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Compile Data Set for Download or QSAR

Found 2446 hits with Last Name = 'grimwood' and Initial = 'me'   
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))
BDBM71464
PNG
(US9546164, 495 | US9694002, 495)
Show SMILES CC(C)(N1CCC[C@H](C1)Oc1cc(F)c(cc1C1CC1)C(=O)NS(=O)(=O)C1CC1)c1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1/C27H31Cl2FN2O4S/c1-27(2,17-10-18(28)12-19(29)11-17)32-9-3-4-20(15-32)36-25-14-24(30)23(13-22(25)16-5-6-16)26(33)31-37(34,35)21-7-8-21/h10-14,16,20-21H,3-9,15H2,1-2H3,(H,31,33)/t20-/s2
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n/an/a 0.200n/an/an/an/a7.425



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent


Assay Description
Binding of this radioligand was preformed in 5 mL borosilicate glass test tubes at room temperature. Binding was initiated by adding membranes to inc...


US Patent US9694002 (2017)


BindingDB Entry DOI: 10.7270/Q24B2ZFG
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM71464
PNG
(US9546164, 495 | US9694002, 495)
Show SMILES CC(C)(N1CCC[C@H](C1)Oc1cc(F)c(cc1C1CC1)C(=O)NS(=O)(=O)C1CC1)c1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1/C27H31Cl2FN2O4S/c1-27(2,17-10-18(28)12-19(29)11-17)32-9-3-4-20(15-32)36-25-14-24(30)23(13-22(25)16-5-6-16)26(33)31-37(34,35)21-7-8-21/h10-14,16,20-21H,3-9,15H2,1-2H3,(H,31,33)/t20-/s2
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n/an/a 0.200n/an/an/an/a7.2n/a



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent




US Patent US9546164 (2017)


BindingDB Entry DOI: 10.7270/Q2JD4ZS4
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Mus musculus)
BDBM50169425
PNG
(CHEMBL3341983 | US9481677, 44)
Show SMILES Nc1noc2ccc(cc12)-c1cc(Cl)ccc1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1
Show InChI InChI=1S/C21H12ClF2N5O4S2/c22-11-2-4-16(12(6-11)10-1-3-17-13(5-10)20(25)28-33-17)32-18-7-15(24)19(8-14(18)23)35(30,31)29-21-26-9-27-34-21/h1-9H,(H2,25,28)(H,26,27,29)
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n/an/a 0.200n/an/an/an/an/an/a



Xenon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 channel in mouse CAD cells by whole-cell patch clamp assay


ACS Med Chem Lett 7: 277-82 (2016)


BindingDB Entry DOI: 10.7270/Q2J1052W
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.2 (Nav1.2)


(Homo sapiens (Human))
BDBM50118514
PNG
(CHEMBL3617063 | US9481677, 38)
Show SMILES Nc1nc2cc(ccc2[nH]1)-c1cc(Cl)ccc1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1
Show InChI InChI=1S/C21H13ClF2N6O3S2/c22-11-2-4-17(12(6-11)10-1-3-15-16(5-10)29-20(25)28-15)33-18-7-14(24)19(8-13(18)23)35(31,32)30-21-26-9-27-34-21/h1-9H,(H3,25,28,29)(H,26,27,30)
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n/an/a 0.200n/an/an/an/an/an/a



Xenon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length human Nav1.2 channel expressed in HEK cells co-expressing human sodium channel subunit beta1 at holding potential -35 mV by...


ACS Med Chem Lett 7: 277-82 (2016)


BindingDB Entry DOI: 10.7270/Q2J1052W
More data for this
Ligand-Target Pair
Sodium Channel Complex


(Homo sapiens (Human))
BDBM71381
PNG
(US9546164, 440 | US9694002, 440)
Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(Cc3cc(Cl)cc(Cl)c3)C2)cc1F |r|
Show InChI InChI=1/C23H25Cl2FN2O4S/c1-33(30,31)27-23(29)20-10-19(15-4-5-15)22(11-21(20)26)32-18-3-2-6-28(13-18)12-14-7-16(24)9-17(25)8-14/h7-11,15,18H,2-6,12-13H2,1H3,(H,27,29)/t18-/s2
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n/an/a 0.300n/an/an/an/a7.425



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent


Assay Description
Binding of this radioligand was preformed in 5 mL borosilicate glass test tubes at room temperature. Binding was initiated by adding membranes to inc...


