-,14+/m1/s1
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n/an/a 86n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Current recording was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. Th...


US Patent US9597330 (2017)

More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM258185
PNG
(US9493448, 137 | US9493448, 90 | US9597330, Exampl...)
Show SMILES Cc1cc(c(F)cc1O[C@H]1CC(F)(F)CC[C@@H]1c1ccnn1C)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C21H22F3N5O3S/c1-13-9-19(33(30,31)28-20-5-7-25-12-26-20)15(22)10-17(13)32-18-11-21(23,24)6-3-14(18)16-4-8-27-29(16)2/h4-5,7-10,12,14,18H,3,6,11H2,1-2H3,(H,25,26,28)/t14-,18+/m1/s1
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n/an/a 89n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Current recording was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. Th...


US Patent US9597330 (2017)

More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM301800
PNG
(2,5-Difluoro-4-{[(1S*,2R*)-2-(1-methyl-1H-pyrazol-...)
Show SMILES CC1C=CC=C1[C@H]1CCCCC[C@@H]1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C23H25F2N3O3S/c1-15-6-5-8-16(15)17-7-3-2-4-9-20(17)31-21-12-19(25)22(13-18(21)24)32(29,30)28-23-10-11-26-14-27-23/h5-6,8,10-15,17,20H,2-4,7,9H2,1H3,(H,26,27,28)/t15?,17-,20+/m1/s1
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n/an/a 91n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Current recording was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. Th...


US Patent US9597330 (2017)

More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM258123
PNG
(US9493448, 25 | US9597330, Example 3)
Show SMILES Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C20H21F2N5O3S/c1-27-16(6-9-25-27)13-4-2-3-5-17(13)30-18-10-15(22)19(11-14(18)21)31(28,29)26-20-7-8-23-12-24-20/h6-13,17H,2-5H2,1H3,(H,23,24,26)/t13-,17+/m1/s1
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n/an/a 95n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Current recording was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. Th...


US Patent US9597330 (2017)

More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM258222
PNG
(US9493448, 129 | US9597330, Example 39)
Show SMILES Cn1nccc1[C@H]1CC(F)(F)CC[C@@H]1Oc1cc(F)c(c(F)c1)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C20H19F4N5O3S/c1-29-16(3-7-27-29)13-10-20(23,24)5-2-17(13)32-12-8-14(21)19(15(22)9-12)33(30,31)28-18-4-6-25-11-26-18/h3-4,6-9,11,13,17H,2,5,10H2,1H3,(H,25,26,28)/t13-,17+/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Current recording was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. Th...


US Patent US9597330 (2017)

More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM258136
PNG
(US9493448, 119 | US9493448, 38 | US9493448, 95 | U...)
Show SMILES CCn1nccc1[C@H]1CCC[C@@H]1Oc1ccc(c(F)c1F)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C20H21F2N5O3S/c1-2-27-14(8-11-25-27)13-4-3-5-15(13)30-16-6-7-17(20(22)19(16)21)31(28,29)26-18-9-10-23-12-24-18/h6-13,15H,2-5H2,1H3,(H,23,24,26)/t13-,15+/m1/s1
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Daiichi Sankyo Company, Limited

US Patent


Assay Description
Current recording was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. Th...


US Patent US9597330 (2017)

More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM258189
PNG
(US9493448, 171 | US9493448, 94 | US9597330, Exampl...)
Show SMILES Fc1cc(O[C@H]2CCCC[C@@H]2c2cn[nH]c2)cc(F)c1S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C19H19F2N5O3S/c20-15-7-13(29-17-4-2-1-3-14(17)12-9-24-25-10-12)8-16(21)19(15)30(27,28)26-18-5-6-22-11-23-18/h5-11,14,17H,1-4H2,(H,24,25)(H,22,23,26)/t14-,17+/m1/s1
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n/an/a 120n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Current recording was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. Th...


