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Compile Data Set for Download or QSAR

Found 509 hits with Last Name = 'domon' and Initial = 'y'   
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))
BDBM258159
PNG
(US9493448, 61)
Show SMILES CCc1cc(c(F)cc1O[C@H]1CCC[C@@H]1c1ccnn1C)S(=O)(=O)Nc1ccncn1 |r|
Show InChI InChI=1/C21H24FN5O3S/c1-3-14-11-20(31(28,29)26-21-8-9-23-13-24-21)16(22)12-19(14)30-18-6-4-5-15(18)17-7-10-25-27(17)2/h7-13,15,18H,3-6H2,1-2H3,(H,23,24,26)/t15-,18+/s2
PDB

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n/an/a 2.60n/an/an/an/a7.337



DAIICHI SANKYO COMPANY, LIMITED

US Patent


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


US Patent US9493448 (2016)


BindingDB Entry DOI: 10.7270/Q29022QD
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
US9845313, Example 61
PNG
(US9493448, 61)
Show SMILES CCc1cc(c(F)cc1O[C@H]1CCC[C@@H]1c1ccnn1C)S(=O)(=O)Nc1ccncn1 |r|
Show InChI InChI=1/C21H24FN5O3S/c1-3-14-11-20(31(28,29)26-21-8-9-23-13-24-21)16(22)12-19(14)30-18-6-4-5-15(18)17-7-10-25-27(17)2/h7-13,15,18H,3-6H2,1-2H3,(H,23,24,26)/t15-,18+/s2
PDB

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n/an/a 2.60n/an/an/an/an/an/a



DAIICHI SANKYO COMPANY, LIMITED

US Patent




US Patent US9845313 (2017)

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


(Homo sapiens (Human))
BDBM258109
PNG
(US9493448, 11)
Show SMILES Cn1nccc1[C@H]1CCC[C@@H]1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1cscn1 |r|
Show InChI InChI=1/C18H18F2N4O3S2/c1-24-14(5-6-22-24)11-3-2-4-15(11)27-16-7-13(20)17(8-12(16)19)29(25,26)23-18-9-28-10-21-18/h5-11,15,23H,2-4H2,1H3/t11-,15+/s2
PDB

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n/an/a 10n/an/an/an/a7.337



DAIICHI SANKYO COMPANY, LIMITED

US Patent


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


US Patent US9493448 (2016)


BindingDB Entry DOI: 10.7270/Q29022QD
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
US9845313, Example 11
PNG
(5-Chloro-2-fluoro-4-{[(1S*,2R*)-2-(1-methyl-1H-pyr...)
PDB

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n/an/a 10n/an/an/an/an/an/a



DAIICHI SANKYO COMPANY, LIMITED

US Patent




US Patent US9845313 (2017)

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


(Homo sapiens (Human))
BDBM258102
PNG
(US9493448, 4)
Show SMILES Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1 |r|
Show InChI InChI=1/C18H19F2N5O3S2/c1-25-14(6-7-22-25)11-4-2-3-5-15(11)28-16-8-13(20)17(9-12(16)19)30(26,27)24-18-21-10-23-29-18/h6-11,15H,2-5H2,1H3,(H,21,23,24)/t11-,15+/s2
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n/an/a 12n/an/an/an/a7.337



DAIICHI SANKYO COMPANY, LIMITED

US Patent


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


US Patent US9493448 (2016)


BindingDB Entry DOI: 10.7270/Q29022QD
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
US9845313, Example 4
PNG
(US9493448, 4)
Show SMILES Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1 |r|
Show InChI InChI=1/C18H19F2N5O3S2/c1-25-14(6-7-22-25)11-4-2-3-5-15(11)28-16-8-13(20)17(9-12(16)19)30(26,27)24-18-21-10-23-29-18/h6-11,15H,2-5H2,1H3,(H,21,23,24)/t11-,15+/s2
PDB

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n/an/a 12n/an/an/an/an/an/a



DAIICHI SANKYO COMPANY, LIMITED

US Patent




US Patent US9845313 (2017)

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


(Homo sapiens (Human))
US9845313, Example 126
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 |r|
Show InChI InChI=1/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+/s2
PDB

