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Compile Data Set for Download or QSAR

Found 287 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 6850   
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))
BDBM154037
PNG
(US9012443, 30)
Show SMILES COc1cc(Cl)ccc1-c1cccc2cc(ccc12)S(=O)(=O)Nc1ncns1
Show InChI InChI=1S/C19H14ClN3O3S2/c1-26-18-10-13(20)5-7-17(18)16-4-2-3-12-9-14(6-8-15(12)16)28(24,25)23-19-21-11-22-27-19/h2-11H,1H3,(H,21,22,23)
PDB

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US Patent
n/an/a 4n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
293 Cells stably transfected with either Nav 1.7 or Nav 1.5 were recorded in population patch-clamp mode with the IonWorks Quattro automated electrop...


US Patent US9012443 (2015)


BindingDB Entry DOI: 10.7270/Q2N0158J
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM154131
PNG
(US9012443, 139)
Show SMILES COc1ccc(cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1)C(F)(F)F
Show InChI InChI=1S/C21H15F3N4O3S/c1-31-18-5-2-14(21(22,23)24)11-17(18)20-16-4-3-15(10-13(16)6-9-26-20)32(29,30)28-19-7-8-25-12-27-19/h2-12H,1H3,(H,25,27,28)
PDB

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



Amgen Inc

US Patent


Assay Description
293 Cells stably transfected with either Nav 1.7 or Nav 1.5 were recorded in population patch-clamp mode with the IonWorks Quattro automated electrop...


US Patent US9012443 (2015)


BindingDB Entry DOI: 10.7270/Q2N0158J
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM154187
PNG
(US9012443, 196)
Show SMILES COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F
Show InChI InChI=1S/C20H14F3N3O3S2/c1-29-17-11-13(20(21,22)23)2-4-16(17)18-15-5-3-14(10-12(15)6-7-24-18)31(27,28)26-19-25-8-9-30-19/h2-11H,1H3,(H,25,26)
PDB

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



Amgen Inc

US Patent


Assay Description
293 Cells stably transfected with either Nav 1.7 or Nav 1.5 were recorded in population patch-clamp mode with the IonWorks Quattro automated electrop...


US Patent US9012443 (2015)


BindingDB Entry DOI: 10.7270/Q2N0158J
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM154198
PNG
(US9012443, 211)
Show SMILES COc1ccccc1-c1ncc(F)c2cc(ccc12)S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C19H14FN3O3S2/c1-26-17-5-3-2-4-14(17)18-13-7-6-12(10-15(13)16(20)11-22-18)28(24,25)23-19-21-8-9-27-19/h2-11H,1H3,(H,21,23)
PDB

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



Amgen Inc

US Patent


Assay Description
293 Cells stably transfected with either Nav 1.7 or Nav 1.5 were recorded in population patch-clamp mode with the IonWorks Quattro automated electrop...


US Patent US9012443 (2015)


BindingDB Entry DOI: 10.7270/Q2N0158J
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM154200
PNG
(US9012443, 213)
Show SMILES COc1cc(F)ccc1-c1ncc(F)c2cc(ccc12)S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C19H13F2N3O3S2/c1-27-17-8-11(20)2-4-14(17)18-13-5-3-12(9-15(13)16(21)10-23-18)29(25,26)24-19-22-6-7-28-19/h2-10H,1H3,(H,22,24)
PDB

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US Patent
n/an/a 10n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
293 Cells stably transfected with either Nav 1.7 or Nav 1.5 were recorded in population patch-clamp mode with the IonWorks Quattro automated electrop...


US Patent US9012443 (2015)


BindingDB Entry DOI: 10.7270/Q2N0158J
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM154215
PNG
(US9012443, 229)
Show SMILES FC(F)(F)c1ccc(c(c1)-n1ccnc1)-c1nccc2cc(ccc12)S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C22H14F3N5O2S2/c23-22(24,25)15-1-3-18(19(12-15)30-9-7-26-13-30)20-17-4-2-16(11-14(17)5-6-27-20)34(31,32)29-21-28-8-10-33-21/h1-13H,(H,28,29)
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n/an/a 10n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
293 Cells stably transfected with either Nav 1.7 or Nav 1.5 were recorded in population patch-clamp mode with the IonWorks Quattro automated electrop...