US Patent US9694002 (2017)


BindingDB Entry DOI: 10.7270/Q24B2ZFG
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM145281
PNG
(US8952169, 60 | US9771376, Example 60)
Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F |TLB:25:16:23:19.20.21,THB:15:16:23:19.20.21,25:20:23:16.24.17,24:16:19:23.22.21,24:22:19:16.25.17|
Show InChI InChI=1S/C22H28FNO4S/c1-29(26,27)24-21(25)18-7-17(16-2-3-16)20(8-19(18)23)28-12-22-9-13-4-14(10-22)6-15(5-13)11-22/h7-8,13-16H,2-6,9-12H2,1H3,(H,24,25)
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n/an/a 0.300n/an/an/an/an/a37



Xenon Pharmaceuticals Inc.; Genentech, Inc.

US Patent


Assay Description
Patch voltage clamp electrophysiology allows for the direct measurement and quantification of block of voltage-gated sodium channels (NaV's), and all...


US Patent US8952169 (2015)


BindingDB Entry DOI: 10.7270/Q2M04445
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM145281
PNG
(US8952169, 60 | US9771376, Example 60)
Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F |TLB:25:16:23:19.20.21,THB:15:16:23:19.20.21,25:20:23:16.24.17,24:16:19:23.22.21,24:22:19:16.25.17|
Show InChI InChI=1S/C22H28FNO4S/c1-29(26,27)24-21(25)18-7-17(16-2-3-16)20(8-19(18)23)28-12-22-9-13-4-14(10-22)6-15(5-13)11-22/h7-8,13-16H,2-6,9-12H2,1H3,(H,24,25)
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n/an/a 0.300n/an/an/an/an/an/a



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent




US Patent US9771376 (2017)

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


(Homo sapiens (Human))
BDBM275877
PNG
(US10071957, Example 96)
Show SMILES Fc1cc(COc2cc(Cl)cc(Cl)c2)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1
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n/an/a 0.300n/an/an/an/a7.425



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent




US Patent US10071957 (2018)


BindingDB Entry DOI: 10.7270/Q2J1056P
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM71381
PNG
(US9546164, 440 | US9694002, 440)
Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(Cc3cc(Cl)cc(Cl)c3)C2)cc1F |r|
Show InChI InChI=1/C23H25Cl2FN2O4S/c1-33(30,31)27-23(29)20-10-19(15-4-5-15)22(11-21(20)26)32-18-3-2-6-28(13-18)12-14-7-16(24)9-17(25)8-14/h7-11,15,18H,2-6,12-13H2,1H3,(H,27,29)/t18-/s2
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n/an/a 0.300n/an/an/an/a7.425



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent




US Patent US9546164 (2017)


BindingDB Entry DOI: 10.7270/Q2JD4ZS4
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50118514
PNG
(CHEMBL3617063 | US9481677, 38)
Show SMILES Nc1nc2cc(ccc2[nH]1)-c1cc(Cl)ccc1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1
Show InChI InChI=1S/C21H13ClF2N6O3S2/c22-11-2-4-17(12(6-11)10-1-3-15-16(5-10)29-20(25)28-15)33-18-7-14(24)19(8-13(18)23)35(31,32)30-21-26-9-27-34-21/h1-9H,(H3,25,28,29)(H,26,27,30)
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n/an/a 0.300n/an/an/an/an/an/a



Xenon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length human Nav1.7 channel expressed in HEK cells co-expressing human sodium channel subunit beta3 at -150 mV by manual voltage c...


ACS Med Chem Lett 7: 277-82 (2016)


BindingDB Entry DOI: 10.7270/Q2J1052W
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50118514
PNG
(CHEMBL3617063 | US9481677, 38)
Show SMILES Nc1nc2cc(ccc2[nH]1)-c1cc(Cl)ccc1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1
Show InChI InChI=1S/C21H13ClF2N6O3S2/c22-11-2-4-17(12(6-11)10-1-3-15-16(5-10)29-20(25)28-15)33-18-7-14(24)19(8-13(18)23)35(31,32)30-21-26-9-27-34-21/h1-9H,(H3,25,28,29)(H,26,27,30)
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Xenon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length human Nav1.7 channel expressed in HEK cells co-expressing human sodium channel subunit beta1 at holding potential -60 mV by...