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n/an/a 14n/an/an/an/an/an/a



DAIICHI SANKYO COMPANY, LIMITED

US Patent




US Patent US9845313 (2017)

More data for this
Ligand-Target Pair
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 |r|
Show InChI InChI=1/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+/s2
PDB

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n/an/a 14n/an/an/an/a7.337



DAIICHI SANKYO COMPANY, LIMITED

US Patent


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


US Patent US9493448 (2016)


BindingDB Entry DOI: 10.7270/Q29022QD
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM258107
PNG
(US9493448, 9)
Show SMILES Cn1nccc1[C@H]1CCCCC[C@@H]1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1 |r|
Show InChI InChI=1/C19H21F2N5O3S2/c1-26-15(7-8-23-26)12-5-3-2-4-6-16(12)29-17-9-14(21)18(10-13(17)20)31(27,28)25-19-22-11-24-30-19/h7-12,16H,2-6H2,1H3,(H,22,24,25)/t12-,16+/s2
PDB

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n/an/a 14n/an/an/an/a7.337



DAIICHI SANKYO COMPANY, LIMITED

US Patent


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


US Patent US9493448 (2016)


BindingDB Entry DOI: 10.7270/Q29022QD
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
US9845313, Example 9
PNG
(US9493448, 9)
Show SMILES Cn1nccc1[C@H]1CCCCC[C@@H]1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1 |r|
Show InChI InChI=1/C19H21F2N5O3S2/c1-26-15(7-8-23-26)12-5-3-2-4-6-16(12)29-17-9-14(21)18(10-13(17)20)31(27,28)25-19-22-11-24-30-19/h7-12,16H,2-6H2,1H3,(H,22,24,25)/t12-,16+/s2
PDB

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n/an/a 14n/an/an/an/an/an/a



DAIICHI SANKYO COMPANY, LIMITED

US Patent




US Patent US9845313 (2017)

More data for this
Ligand-Target Pair
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 |r|
Show InChI InChI=1/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+/s2
PDB

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n/an/a 14n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent




US Patent US9597330 (2017)


BindingDB Entry DOI: 10.7270/Q28054PM
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
US9845313, Example 48
PNG
(US9493448, 122 | US9493448, 154 | US9493448, 48 | ...)
Show SMILES Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1 |r|
Show InChI InChI=1/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+/s2
PDB

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



DAIICHI SANKYO COMPANY, LIMITED

US Patent




US Patent US9845313 (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 |r|
Show InChI InChI=1/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+/s2
PDB

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n/an/a 16n/an/an/an/a7.337



DAIICHI SANKYO COMPANY, LIMITED

US Patent


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


US Patent US9493448 (2016)


BindingDB Entry DOI: 10.7270/Q29022QD
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 |r|
Show InChI InChI=1/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+/s2
PDB

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



Daiichi Sankyo Company, Limited

US Patent




US Patent US9597330 (2017)


BindingDB Entry DOI: 10.7270/Q28054PM
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
US9845313, Example 66
PNG
(US9493448, 66)
Show SMILES Cc1c(O[C@H]2CCCC[C@@H]2c2ccnn2C)ccc(c1F)S(=O)(=O)Nc1ccncn1 |r|
Show InChI InChI=1/C21H24FN5O3S/c1-14-17(30-18-6-4-3-5-15(18)16-9-12-25-27(16)2)7-8-19(21(14)22)31(28,29)26-20-10-11-23-13-24-20/h7-13,15,18H,3-6H2,1-2H3,(H,23,24,26)/t15-,18+/s2
PDB

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



DAIICHI SANKYO COMPANY, LIMITED

US Patent




US Patent US9845313 (2017)

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


(Homo sapiens (Human))
US9845313, Example 152
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 |r|
Show InChI InChI=1/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+/s2
PDB

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



DAIICHI SANKYO COMPANY, LIMITED

US Patent




US Patent US9845313 (2017)

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


(Homo sapiens (Human))
US9845313, Example 154
PNG
(US9493448, 122 | US9493448, 154 | US9493448, 48 | ...)
Show SMILES Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1 |r|
Show InChI InChI=1/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+/s2
PDB

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



DAIICHI SANKYO COMPANY, LIMITED

US Patent




US Patent US9845313 (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 |r|
Show InChI InChI=1/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+/s2
PDB