US Patent US9012443 (2015)


BindingDB Entry DOI: 10.7270/Q2N0158J
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM154245
PNG
(US9012443, 261)
Show SMILES COc1cc(ccc1-c1ncnc2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F
Show InChI InChI=1S/C19H13F3N4O3S2/c1-29-16-8-11(19(20,21)22)2-4-14(16)17-13-5-3-12(9-15(13)24-10-25-17)31(27,28)26-18-23-6-7-30-18/h2-10H,1H3,(H,23,26)
PDB

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US Patent
n/an/a 10n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
293 Cells stably transfected with either Nav 1.7 or Nav 1.5 were recorded in population patch-clamp mode with the IonWorks Quattro automated electrop...


US Patent US9012443 (2015)


BindingDB Entry DOI: 10.7270/Q2N0158J
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM154247
PNG
(US9012443, 263)
Show SMILES COc1cc(ccc1-c1ncnc2cc(ccc12)S(=O)(=O)Nc1ncc(F)s1)C(F)(F)F
Show InChI InChI=1S/C19H12F4N4O3S2/c1-30-15-6-10(19(21,22)23)2-4-13(15)17-12-5-3-11(7-14(12)25-9-26-17)32(28,29)27-18-24-8-16(20)31-18/h2-9H,1H3,(H,24,27)
PDB

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US Patent
n/an/a 10n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
293 Cells stably transfected with either Nav 1.7 or Nav 1.5 were recorded in population patch-clamp mode with the IonWorks Quattro automated electrop...


US Patent US9012443 (2015)


BindingDB Entry DOI: 10.7270/Q2N0158J
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM154250
PNG
(US9012443, 266)
Show SMILES COc1cc(ccc1-c1ncnc2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)F
Show InChI InChI=1S/C19H14F2N4O3S2/c1-28-16-8-11(18(20)21)2-4-14(16)17-13-5-3-12(9-15(13)23-10-24-17)30(26,27)25-19-22-6-7-29-19/h2-10,18H,1H3,(H,22,25)
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US Patent
n/an/a 10n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
293 Cells stably transfected with either Nav 1.7 or Nav 1.5 were recorded in population patch-clamp mode with the IonWorks Quattro automated electrop...


US Patent US9012443 (2015)


BindingDB Entry DOI: 10.7270/Q2N0158J
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM154251
PNG
(US9012443, 267)
Show SMILES COc1cc(Cl)ccc1-c1ncnc2cc(ccc12)S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C18H13ClN4O3S2/c1-26-16-8-11(19)2-4-14(16)17-13-5-3-12(9-15(13)21-10-22-17)28(24,25)23-18-20-6-7-27-18/h2-10H,1H3,(H,20,23)
PDB

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US Patent
n/an/a 10n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
293 Cells stably transfected with either Nav 1.7 or Nav 1.5 were recorded in population patch-clamp mode with the IonWorks Quattro automated electrop...


US Patent US9012443 (2015)


BindingDB Entry DOI: 10.7270/Q2N0158J
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM154267
PNG
(US9012443, 283)
Show SMILES COc1cc(ccc1-c1c(N)cnc2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F
Show InChI InChI=1S/C20H15F3N4O3S2/c1-30-17-8-11(20(21,22)23)2-4-14(17)18-13-5-3-12(9-16(13)26-10-15(18)24)32(28,29)27-19-25-6-7-31-19/h2-10H,24H2,1H3,(H,25,27)
PDB

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US Patent
n/an/a 10n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
293 Cells stably transfected with either Nav 1.7 or Nav 1.5 were recorded in population patch-clamp mode with the IonWorks Quattro automated electrop...


US Patent US9012443 (2015)


BindingDB Entry DOI: 10.7270/Q2N0158J
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM154113
PNG
(US9012443, 120)
Show SMILES FC(F)(F)c1ccc(c(c1)C1CCNCC1)-c1cccc2cc(ccc12)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C26H23F3N4O2S/c27-26(28,29)19-4-6-23(24(15-19)17-8-11-30-12-9-17)22-3-1-2-18-14-20(5-7-21(18)22)36(34,35)33-25-10-13-31-16-32-25/h1-7,10,13-17,30H,8-9,11-12H2,(H,31,32,33)
PDB

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



Amgen Inc

US Patent


Assay Description
293 Cells stably transfected with either Nav 1.7 or Nav 1.5 were recorded in population patch-clamp mode with the IonWorks Quattro automated electrop...


US Patent US9012443 (2015)


BindingDB Entry DOI: 10.7270/Q2N0158J
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM154019
PNG
(US9012443, 12)
Show SMILES COc1cc(ccc1-c1cccc2cc(ccc12)S(=O)(=O)Nc1ncns1)C(F)(F)F
Show InChI InChI=1S/C20H14F3N3O3S2/c1-29-18-10-13(20(21,22)23)5-7-17(18)16-4-2-3-12-9-14(6-8-15(12)16)31(27,28)26-19-24-11-25-30-19/h2-11H,1H3,(H,24,25,26)
PDB

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



Amgen Inc

US Patent


Assay Description
293 Cells stably transfected with either Nav 1.7 or Nav 1.5 were recorded in population patch-clamp mode with the IonWorks Quattro automated electrop...