ACS Med Chem Lett 7: 277-82 (2016)


BindingDB Entry DOI: 10.7270/Q2J1052W
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50169425
PNG
(CHEMBL3341983 | US9481677, 44)
Show SMILES Nc1noc2ccc(cc12)-c1cc(Cl)ccc1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1
Show InChI InChI=1S/C21H12ClF2N5O4S2/c22-11-2-4-16(12(6-11)10-1-3-17-13(5-10)20(25)28-33-17)32-18-7-15(24)19(8-14(18)23)35(30,31)29-21-26-9-27-34-21/h1-9H,(H2,25,28)(H,26,27,29)
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n/an/a 0.400n/an/an/an/an/an/a



Xenon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length human Nav1.7 channel expressed in HEK cells co-expressing human sodium channel subunit beta1 at holding potential -60 mV by...


ACS Med Chem Lett 7: 277-82 (2016)


BindingDB Entry DOI: 10.7270/Q2J1052W
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM145285
PNG
(US8952169, 64 | US9771376, Example 64)
Show SMILES Fc1cc(OCC23CC4CC(CC(C4)C2)C3)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1 |TLB:5:6:9:13.12.11,15:6:13:9.10.11,THB:15:10:13:6.14.7,14:6:9:13.12.11,14:12:9:6.15.7|
Show InChI InChI=1S/C24H31FN2O4S/c25-21-10-22(31-14-24-11-15-6-16(12-24)8-17(7-15)13-24)19(18-2-3-18)9-20(21)23(28)26-32(29,30)27-4-1-5-27/h9-10,15-18H,1-8,11-14H2,(H,26,28)
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n/an/a 0.400n/an/an/an/an/an/a



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent




US Patent US9771376 (2017)

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


(Homo sapiens (Human))
BDBM50169425
PNG
(CHEMBL3341983 | US9481677, 44)
Show SMILES Nc1noc2ccc(cc12)-c1cc(Cl)ccc1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1
Show InChI InChI=1S/C21H12ClF2N5O4S2/c22-11-2-4-16(12(6-11)10-1-3-17-13(5-10)20(25)28-33-17)32-18-7-15(24)19(8-14(18)23)35(30,31)29-21-26-9-27-34-21/h1-9H,(H2,25,28)(H,26,27,29)
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Xenon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length human Nav1.7 channel expressed in HEK cells co-expressing human sodium channel subunit beta3 at -150 mV by manual voltage c...


ACS Med Chem Lett 7: 277-82 (2016)


BindingDB Entry DOI: 10.7270/Q2J1052W
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM145285
PNG
(US8952169, 64 | US9771376, Example 64)
Show SMILES Fc1cc(OCC23CC4CC(CC(C4)C2)C3)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1 |TLB:5:6:9:13.12.11,15:6:13:9.10.11,THB:15:10:13:6.14.7,14:6:9:13.12.11,14:12:9:6.15.7|
Show InChI InChI=1S/C24H31FN2O4S/c25-21-10-22(31-14-24-11-15-6-16(12-24)8-17(7-15)13-24)19(18-2-3-18)9-20(21)23(28)26-32(29,30)27-4-1-5-27/h9-10,15-18H,1-8,11-14H2,(H,26,28)
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n/an/a 0.400n/an/an/an/an/a37



Xenon Pharmaceuticals Inc.; Genentech, Inc.

US Patent


Assay Description
Patch voltage clamp electrophysiology allows for the direct measurement and quantification of block of voltage-gated sodium channels (NaV's), and all...


US Patent US8952169 (2015)


BindingDB Entry DOI: 10.7270/Q2M04445
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50169426
PNG
(CHEMBL3806065 | US9481677, 69)
Show SMILES CNc1noc2ccc(cc12)-c1cc(Cl)ccc1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1
Show InChI InChI=1S/C22H14ClF2N5O4S2/c1-26-21-14-6-11(2-4-18(14)34-29-21)13-7-12(23)3-5-17(13)33-19-8-16(25)20(9-15(19)24)36(31,32)30-22-27-10-28-35-22/h2-10H,1H3,(H,26,29)(H,27,28,30)
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n/an/a 0.5n/an/an/an/an/an/a



Xenon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length human Nav1.7 channel expressed in HEK cells co-expressing human sodium channel subunit beta1 at holding potential -60 mV by...