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



Daiichi Sankyo Company, Limited

US Patent




US Patent US9597330 (2017)


BindingDB Entry DOI: 10.7270/Q28054PM
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 |r|
Show InChI InChI=1/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+/s2
PDB

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n/an/a 17n/an/an/an/a7.337



DAIICHI SANKYO COMPANY, LIMITED

US Patent


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


US Patent US9493448 (2016)


BindingDB Entry DOI: 10.7270/Q29022QD
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM258106
PNG
(US9493448, 8)
Show SMILES Cn1nccc1[C@H]1CCC[C@@H]1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1 |r|
Show InChI InChI=1/C17H17F2N5O3S2/c1-24-13(5-6-21-24)10-3-2-4-14(10)27-15-7-12(19)16(8-11(15)18)29(25,26)23-17-20-9-22-28-17/h5-10,14H,2-4H2,1H3,(H,20,22,23)/t10-,14+/s2
PDB

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n/an/a 17n/an/an/an/a7.337



DAIICHI SANKYO COMPANY, LIMITED

US Patent


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


US Patent US9493448 (2016)


BindingDB Entry DOI: 10.7270/Q29022QD
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM258164
PNG
(US9493448, 66)
Show SMILES Cc1c(O[C@H]2CCCC[C@@H]2c2ccnn2C)ccc(c1F)S(=O)(=O)Nc1ccncn1 |r|
Show InChI InChI=1/C21H24FN5O3S/c1-14-17(30-18-6-4-3-5-15(18)16-9-12-25-27(16)2)7-8-19(21(14)22)31(28,29)26-20-10-11-23-13-24-20/h7-13,15,18H,3-6H2,1-2H3,(H,23,24,26)/t15-,18+/s2
PDB

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n/an/a 17n/an/an/an/a7.337



DAIICHI SANKYO COMPANY, LIMITED

US Patent


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


US Patent US9493448 (2016)


BindingDB Entry DOI: 10.7270/Q29022QD
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 |r|
Show InChI InChI=1/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+/s2
PDB

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n/an/a 17n/an/an/an/a7.337



DAIICHI SANKYO COMPANY, LIMITED

US Patent


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


US Patent US9493448 (2016)


BindingDB Entry DOI: 10.7270/Q29022QD
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
US9845313, Example 8
PNG
(US9493448, 8)
Show SMILES Cn1nccc1[C@H]1CCC[C@@H]1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1 |r|
Show InChI InChI=1/C17H17F2N5O3S2/c1-24-13(5-6-21-24)10-3-2-4-14(10)27-15-7-12(19)16(8-11(15)18)29(25,26)23-17-20-9-22-28-17/h5-10,14H,2-4H2,1H3,(H,20,22,23)/t10-,14+/s2
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n/an/a 17n/an/an/an/an/an/a



DAIICHI SANKYO COMPANY, LIMITED

US Patent




US Patent US9845313 (2017)

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


(Homo sapiens (Human))
US9845313, Example 148
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 |r|
Show InChI InChI=1/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+/s2
PDB

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



DAIICHI SANKYO COMPANY, LIMITED

US Patent




US Patent US9845313 (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 |r|
Show InChI InChI=1/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+/s2
PDB

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n/an/a 18n/an/an/an/a7.337



DAIICHI SANKYO COMPANY, LIMITED

US Patent


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


US Patent US9493448 (2016)


BindingDB Entry DOI: 10.7270/Q29022QD
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 |r|
Show InChI InChI=1/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+/s2
PDB

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



Daiichi Sankyo Company, Limited

US Patent




US Patent US9597330 (2017)


BindingDB Entry DOI: 10.7270/Q28054PM
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
US9845313, Example 122
PNG
(US9493448, 122 | US9493448, 154 | US9493448, 48 | ...)
Show SMILES Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1 |r|
Show InChI InChI=1/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+/s2
PDB

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



DAIICHI SANKYO COMPANY, LIMITED

US Patent




US Patent US9845313 (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 |r|
Show InChI InChI=1/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+/s2
PDB

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



Daiichi Sankyo Company, Limited

US Patent




US Patent US9597330 (2017)