US Patent US9012443 (2015)


BindingDB Entry DOI: 10.7270/Q2N0158J
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM154059
PNG
(US9012443, 55)
Show SMILES FC(F)(F)c1ccc(c(c1)-c1cn[nH]c1)-c1nccc2cc(ccc12)S(=O)(=O)Nc1ncns1
Show InChI InChI=1S/C21H13F3N6O2S2/c22-21(23,24)14-1-3-17(18(8-14)13-9-27-28-10-13)19-16-4-2-15(7-12(16)5-6-25-19)34(31,32)30-20-26-11-29-33-20/h1-11H,(H,27,28)(H,26,29,30)
PDB

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US Patent
n/an/a 10n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
293 Cells stably transfected with either Nav 1.7 or Nav 1.5 were recorded in population patch-clamp mode with the IonWorks Quattro automated electrop...


US Patent US9012443 (2015)


BindingDB Entry DOI: 10.7270/Q2N0158J
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM154185
PNG
(US9012443, 194)
Show SMILES COc1ccccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ncns1
Show InChI InChI=1S/C18H14N4O3S2/c1-25-16-5-3-2-4-15(16)17-14-7-6-13(10-12(14)8-9-19-17)27(23,24)22-18-20-11-21-26-18/h2-11H,1H3,(H,20,21,22)
PDB

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



Amgen Inc

US Patent


Assay Description
293 Cells stably transfected with either Nav 1.7 or Nav 1.5 were recorded in population patch-clamp mode with the IonWorks Quattro automated electrop...


US Patent US9012443 (2015)


BindingDB Entry DOI: 10.7270/Q2N0158J
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM154186
PNG
(US9012443, 195)
Show SMILES COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ncns1)C(F)(F)F
Show InChI InChI=1S/C19H13F3N4O3S2/c1-29-16-9-12(19(20,21)22)2-4-15(16)17-14-5-3-13(8-11(14)6-7-23-17)31(27,28)26-18-24-10-25-30-18/h2-10H,1H3,(H,24,25,26)
PDB

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



Amgen Inc

US Patent


Assay Description
293 Cells stably transfected with either Nav 1.7 or Nav 1.5 were recorded in population patch-clamp mode with the IonWorks Quattro automated electrop...


US Patent US9012443 (2015)


BindingDB Entry DOI: 10.7270/Q2N0158J
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM154079
PNG
(US9012443, 83)
Show SMILES O=S(=O)(Nc1ncns1)c1ccc2c(cccc2c1)N1CCCC1c1ccccc1
Show InChI InChI=1/C22H20N4O2S2/c27-30(28,25-22-23-15-24-29-22)18-11-12-19-17(14-18)8-4-9-21(19)26-13-5-10-20(26)16-6-2-1-3-7-16/h1-4,6-9,11-12,14-15,20H,5,10,13H2,(H,23,24,25)
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n/an/a 10n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
293 Cells stably transfected with either Nav 1.7 or Nav 1.5 were recorded in population patch-clamp mode with the IonWorks Quattro automated electrop...


US Patent US9012443 (2015)


BindingDB Entry DOI: 10.7270/Q2N0158J
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM154081
PNG
(US9012443, 85)
Show SMILES O=S(=O)(Nc1ncns1)c1ccc2c(cccc2c1)N1CCCC1c1cccnc1
Show InChI InChI=1/C21H19N5O2S2/c27-30(28,25-21-23-14-24-29-21)17-8-9-18-15(12-17)4-1-6-20(18)26-11-3-7-19(26)16-5-2-10-22-13-16/h1-2,4-6,8-10,12-14,19H,3,7,11H2,(H,23,24,25)
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n/an/a 10n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
293 Cells stably transfected with either Nav 1.7 or Nav 1.5 were recorded in population patch-clamp mode with the IonWorks Quattro automated electrop...


US Patent US9012443 (2015)


BindingDB Entry DOI: 10.7270/Q2N0158J
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM154088
PNG
(US9012443, 94)
Show SMILES COc1ccccc1-c1cccc2cc(ccc12)S(=O)(=O)Nc1ncns1
Show InChI InChI=1S/C19H15N3O3S2/c1-25-18-8-3-2-6-17(18)16-7-4-5-13-11-14(9-10-15(13)16)27(23,24)22-19-20-12-21-26-19/h2-12H,1H3,(H,20,21,22)
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n/an/a 10n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
293 Cells stably transfected with either Nav 1.7 or Nav 1.5 were recorded in population patch-clamp mode with the IonWorks Quattro automated electrop...