US Patent US9597330 (2017)

More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM258220
PNG
(US9493448, 127 | US9493448, 143 | US9597330, Examp...)
Show SMILES Cc1cc(c(F)cc1O[C@H]1CC(F)(F)CC[C@@H]1c1cn[nH]c1)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C20H20F3N5O3S/c1-12-6-18(32(29,30)28-19-3-5-24-11-25-19)15(21)7-16(12)31-17-8-20(22,23)4-2-14(17)13-9-26-27-10-13/h3,5-7,9-11,14,17H,2,4,8H2,1H3,(H,26,27)(H,24,25,28)/t14-,17+/m1/s1
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n/an/a 120n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Current recording was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. Th...


US Patent US9597330 (2017)

More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM258145
PNG
(US9493448, 102 | US9493448, 47 | US9597330, Exampl...)
Show SMILES Cn1nccc1[C@H]1CCC(F)(F)C[C@@H]1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C20H19F4N5O3S/c1-29-15(3-7-27-29)12-2-5-20(23,24)10-17(12)32-16-8-14(22)18(9-13(16)21)33(30,31)28-19-4-6-25-11-26-19/h3-4,6-9,11-12,17H,2,5,10H2,1H3,(H,25,26,28)/t12-,17+/m1/s1
PDB

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n/an/a 120n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Current recording was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. Th...


US Patent US9597330 (2017)

More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM258252
PNG
(US9493448, 161 | US9493448, 165 | US9597330, Examp...)
Show SMILES Cn1nccc1[C@H]1C[C@H](O)CC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C20H21ClFN5O4S/c1-27-16(4-7-25-27)13-8-12(28)2-3-17(13)31-18-10-15(22)19(9-14(18)21)32(29,30)26-20-5-6-23-11-24-20/h4-7,9-13,17,28H,2-3,8H2,1H3,(H,23,24,26)/t12-,13-,17+/m1/s1
PDB

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n/an/a 130n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Current recording was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. Th...


US Patent US9597330 (2017)

More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM258112
PNG
(US9493448, 14 | US9493448, 31 | US9597330, Example...)
Show SMILES Cn1nccc1[C@H]1CCC[C@@H]1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C19H19F2N5O3S/c1-26-15(5-8-24-26)12-3-2-4-16(12)29-17-9-14(21)18(10-13(17)20)30(27,28)25-19-6-7-22-11-23-19/h5-12,16H,2-4H2,1H3,(H,22,23,25)/t12-,16+/m1/s1
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n/an/a 150n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Current recording was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. Th...


US Patent US9597330 (2017)

More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM258136
PNG
(US9493448, 119 | US9493448, 38 | US9493448, 95 | U...)
Show SMILES CCn1nccc1[C@H]1CCC[C@@H]1Oc1ccc(c(F)c1F)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C20H21F2N5O3S/c1-2-27-14(8-11-25-27)13-4-3-5-15(13)30-16-6-7-17(20(22)19(16)21)31(28,29)26-18-9-10-23-12-24-18/h6-13,15H,2-5H2,1H3,(H,23,24,26)/t13-,15+/m1/s1
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n/an/a 240n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Current recording was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. Th...


US Patent US9597330 (2017)

More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM258127
PNG
(US9493448, 124 | US9493448, 29 | US9597330, Exampl...)
Show SMILES Cn1nccc1[C@H]1CCC[C@@H]1Oc1ccc(c(F)c1)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C19H20FN5O3S/c1-25-16(7-10-23-25)14-3-2-4-17(14)28-13-5-6-18(15(20)11-13)29(26,27)24-19-8-9-21-12-22-19/h5-12,14,17H,2-4H2,1H3,(H,21,22,24)/t14-,17+/m1/s1
PDB

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n/an/a 1.80E+3n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Current recording was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. Th...


US Patent US9597330 (2017)

More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM258127
PNG
(US9493448, 124 | US9493448, 29 | US9597330, Exampl...)
Show SMILES Cn1nccc1[C@H]1CCC[C@@H]1Oc1ccc(c(F)c1)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C19H20FN5O3S/c1-25-16(7-10-23-25)14-3-2-4-17(14)28-13-5-6-18(15(20)11-13)29(26,27)24-19-8-9-21-12-22-19/h5-12,14,17H,2-4H2,1H3,(H,21,22,24)/t14-,17+/m1/s1
PDB

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n/an/a 2.40E+3n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Current recording was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. Th...


US Patent US9597330 (2017)

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