BindingDB Entry DOI: 10.7270/Q28054PM
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 |r|
Show InChI InChI=1/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+/s2
PDB

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n/an/a 20n/an/an/an/a7.337



DAIICHI SANKYO COMPANY, LIMITED

US Patent


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


US Patent US9493448 (2016)


BindingDB Entry DOI: 10.7270/Q29022QD
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM258099
PNG
(US9493448, 1 | US9493448, 2 | US9493448, 3 | US949...)
Show SMILES Fc1cc(c(F)cc1O[C@H]1CCCC[C@@H]1c1ccccc1)S(=O)(=O)Nc1ncns1 |r|
Show InChI InChI=1/C20H19F2N3O3S2/c21-15-11-19(30(26,27)25-20-23-12-24-29-20)16(22)10-18(15)28-17-9-5-4-8-14(17)13-6-2-1-3-7-13/h1-3,6-7,10-12,14,17H,4-5,8-9H2,(H,23,24,25)/t14-,17+/s2
PDB

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n/an/a 20n/an/an/an/a7.337



DAIICHI SANKYO COMPANY, LIMITED

US Patent


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


US Patent US9493448 (2016)


BindingDB Entry DOI: 10.7270/Q29022QD
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
US9845313, Example 2
PNG
(US9493448, 1 | US9493448, 2 | US9493448, 3 | US949...)
Show SMILES Fc1cc(c(F)cc1O[C@H]1CCCC[C@@H]1c1ccccc1)S(=O)(=O)Nc1ncns1 |r|
Show InChI InChI=1/C20H19F2N3O3S2/c21-15-11-19(30(26,27)25-20-23-12-24-29-20)16(22)10-18(15)28-17-9-5-4-8-14(17)13-6-2-1-3-7-13/h1-3,6-7,10-12,14,17H,4-5,8-9H2,(H,23,24,25)/t14-,17+/s2
PDB

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



DAIICHI SANKYO COMPANY, LIMITED

US Patent




US Patent US9845313 (2017)

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


(Homo sapiens (Human))
US9845313, Example 143
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 |r|
Show InChI InChI=1/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+/s2
PDB

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



DAIICHI SANKYO COMPANY, LIMITED

US Patent




US Patent US9845313 (2017)

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


(Homo sapiens (Human))
US9845313, Example 150
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 |r|
Show InChI InChI=1/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+/s2
PDB

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



DAIICHI SANKYO COMPANY, LIMITED

US Patent




US Patent US9845313 (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 |r|
Show InChI InChI=1/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+/s2
PDB

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n/an/a 21n/an/an/an/a7.337



DAIICHI SANKYO COMPANY, LIMITED

US Patent


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


US Patent US9493448 (2016)


BindingDB Entry DOI: 10.7270/Q29022QD
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 |r|
Show InChI InChI=1/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+/s2
PDB

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



Daiichi Sankyo Company, Limited

US Patent




US Patent US9597330 (2017)


BindingDB Entry DOI: 10.7270/Q28054PM
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 |r|
Show InChI InChI=1/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+/s2
PDB

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n/an/a 21n/an/an/an/a7.337



DAIICHI SANKYO COMPANY, LIMITED

US Patent


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


US Patent US9493448 (2016)


BindingDB Entry DOI: 10.7270/Q29022QD
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 |r|
Show InChI InChI=1/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+/s2
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n/an/a 21n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent




US Patent US9597330 (2017)


BindingDB Entry DOI: 10.7270/Q28054PM
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM258122
PNG
(US9493448, 24)
Show SMILES Cn1nccc1[C@H]1CCC[C@@H]1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ccnc(F)n1 |r|
Show InChI InChI=1/C19H18F3N5O3S/c1-27-14(5-8-24-27)11-3-2-4-15(11)30-16-9-13(21)17(10-12(16)20)31(28,29)26-18-6-7-23-19(22)25-18/h5-11,15H,2-4H2,1H3,(H,23,25,26)/t11-,15+/s2
PDB

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n/an/a 23n/an/an/an/a7.337



DAIICHI SANKYO COMPANY, LIMITED

US Patent


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


US Patent US9493448 (2016)