US Patent US9012443 (2015)


BindingDB Entry DOI: 10.7270/Q2N0158J
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM154069
PNG
(US9012443, 70 | US9012443, 72)
Show SMILES FC(F)(F)c1ccc(c(c1)C1=CCNCC1)-c1nccc2cc(ccc12)S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C24H19F3N4O2S2/c25-24(26,27)17-1-3-20(21(14-17)15-5-8-28-9-6-15)22-19-4-2-18(13-16(19)7-10-29-22)35(32,33)31-23-30-11-12-34-23/h1-5,7,10-14,28H,6,8-9H2,(H,30,31)
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n/an/a 15n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
293 Cells stably transfected with either Nav 1.7 or Nav 1.5 were recorded in population patch-clamp mode with the IonWorks Quattro automated electrop...


US Patent US9012443 (2015)


BindingDB Entry DOI: 10.7270/Q2N0158J
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM154153
PNG
(US9012443, 161)
Show SMILES COc1cc(Cl)c(Cl)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C20H14Cl2N4O3S/c1-29-18-10-17(22)16(21)9-15(18)20-14-3-2-13(8-12(14)4-7-24-20)30(27,28)26-19-5-6-23-11-25-19/h2-11H,1H3,(H,23,25,26)
PDB

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US Patent
n/an/a 20n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
293 Cells stably transfected with either Nav 1.7 or Nav 1.5 were recorded in population patch-clamp mode with the IonWorks Quattro automated electrop...


US Patent US9012443 (2015)


BindingDB Entry DOI: 10.7270/Q2N0158J
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM154190
PNG
(US9012443, 199)
Show SMILES COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1)-c1cccc(F)c1
Show InChI InChI=1S/C26H19FN4O3S/c1-34-24-15-18(17-3-2-4-20(27)13-17)5-7-23(24)26-22-8-6-21(14-19(22)9-12-29-26)35(32,33)31-25-10-11-28-16-30-25/h2-16H,1H3,(H,28,30,31)
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n/an/a 20n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
293 Cells stably transfected with either Nav 1.7 or Nav 1.5 were recorded in population patch-clamp mode with the IonWorks Quattro automated electrop...


US Patent US9012443 (2015)


BindingDB Entry DOI: 10.7270/Q2N0158J
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM154192
PNG
(US9012443, 201)
Show SMILES COc1cc(Cl)ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C19H14ClN3O3S2/c1-26-17-11-13(20)2-4-16(17)18-15-5-3-14(10-12(15)6-7-21-18)28(24,25)23-19-22-8-9-27-19/h2-11H,1H3,(H,22,23)
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Amgen Inc

US Patent


Assay Description
293 Cells stably transfected with either Nav 1.7 or Nav 1.5 were recorded in population patch-clamp mode with the IonWorks Quattro automated electrop...


US Patent US9012443 (2015)


BindingDB Entry DOI: 10.7270/Q2N0158J
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM154477
PNG
(US9012443, 205)
Show SMILES COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1nccs1)C#N
Show InChI InChI=1S/C20H14N4O3S2/c1-27-18-10-13(12-21)2-4-17(18)19-16-5-3-15(11-14(16)6-7-22-19)29(25,26)24-20-23-8-9-28-20/h2-11H,1H3,(H,23,24)
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Amgen Inc

US Patent


Assay Description
293 Cells stably transfected with either Nav 1.7 or Nav 1.5 were recorded in population patch-clamp mode with the IonWorks Quattro automated electrop...


US Patent US9012443 (2015)


BindingDB Entry DOI: 10.7270/Q2N0158J
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM154201
PNG
(US9012443, 214)
Show SMILES COc1cc(ccc1-c1ncc(F)c2cc(ccc12)S(=O)(=O)Nc1nccs1)C#N
Show InChI InChI=1S/C20H13FN4O3S2/c1-28-18-8-12(10-22)2-4-15(18)19-14-5-3-13(9-16(14)17(21)11-24-19)30(26,27)25-20-23-6-7-29-20/h2-9,11H,1H3,(H,23,25)
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Amgen Inc

US Patent


Assay Description
293 Cells stably transfected with either Nav 1.7 or Nav 1.5 were recorded in population patch-clamp mode with the IonWorks Quattro automated electrop...