ACS Med Chem Lett 7: 277-82 (2016)


BindingDB Entry DOI: 10.7270/Q2J1052W
More data for this
Ligand-Target Pair
Sodium Channel Complex


(Homo sapiens (Human))
BDBM71340
PNG
(US9546164, 411 | US9694002, 411)
Show SMILES Fc1cc(OCC2CCN(CC2)C(c2ccccc2)c2cc(Cl)cc(Cl)c2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
Show InChI InChI=1/C32H33Cl2FN2O4S/c33-24-14-23(15-25(34)16-24)31(22-4-2-1-3-5-22)37-12-10-20(11-13-37)19-41-30-18-29(35)28(17-27(30)21-6-7-21)32(38)36-42(39,40)26-8-9-26/h1-5,14-18,20-21,26,31H,6-13,19H2,(H,36,38)
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n/an/a 0.800n/an/an/an/a7.425



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent


Assay Description
Binding of this radioligand was preformed in 5 mL borosilicate glass test tubes at room temperature. Binding was initiated by adding membranes to inc...


US Patent US9694002 (2017)


BindingDB Entry DOI: 10.7270/Q24B2ZFG
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM50118514
PNG
(CHEMBL3617063 | US9481677, 38)
Show SMILES Nc1nc2cc(ccc2[nH]1)-c1cc(Cl)ccc1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1
Show InChI InChI=1S/C21H13ClF2N6O3S2/c22-11-2-4-17(12(6-11)10-1-3-15-16(5-10)29-20(25)28-15)33-18-7-14(24)19(8-13(18)23)35(31,32)30-21-26-9-27-34-21/h1-9H,(H3,25,28,29)(H,26,27,30)
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Xenon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length human Nav1.6 channel expressed in HEK cells co-expressing human sodium channel subunit beta1 at holding potential -35 mV by...


ACS Med Chem Lett 7: 277-82 (2016)


BindingDB Entry DOI: 10.7270/Q2J1052W
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM71340
PNG
(US9546164, 411 | US9694002, 411)
Show SMILES Fc1cc(OCC2CCN(CC2)C(c2ccccc2)c2cc(Cl)cc(Cl)c2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
Show InChI InChI=1/C32H33Cl2FN2O4S/c33-24-14-23(15-25(34)16-24)31(22-4-2-1-3-5-22)37-12-10-20(11-13-37)19-41-30-18-29(35)28(17-27(30)21-6-7-21)32(38)36-42(39,40)26-8-9-26/h1-5,14-18,20-21,26,31H,6-13,19H2,(H,36,38)
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n/an/a 0.800n/an/an/an/a7.425



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent




US Patent US9546164 (2017)


BindingDB Entry DOI: 10.7270/Q2JD4ZS4
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM70845
PNG
(US9546164, 6 | US9694002, 27)
Show SMILES Fc1cc(O[C@@H]2CCCN(Cc3cccc(Cl)c3)C2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1 |r|
Show InChI InChI=1/C25H28ClFN2O4S/c26-18-4-1-3-16(11-18)14-29-10-2-5-19(15-29)33-24-13-23(27)22(12-21(24)17-6-7-17)25(30)28-34(31,32)20-8-9-20/h1,3-4,11-13,17,19-20H,2,5-10,14-15H2,(H,28,30)/t19-/s2
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n/an/a 0.900n/an/an/an/a7.2n/a



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent




US Patent US9546164 (2017)


BindingDB Entry DOI: 10.7270/Q2JD4ZS4
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM70816
PNG
(US9546164, 4 | US9694002, 6)
Show SMILES Fc1ccc(CN2CCC[C@H](C2)Oc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)N2CCC2)c(Cl)c1 |r|
Show InChI InChI=1/C25H28ClF2N3O4S/c26-22-11-18(27)7-6-17(22)14-30-8-1-3-19(15-30)35-24-13-23(28)21(12-20(24)16-4-5-16)25(32)29-36(33,34)31-9-2-10-31/h6-7,11-13,16,19H,1-5,8-10,14-15H2,(H,29,32)/t19-/s2
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n/an/a 0.900n/an/an/an/a7.425



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent


Assay Description
Binding of this radioligand was preformed in 5 mL borosilicate glass test tubes at room temperature. Binding was initiated by adding membranes to inc...


US Patent US9694002 (2017)


BindingDB Entry DOI: 10.7270/Q24B2ZFG
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50024248
PNG
(CHEMBL3325528)
Show SMILES Fc1cc(ccc1Cl)[C@H]1CCNC[C@@H]1COc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1 |r|
Show InChI InChI=1/C20H18ClF3N4O3S2/c21-14-2-1-11(5-15(14)22)13-3-4-25-8-12(13)9-31-18-6-17(24)19(7-16(18)23)33(29,30)28-20-26-10-27-32-20/h1-2,5-7,10,12-13,25H,3-4,8-9H2,(H,26,27,28)/t12-,13-/s2
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Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK cells assessed as reduction in sodium current at -60 mV holding potential by PatchXpress platform based w...