BindingDB Entry DOI: 10.7270/Q29022QD
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
US9845313, Example 24
PNG
(US9493448, 24)
Show SMILES Cn1nccc1[C@H]1CCC[C@@H]1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ccnc(F)n1 |r|
Show InChI InChI=1/C19H18F3N5O3S/c1-27-14(5-8-24-27)11-3-2-4-15(11)30-16-9-13(21)17(10-12(16)20)31(28,29)26-18-6-7-23-19(22)25-18/h5-11,15H,2-4H2,1H3,(H,23,25,26)/t11-,15+/s2
PDB

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n/an/a 23n/an/an/an/an/an/a



DAIICHI SANKYO COMPANY, LIMITED

US Patent




US Patent US9845313 (2017)

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


(Homo sapiens (Human))
US9845313, Example 43
PNG
(US9493448, 43 | US9597330, Example 10)
Show SMILES Cc1cc(c(F)cc1O[C@H]1CCC[C@@H]1c1ccnn1C)S(=O)(=O)Nc1ccncn1 |r|
Show InChI InChI=1/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+/s2
PDB

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



DAIICHI SANKYO COMPANY, LIMITED

US Patent




US Patent US9845313 (2017)

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


(Homo sapiens (Human))
US9845313, Example 138
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 |r|
Show InChI InChI=1/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+/s2
PDB

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DAIICHI SANKYO COMPANY, LIMITED

US Patent




US Patent US9845313 (2017)

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


(Homo sapiens (Human))
US9845313, Example 146
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 |r|
Show InChI InChI=1/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+/s2
PDB

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DAIICHI SANKYO COMPANY, LIMITED

US Patent




US Patent US9845313 (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 |r|
Show InChI InChI=1/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+/s2
PDB

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Daiichi Sankyo Company, Limited

US Patent




US Patent US9597330 (2017)


BindingDB Entry DOI: 10.7270/Q28054PM
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 |r|
Show InChI InChI=1/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+/s2
PDB

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DAIICHI SANKYO COMPANY, LIMITED

US Patent


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


US Patent US9493448 (2016)


BindingDB Entry DOI: 10.7270/Q29022QD
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 |r|
Show InChI InChI=1/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+/s2
PDB

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



Daiichi Sankyo Company, Limited

US Patent




US Patent US9597330 (2017)


BindingDB Entry DOI: 10.7270/Q28054PM
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 |r|
Show InChI InChI=1/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+/s2
PDB

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UniProtKB/SwissProt

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n/an/a 24n/an/an/an/a7.337



DAIICHI SANKYO COMPANY, LIMITED

US Patent


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


US Patent US9493448 (2016)


BindingDB Entry DOI: 10.7270/Q29022QD
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 |r|
Show InChI InChI=1/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+/s2
PDB

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UniProtKB/SwissProt

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n/an/a 24n/an/an/an/a7.337



DAIICHI SANKYO COMPANY, LIMITED

US Patent


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


US Patent US9493448 (2016)


BindingDB Entry DOI: 10.7270/Q29022QD
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 |r|
Show InChI InChI=1/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+/s2
PDB

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



Daiichi Sankyo Company, Limited

US Patent




US Patent US9597330 (2017)


BindingDB Entry DOI: 10.7270/Q28054PM
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
US9845313, Example 158
PNG
(5-Chloro-2-fluoro-4-{[(1S,2R)-2-(1H-pyrazol-5-yl)c...)
PDB

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UniProtKB/SwissProt

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



DAIICHI SANKYO COMPANY, LIMITED

US Patent




US Patent US9845313 (2017)

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


(Homo sapiens (Human))
US9845313, Example 15
PNG
(US9493448, 15)
Show SMILES Cn1nccc1[C@H]1CCC[C@@H]1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1nccs1 |r|
Show InChI InChI=1/C18H18F2N4O3S2/c1-24-14(5-6-22-24)11-3-2-4-15(11)27-16-9-13(20)17(10-12(16)19)29(25,26)23-18-21-7-8-28-18/h5-11,15H,2-4H2,1H3,(H,21,23)/t11-,15+/s2
PDB

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UniProtKB/SwissProt

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



DAIICHI SANKYO COMPANY, LIMITED

US Patent




US Patent US9845313 (2017)

More data for this
Ligand-Target Pair
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