US Patent US9012443 (2015)


BindingDB Entry DOI: 10.7270/Q2N0158J
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM154202
PNG
(US9012443, 215)
Show SMILES COc1cc(Cl)ccc1-c1ncc(F)c2cc(ccc12)S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C19H13ClFN3O3S2/c1-27-17-8-11(20)2-4-14(17)18-13-5-3-12(9-15(13)16(21)10-23-18)29(25,26)24-19-22-6-7-28-19/h2-10H,1H3,(H,22,24)
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Amgen Inc

US Patent


Assay Description
293 Cells stably transfected with either Nav 1.7 or Nav 1.5 were recorded in population patch-clamp mode with the IonWorks Quattro automated electrop...


US Patent US9012443 (2015)


BindingDB Entry DOI: 10.7270/Q2N0158J
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM154211
PNG
(US9012443, 224)
Show SMILES COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)F
Show InChI InChI=1S/C20H15F2N3O3S2/c1-28-17-11-13(19(21)22)2-4-16(17)18-15-5-3-14(10-12(15)6-7-23-18)30(26,27)25-20-24-8-9-29-20/h2-11,19H,1H3,(H,24,25)
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Amgen Inc

US Patent


Assay Description
293 Cells stably transfected with either Nav 1.7 or Nav 1.5 were recorded in population patch-clamp mode with the IonWorks Quattro automated electrop...


US Patent US9012443 (2015)


BindingDB Entry DOI: 10.7270/Q2N0158J
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM154237
PNG
(US9012443, 253)
Show SMILES COc1cc(ccc1-c1nncc2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F
Show InChI InChI=1S/C19H13F3N4O3S2/c1-29-16-9-12(19(20,21)22)2-4-15(16)17-14-5-3-13(8-11(14)10-24-25-17)31(27,28)26-18-23-6-7-30-18/h2-10H,1H3,(H,23,26)
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Amgen Inc

US Patent


Assay Description
293 Cells stably transfected with either Nav 1.7 or Nav 1.5 were recorded in population patch-clamp mode with the IonWorks Quattro automated electrop...


US Patent US9012443 (2015)


BindingDB Entry DOI: 10.7270/Q2N0158J
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM154239
PNG
(US9012443, 255)
Show SMILES COc1cc(ccc1-c1nncc2cc(ccc12)S(=O)(=O)Nc1ncc(F)s1)C(F)(F)F
Show InChI InChI=1S/C19H12F4N4O3S2/c1-30-15-7-11(19(21,22)23)2-4-14(15)17-13-5-3-12(6-10(13)8-25-26-17)32(28,29)27-18-24-9-16(20)31-18/h2-9H,1H3,(H,24,27)
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Amgen Inc

US Patent


Assay Description
293 Cells stably transfected with either Nav 1.7 or Nav 1.5 were recorded in population patch-clamp mode with the IonWorks Quattro automated electrop...


US Patent US9012443 (2015)


BindingDB Entry DOI: 10.7270/Q2N0158J
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM154249
PNG
(US9012443, 265)
Show SMILES COc1cc(ccc1-c1ncnc2cc(ccc12)S(=O)(=O)Nc1ncns1)C(F)(F)F
Show InChI InChI=1S/C18H12F3N5O3S2/c1-29-15-6-10(18(19,20)21)2-4-13(15)16-12-5-3-11(7-14(12)22-8-23-16)31(27,28)26-17-24-9-25-30-17/h2-9H,1H3,(H,24,25,26)
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Amgen Inc

US Patent


Assay Description
293 Cells stably transfected with either Nav 1.7 or Nav 1.5 were recorded in population patch-clamp mode with the IonWorks Quattro automated electrop...


US Patent US9012443 (2015)


BindingDB Entry DOI: 10.7270/Q2N0158J
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM154253
PNG
(US9012443, 269)
Show SMILES COc1cc(ccc1-c1ncnc2cc(ccc12)S(=O)(=O)Nc1nccs1)C#N
Show InChI InChI=1S/C19H13N5O3S2/c1-27-17-8-12(10-20)2-4-15(17)18-14-5-3-13(9-16(14)22-11-23-18)29(25,26)24-19-21-6-7-28-19/h2-9,11H,1H3,(H,21,24)
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Amgen Inc

US Patent


Assay Description
293 Cells stably transfected with either Nav 1.7 or Nav 1.5 were recorded in population patch-clamp mode with the IonWorks Quattro automated electrop...