Bioorg Med Chem Lett 24: 4397-401 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.017
BindingDB Entry DOI: 10.7270/Q2FF3TX9
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM145412
PNG
(US8952169, 191)
Show SMILES Fc1cc(OCC2C3CC4CC(C3)CC2C4)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1 |TLB:5:6:8:10.11.12,THB:13:14:8:10.11.12,13:11:8:14.15.6,6:14:10:8.7.12,6:7:10:14.13.15,(.14,4.04,;.14,2.5,;-1.2,1.73,;-1.2,.19,;-2.53,-.58,;-3.86,.19,;-5.2,-.58,;-6.52,.19,;-7.86,-.58,;-7.86,-2.12,;-8.69,-4.02,;-7.3,-3.37,;-7.28,-.97,;-6.09,-4.04,;-5.2,-2.12,;-6.52,-2.89,;.14,-.58,;1.47,.19,;1.47,1.73,;2.81,2.5,;2.81,4.04,;4.14,1.73,;5.47,2.5,;4.7,3.84,;6.24,3.84,;6.81,1.73,;7.2,.25,;8.69,.64,;8.29,2.13,;.14,-2.12,;-.63,-3.45,;.91,-3.45,)|
Show InChI InChI=1S/C24H31FN2O4S/c25-22-12-23(31-13-21-17-7-14-6-15(9-17)10-18(21)8-14)19(16-2-3-16)11-20(22)24(28)26-32(29,30)27-4-1-5-27/h11-12,14-18,21H,1-10,13H2,(H,26,28)
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n/an/a 1n/an/an/an/a7.425



Xenon Pharmaceuticals Inc.; Genentech, Inc.

US Patent


Assay Description
Radioligand Binding Studies: Saturation experiments. A representative compound of formula (I) was tritiated. Three tritiums were incorporated in plac...


US Patent US8952169 (2015)


BindingDB Entry DOI: 10.7270/Q2M04445
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM71211
PNG
(US9546164, 312 | US9694002, 312)
Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)cc1F |r|
Show InChI InChI=1/C23H25ClF2N2O4S/c1-33(30,31)27-23(29)19-10-18(14-4-5-14)22(11-21(19)26)32-17-3-2-8-28(13-17)12-15-6-7-16(25)9-20(15)24/h6-7,9-11,14,17H,2-5,8,12-13H2,1H3,(H,27,29)/t17-/s2
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n/an/a<1n/an/an/an/a7.425



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent


Assay Description
Binding of this radioligand was preformed in 5 mL borosilicate glass test tubes at room temperature. Binding was initiated by adding membranes to inc...


US Patent US9694002 (2017)


BindingDB Entry DOI: 10.7270/Q24B2ZFG
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM47139
PNG
(US8952169, 175 | US8952169, 295)
Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCCCC2)cc1F
Show InChI InChI=1S/C18H24FNO4S/c1-25(22,23)20-18(21)15-9-14(13-7-8-13)17(10-16(15)19)24-11-12-5-3-2-4-6-12/h9-10,12-13H,2-8,11H2,1H3,(H,20,21)
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n/an/a 1n/an/an/an/an/a37



Xenon Pharmaceuticals Inc.; Genentech, Inc.

US Patent


Assay Description
Patch voltage clamp electrophysiology allows for the direct measurement and quantification of block of voltage-gated sodium channels (NaV's), and all...


US Patent US8952169 (2015)


BindingDB Entry DOI: 10.7270/Q2M04445
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM145281
PNG
(US8952169, 60 | US9771376, Example 60)
Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F |TLB:25:16:23:19.20.21,THB:15:16:23:19.20.21,25:20:23:16.24.17,24:16:19:23.22.21,24:22:19:16.25.17|
Show InChI InChI=1S/C22H28FNO4S/c1-29(26,27)24-21(25)18-7-17(16-2-3-16)20(8-19(18)23)28-12-22-9-13-4-14(10-22)6-15(5-13)11-22/h7-8,13-16H,2-6,9-12H2,1H3,(H,24,25)
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n/an/a 1n/an/an/an/a7.425



Xenon Pharmaceuticals Inc.; Genentech, Inc.