US Patent US9012443 (2015)


BindingDB Entry DOI: 10.7270/Q2N0158J
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM154257
PNG
(US9012443, 273)
Show SMILES COc1cc(ccc1-c1ccnc2cc(ccc12)S(=O)(=O)Nc1nccs1)C#N
Show InChI InChI=1S/C20H14N4O3S2/c1-27-19-10-13(12-21)2-4-17(19)15-6-7-22-18-11-14(3-5-16(15)18)29(25,26)24-20-23-8-9-28-20/h2-11H,1H3,(H,23,24)
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Amgen Inc

US Patent


Assay Description
293 Cells stably transfected with either Nav 1.7 or Nav 1.5 were recorded in population patch-clamp mode with the IonWorks Quattro automated electrop...


US Patent US9012443 (2015)


BindingDB Entry DOI: 10.7270/Q2N0158J
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM154209
PNG
(US9012443, 222)
Show SMILES CNc1cc2cc(ccc2c(n1)-c1ccc(cc1OC)C(F)(F)F)S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C21H17F3N4O3S2/c1-25-18-10-12-9-14(33(29,30)28-20-26-7-8-32-20)4-6-15(12)19(27-18)16-5-3-13(21(22,23)24)11-17(16)31-2/h3-11H,1-2H3,(H,25,27)(H,26,28)
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Amgen Inc

US Patent


Assay Description
293 Cells stably transfected with either Nav 1.7 or Nav 1.5 were recorded in population patch-clamp mode with the IonWorks Quattro automated electrop...


US Patent US9012443 (2015)


BindingDB Entry DOI: 10.7270/Q2N0158J
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM154028
PNG
(US9012443, 21)
Show SMILES FC(F)(F)c1ccc(c(c1)-c1cn[nH]c1)-c1cccc2cc(ccc12)S(=O)(=O)Nc1ncns1
Show InChI InChI=1S/C22H14F3N5O2S2/c23-22(24,25)15-4-6-19(20(9-15)14-10-27-28-11-14)18-3-1-2-13-8-16(5-7-17(13)18)34(31,32)30-21-26-12-29-33-21/h1-12H,(H,27,28)(H,26,29,30)
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Amgen Inc

US Patent


Assay Description
293 Cells stably transfected with either Nav 1.7 or Nav 1.5 were recorded in population patch-clamp mode with the IonWorks Quattro automated electrop...


US Patent US9012443 (2015)


BindingDB Entry DOI: 10.7270/Q2N0158J
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM154033
PNG
(US9012443, 26)
Show SMILES Clc1ccc(c(c1)C1=CCNCC1)-c1cccc2cc(ccc12)S(=O)(=O)Nc1ncns1
Show InChI InChI=1S/C23H19ClN4O2S2/c24-17-4-6-21(22(13-17)15-8-10-25-11-9-15)20-3-1-2-16-12-18(5-7-19(16)20)32(29,30)28-23-26-14-27-31-23/h1-8,12-14,25H,9-11H2,(H,26,27,28)
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Amgen Inc

US Patent


Assay Description
293 Cells stably transfected with either Nav 1.7 or Nav 1.5 were recorded in population patch-clamp mode with the IonWorks Quattro automated electrop...


US Patent US9012443 (2015)


BindingDB Entry DOI: 10.7270/Q2N0158J
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM154034
PNG
(US9012443, 27)
Show SMILES Clc1ccc(c(c1)-c1cn[nH]c1)-c1cccc2cc(ccc12)S(=O)(=O)Nc1ncns1
Show InChI InChI=1S/C21H14ClN5O2S2/c22-15-4-6-19(20(9-15)14-10-24-25-11-14)18-3-1-2-13-8-16(5-7-17(13)18)31(28,29)27-21-23-12-26-30-21/h1-12H,(H,24,25)(H,23,26,27)
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Amgen Inc

US Patent


Assay Description
293 Cells stably transfected with either Nav 1.7 or Nav 1.5 were recorded in population patch-clamp mode with the IonWorks Quattro automated electrop...


US Patent US9012443 (2015)


BindingDB Entry DOI: 10.7270/Q2N0158J
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM154070
PNG
(US9012443, 71)
Show SMILES FC(F)(F)c1ccc(c(c1)-c1ccncc1)-c1nccc2cc(ccc12)S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C24H15F3N4O2S2/c25-24(26,27)17-1-3-20(21(14-17)15-5-8-28-9-6-15)22-19-4-2-18(13-16(19)7-10-29-22)35(32,33)31-23-30-11-12-34-23/h1-14H,(H,30,31)
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Amgen Inc

US Patent


Assay Description
293 Cells stably transfected with either Nav 1.7 or Nav 1.5 were recorded in population patch-clamp mode with the IonWorks Quattro automated electrop...