US Patent


Assay Description
Radioligand Binding Studies: Saturation experiments. A representative compound of formula (I) was tritiated. Three tritiums were incorporated in plac...


US Patent US8952169 (2015)


BindingDB Entry DOI: 10.7270/Q2M04445
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM71211
PNG
(US9546164, 312 | US9694002, 312)
Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)cc1F |r|
Show InChI InChI=1/C23H25ClF2N2O4S/c1-33(30,31)27-23(29)19-10-18(14-4-5-14)22(11-21(19)26)32-17-3-2-8-28(13-17)12-15-6-7-16(25)9-20(15)24/h6-7,9-11,14,17H,2-5,8,12-13H2,1H3,(H,27,29)/t17-/s2
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n/an/a<1n/an/an/an/a7.2n/a



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent




US Patent US9546164 (2017)


BindingDB Entry DOI: 10.7270/Q2JD4ZS4
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM47141
PNG
(US8952169, 185 | US8952169, 297)
Show SMILES Fc1cc(OCC2CCCCC2)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1
Show InChI InChI=1S/C20H27FN2O4S/c21-18-12-19(27-13-14-5-2-1-3-6-14)16(15-7-8-15)11-17(18)20(24)22-28(25,26)23-9-4-10-23/h11-12,14-15H,1-10,13H2,(H,22,24)
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n/an/a 1n/an/an/an/an/a37



Xenon Pharmaceuticals Inc.; Genentech, Inc.

US Patent


Assay Description
Patch voltage clamp electrophysiology allows for the direct measurement and quantification of block of voltage-gated sodium channels (NaV's), and all...


US Patent US8952169 (2015)


BindingDB Entry DOI: 10.7270/Q2M04445
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM145384
PNG
(US8952169, 163)
Show SMILES CCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F |TLB:26:17:24:20.21.22,THB:16:17:24:20.21.22,26:21:24:17.25.18,25:17:20:24.23.22,25:23:20:17.26.18|
Show InChI InChI=1S/C23H30FNO4S/c1-2-30(27,28)25-22(26)19-8-18(17-3-4-17)21(9-20(19)24)29-13-23-10-14-5-15(11-23)7-16(6-14)12-23/h8-9,14-17H,2-7,10-13H2,1H3,(H,25,26)
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n/an/a 1n/an/an/an/a7.425



Xenon Pharmaceuticals Inc.; Genentech, Inc.

US Patent


Assay Description
Radioligand Binding Studies: Saturation experiments. A representative compound of formula (I) was tritiated. Three tritiums were incorporated in plac...


US Patent US8952169 (2015)


BindingDB Entry DOI: 10.7270/Q2M04445
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM145374
PNG
(US8952169, 153)
Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC23CC4CC(C2)C(F)(F)C(C4)C3)cc1F |TLB:15:16:22:19.18.26,THB:17:16:22:19.18.26,17:18:22:16.27.21,27:16:19:22.25.26,27:25:19:16.17.21|
Show InChI InChI=1/C22H26F3NO4S/c1-31(28,29)26-20(27)17-6-16(13-2-3-13)19(7-18(17)23)30-11-21-8-12-4-14(9-21)22(24,25)15(5-12)10-21/h6-7,12-15H,2-5,8-11H2,1H3,(H,26,27)
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n/an/a 1n/an/an/an/a7.425



Xenon Pharmaceuticals Inc.; Genentech, Inc.

US Patent


Assay Description
Radioligand Binding Studies: Saturation experiments. A representative compound of formula (I) was tritiated. Three tritiums were incorporated in plac...


US Patent US8952169 (2015)


BindingDB Entry DOI: 10.7270/Q2M04445
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM145371
PNG
(US8952169, 150 | US9771376, Example 150)
Show SMILES FC1CN(C1)S(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F |TLB:29:20:27:23.24.25,THB:19:20:27:23.24.25,29:24:27:20.28.21,28:20:23:27.26.25,28:26:23:20.29.21|
Show InChI InChI=1S/C24H30F2N2O4S/c25-18-11-28(12-18)33(30,31)27-23(29)20-6-19(17-1-2-17)22(7-21(20)26)32-13-24-8-14-3-15(9-24)5-16(4-14)10-24/h6-7,14-18H,1-5,8-13H2,(H,27,29)
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n/an/a 1n/an/an/an/a7.425



Xenon Pharmaceuticals Inc.; Genentech, Inc.