US Patent US9012443 (2015)


BindingDB Entry DOI: 10.7270/Q2N0158J
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM154083
PNG
(US9012443, 88)
Show SMILES O=S(=O)(Nc1ncns1)c1ccc2c(cccc2c1)N1CCCC1c1ccncc1
Show InChI InChI=1/C21H19N5O2S2/c27-30(28,25-21-23-14-24-29-21)17-6-7-18-16(13-17)3-1-4-20(18)26-12-2-5-19(26)15-8-10-22-11-9-15/h1,3-4,6-11,13-14,19H,2,5,12H2,(H,23,24,25)
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Amgen Inc

US Patent


Assay Description
293 Cells stably transfected with either Nav 1.7 or Nav 1.5 were recorded in population patch-clamp mode with the IonWorks Quattro automated electrop...


US Patent US9012443 (2015)


BindingDB Entry DOI: 10.7270/Q2N0158J
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM154112
PNG
(US9012443, 119)
Show SMILES FC(F)(F)c1ccc(c(c1)C1=CCNC1)-c1cccc2cc(ccc12)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C25H19F3N4O2S/c26-25(27,28)18-4-6-22(23(13-18)17-8-10-29-14-17)21-3-1-2-16-12-19(5-7-20(16)21)35(33,34)32-24-9-11-30-15-31-24/h1-9,11-13,15,29H,10,14H2,(H,30,31,32)
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Amgen Inc

US Patent


Assay Description
293 Cells stably transfected with either Nav 1.7 or Nav 1.5 were recorded in population patch-clamp mode with the IonWorks Quattro automated electrop...


US Patent US9012443 (2015)


BindingDB Entry DOI: 10.7270/Q2N0158J
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM154145
PNG
(US9012443, 153)
Show SMILES COc1cc(OC(F)(F)F)ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C21H15F3N4O4S/c1-31-18-11-14(32-21(22,23)24)2-4-17(18)20-16-5-3-15(10-13(16)6-9-26-20)33(29,30)28-19-7-8-25-12-27-19/h2-12H,1H3,(H,25,27,28)
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Amgen Inc

US Patent


Assay Description
293 Cells stably transfected with either Nav 1.7 or Nav 1.5 were recorded in population patch-clamp mode with the IonWorks Quattro automated electrop...


US Patent US9012443 (2015)


BindingDB Entry DOI: 10.7270/Q2N0158J
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM154152
PNG
(US9012443, 160)
Show SMILES COc1cc(Cl)ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C20H15ClN4O3S/c1-28-18-11-14(21)2-4-17(18)20-16-5-3-15(10-13(16)6-9-23-20)29(26,27)25-19-7-8-22-12-24-19/h2-12H,1H3,(H,22,24,25)
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Amgen Inc

US Patent


Assay Description
293 Cells stably transfected with either Nav 1.7 or Nav 1.5 were recorded in population patch-clamp mode with the IonWorks Quattro automated electrop...


US Patent US9012443 (2015)


BindingDB Entry DOI: 10.7270/Q2N0158J
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM154160
PNG
(US9012443, 168)
Show SMILES COc1ncc(Cl)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C19H14ClN5O3S/c1-28-19-16(9-13(20)10-23-19)18-15-3-2-14(8-12(15)4-7-22-18)29(26,27)25-17-5-6-21-11-24-17/h2-11H,1H3,(H,21,24,25)
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Amgen Inc

US Patent


Assay Description
293 Cells stably transfected with either Nav 1.7 or Nav 1.5 were recorded in population patch-clamp mode with the IonWorks Quattro automated electrop...


US Patent US9012443 (2015)


BindingDB Entry DOI: 10.7270/Q2N0158J
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM154147
PNG
(US9012443, 155)
Show SMILES COc1cc2ccccc2cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1S/C24H18N4O3S/c1-31-22-14-17-5-3-2-4-16(17)13-21(22)24-20-7-6-19(12-18(20)8-11-26-24)32(29,30)28-23-9-10-25-15-27-23/h2-15H,1H3,(H,25,27,28)
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Amgen Inc

US Patent


Assay Description
293 Cells stably transfected with either Nav 1.7 or Nav 1.5 were recorded in population patch-clamp mode with the IonWorks Quattro automated electrop...


US Patent US9012443 (2015)


BindingDB Entry DOI: 10.7270/Q2N0158J
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM154191
PNG
(US9012443, 200)
Show SMILES COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1)-c1cccc(c1)C#N
Show InChI InChI=1S/C27H19N5O3S/c1-35-25-15-20(19-4-2-3-18(13-19)16-28)5-7-24(25)27-23-8-6-22(14-21(23)9-12-30-27)36(33,34)32-26-10-11-29-17-31-26/h2-15,17H,1H3,(H,29,31,32)
PDB

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US Patent
n/an/a 30n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
293 Cells stably transfected with either Nav 1.7 or Nav 1.5 were recorded in population patch-clamp mode with the IonWorks Quattro automated electrop...


US Patent US9012443 (2015)


BindingDB Entry DOI: 10.7270/Q2N0158J
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM154476
PNG
(US9012443, 204)
Show SMILES COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1nccs1)-c1cccnc1
Show InChI InChI=1S/C24H18N4O3S2/c1-31-22-14-16(18-3-2-9-25-15-18)4-6-21(22)23-20-7-5-19(13-17(20)8-10-26-23)33(29,30)28-24-27-11-12-32-24/h2-15H,1H3,(H,27,28)
PDB

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US Patent
n/an/a 30n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
293 Cells stably transfected with either Nav 1.7 or Nav 1.5 were recorded in population patch-clamp mode with the IonWorks Quattro automated electrop...


US Patent US9012443 (2015)


BindingDB Entry DOI: 10.7270/Q2N0158J
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM154212
PNG
(US9012443, 225)
Show SMILES COCc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F
Show InChI InChI=1S/C21H16F3N3O3S2/c1-30-12-14-10-15(21(22,23)24)2-4-18(14)19-17-5-3-16(11-13(17)6-7-25-19)32(28,29)27-20-26-8-9-31-20/h2-11H,12H2,1H3,(H,26,27)
PDB

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US Patent
n/an/a 30n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
293 Cells stably transfected with either Nav 1.7 or Nav 1.5 were recorded in population patch-clamp mode with the IonWorks Quattro automated electrop...


US Patent US9012443 (2015)


BindingDB Entry DOI: 10.7270/Q2N0158J
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM154216
PNG
(US9012443, 230)
Show SMILES OCC(O)Cc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F
Show InChI InChI=1/C22H18F3N3O4S2/c23-22(24,25)15-1-3-19(14(9-15)10-16(30)12-29)20-18-4-2-17(11-13(18)5-6-26-20)34(31,32)28-21-27-7-8-33-21/h1-9,11,16,29-30H,10,12H2,(H,27,28)
PDB

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US Patent
n/an/a 30n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
293 Cells stably transfected with either Nav 1.7 or Nav 1.5 were recorded in population patch-clamp mode with the IonWorks Quattro automated electrop...


US Patent US9012443 (2015)


BindingDB Entry DOI: 10.7270/Q2N0158J
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM154233
PNG
(US9012443, 249)
Show SMILES COc1cc(Cl)ccc1-c1nncc2cc(ccc12)S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C18H13ClN4O3S2/c1-26-16-9-12(19)2-4-15(16)17-14-5-3-13(8-11(14)10-21-22-17)28(24,25)23-18-20-6-7-27-18/h2-10H,1H3,(H,20,23)
PDB

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US Patent
n/an/a 30n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
293 Cells stably transfected with either Nav 1.7 or Nav 1.5 were recorded in population patch-clamp mode with the IonWorks Quattro automated electrop...


US Patent US9012443 (2015)


BindingDB Entry DOI: 10.7270/Q2N0158J
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM154258
PNG
(US9012443, 274)
Show SMILES COc1cc(F)ccc1-c1ccnc2cc(ccc12)S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C19H14FN3O3S2/c1-26-18-10-12(20)2-4-16(18)14-6-7-21-17-11-13(3-5-15(14)17)28(24,25)23-19-22-8-9-27-19/h2-11H,1H3,(H,22,23)
PDB

KEGG

UniProtKB/SwissProt

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US Patent
n/an/a 30n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
293 Cells stably transfected with either Nav 1.7 or Nav 1.5 were recorded in population patch-clamp mode with the IonWorks Quattro automated electrop...


US Patent US9012443 (2015)


BindingDB Entry DOI: 10.7270/Q2N0158J
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM154199
PNG
(US9012443, 212)
Show SMILES COc1cc(ccc1-c1ncc(F)c2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F
Show InChI InChI=1S/C20H13F4N3O3S2/c1-30-17-8-11(20(22,23)24)2-4-14(17)18-13-5-3-12(9-15(13)16(21)10-26-18)32(28,29)27-19-25-6-7-31-19/h2-10H,1H3,(H,25,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 30n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
293 Cells stably transfected with either Nav 1.7 or Nav 1.5 were recorded in population patch-clamp mode with the IonWorks Quattro automated electrop...


US Patent US9012443 (2015)


BindingDB Entry DOI: 10.7270/Q2N0158J
More data for this
Ligand-Target Pair
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