US Patent


Assay Description
Radioligand Binding Studies: Saturation experiments. A representative compound of formula (I) was tritiated. Three tritiums were incorporated in plac...


US Patent US8952169 (2015)


BindingDB Entry DOI: 10.7270/Q2M04445
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM145369
PNG
(US8952169, 148 | US9771376, Example 148)
Show SMILES Fc1cc(OCC23CC4CC(CC(C4)C2)C3)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1 |TLB:15:6:13:9.10.11,THB:5:6:13:9.10.11,15:10:13:6.14.7,14:6:9:13.12.11,14:12:9:6.15.7|
Show InChI InChI=1S/C24H30FNO4S/c25-21-9-22(30-13-24-10-14-5-15(11-24)7-16(6-14)12-24)19(17-1-2-17)8-20(21)23(27)26-31(28,29)18-3-4-18/h8-9,14-18H,1-7,10-13H2,(H,26,27)
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n/an/a 1n/an/an/an/a7.425



Xenon Pharmaceuticals Inc.; Genentech, Inc.

US Patent


Assay Description
Radioligand Binding Studies: Saturation experiments. A representative compound of formula (I) was tritiated. Three tritiums were incorporated in plac...


US Patent US8952169 (2015)


BindingDB Entry DOI: 10.7270/Q2M04445
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50024246
PNG
(CHEMBL3325526 | US9630929, Example 77)
Show SMILES Fc1cc(c(F)cc1OC[C@H]1CNCC[C@@H]1c1ccc(Cl)cc1)S(=O)(=O)Nc1ncns1 |r|
Show InChI InChI=1/C20H19ClF2N4O3S2/c21-14-3-1-12(2-4-14)15-5-6-24-9-13(15)10-30-18-7-17(23)19(8-16(18)22)32(28,29)27-20-25-11-26-31-20/h1-4,7-8,11,13,15,24H,5-6,9-10H2,(H,25,26,27)/t13-,15-/s2
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Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK cells assessed as reduction in sodium current at -60 mV holding potential by PatchXpress platform based w...


Bioorg Med Chem Lett 24: 4397-401 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.017
BindingDB Entry DOI: 10.7270/Q2FF3TX9
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM71351
PNG
(US9546164, 422 | US9694002, 422)
Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(Cc3cc(Cl)cc(OC(F)(F)F)c3)C2)cc1F |r|
Show InChI InChI=1/C24H25ClF4N2O5S/c1-37(33,34)30-23(32)20-10-19(15-4-5-15)22(11-21(20)26)35-17-3-2-6-31(13-17)12-14-7-16(25)9-18(8-14)36-24(27,28)29/h7-11,15,17H,2-6,12-13H2,1H3,(H,30,32)/t17-/s2
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n/an/a 1.30n/an/an/an/a7.425



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent




US Patent US9546164 (2017)


BindingDB Entry DOI: 10.7270/Q2JD4ZS4
More data for this
Ligand-Target Pair
Sodium Channel Complex


(Homo sapiens (Human))
BDBM71351
PNG
(US9546164, 422 | US9694002, 422)
Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(Cc3cc(Cl)cc(OC(F)(F)F)c3)C2)cc1F |r|
Show InChI InChI=1/C24H25ClF4N2O5S/c1-37(33,34)30-23(32)20-10-19(15-4-5-15)22(11-21(20)26)35-17-3-2-6-31(13-17)12-14-7-16(25)9-18(8-14)36-24(27,28)29/h7-11,15,17H,2-6,12-13H2,1H3,(H,30,32)/t17-/s2
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n/an/a 1.30n/an/an/an/a7.425



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent


Assay Description
Binding of this radioligand was preformed in 5 mL borosilicate glass test tubes at room temperature. Binding was initiated by adding membranes to inc...


US Patent US9694002 (2017)


BindingDB Entry DOI: 10.7270/Q24B2ZFG
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM145307
PNG
(US8952169, 86 | US9771376, Example 86)
Show SMILES CS(=O)(=O)NC(=O)c1ccc(OCC23CC4CC(CC(C4)C2)C3)c(c1)C1CC1 |TLB:12:13:16:20.19.18,22:13:20:16.17.18,THB:21:13:16:20.19.18,21:19:16:13.22.14,22:17:20:13.21.14|
Show InChI InChI=1S/C22H29NO4S/c1-28(25,26)23-21(24)18-4-5-20(19(9-18)17-2-3-17)27-13-22-10-14-6-15(11-22)8-16(7-14)12-22/h4-5,9,14-17H,2-3,6-8,10-13H2,1H3,(H,23,24)
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n/an/a 1.31n/an/an/an/an/a37



Xenon Pharmaceuticals Inc.; Genentech, Inc.

US Patent


Assay Description
Patch voltage clamp electrophysiology allows for the direct measurement and quantification of block of voltage-gated sodium channels (NaV's), and all...


US Patent US8952169 (2015)


BindingDB Entry DOI: 10.7270/Q2M04445
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM145307
PNG
(US8952169, 86 | US9771376, Example 86)
Show SMILES CS(=O)(=O)NC(=O)c1ccc(OCC23CC4CC(CC(C4)C2)C3)c(c1)C1CC1 |TLB:12:13:16:20.19.18,22:13:20:16.17.18,THB:21:13:16:20.19.18,21:19:16:13.22.14,22:17:20:13.21.14|
Show InChI InChI=1S/C22H29NO4S/c1-28(25,26)23-21(24)18-4-5-20(19(9-18)17-2-3-17)27-13-22-10-14-6-15(11-22)8-16(7-14)12-22/h4-5,9,14-17H,2-3,6-8,10-13H2,1H3,(H,23,24)
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n/an/a 1.31n/an/an/an/an/an/a



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent




US Patent US9771376 (2017)

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


(Homo sapiens (Human))
BDBM145369
PNG
(US8952169, 148 | US9771376, Example 148)
Show SMILES Fc1cc(OCC23CC4CC(CC(C4)C2)C3)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1 |TLB:15:6:13:9.10.11,THB:5:6:13:9.10.11,15:10:13:6.14.7,14:6:9:13.12.11,14:12:9:6.15.7|
Show InChI InChI=1S/C24H30FNO4S/c25-21-9-22(30-13-24-10-14-5-15(11-24)7-16(6-14)12-24)19(17-1-2-17)8-20(21)23(27)26-31(28,29)18-3-4-18/h8-9,14-18H,1-7,10-13H2,(H,26,27)
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n/an/a 1.40n/an/an/an/an/an/a



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent




US Patent US9771376 (2017)

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


(Homo sapiens (Human))
BDBM145369
PNG
(US8952169, 148 | US9771376, Example 148)
Show SMILES Fc1cc(OCC23CC4CC(CC(C4)C2)C3)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1 |TLB:15:6:13:9.10.11,THB:5:6:13:9.10.11,15:10:13:6.14.7,14:6:9:13.12.11,14:12:9:6.15.7|
Show InChI InChI=1S/C24H30FNO4S/c25-21-9-22(30-13-24-10-14-5-15(11-24)7-16(6-14)12-24)19(17-1-2-17)8-20(21)23(27)26-31(28,29)18-3-4-18/h8-9,14-18H,1-7,10-13H2,(H,26,27)
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n/an/a 1.40n/an/an/an/an/a37



Xenon Pharmaceuticals Inc.; Genentech, Inc.

US Patent


Assay Description
Patch voltage clamp electrophysiology allows for the direct measurement and quantification of block of voltage-gated sodium channels (NaV's), and all...


US Patent US8952169 (2015)


BindingDB Entry DOI: 10.7270/Q2M04445
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM71341
PNG
(US9546164, 412 | US9694002, 412)
Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)C(c2ccccc2)c2cc(Cl)cc(Cl)c2)cc1F
Show InChI InChI=1/C30H31Cl2FN2O4S/c1-40(37,38)34-30(36)26-16-25(20-7-8-20)28(17-27(26)33)39-18-19-9-11-35(12-10-19)29(21-5-3-2-4-6-21)22-13-23(31)15-24(32)14-22/h2-6,13-17,19-20,29H,7-12,18H2,1H3,(H,34,36)
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n/an/a 1.5n/an/an/an/a7.425



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent




US Patent US9546164 (2017)


BindingDB Entry DOI: 10.7270/Q2JD4ZS4
More data for this
Ligand-Target Pair
Sodium Channel Complex


(Homo sapiens (Human))
BDBM71341
PNG
(US9546164, 412 | US9694002, 412)
Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)C(c2ccccc2)c2cc(Cl)cc(Cl)c2)cc1F
Show InChI InChI=1/C30H31Cl2FN2O4S/c1-40(37,38)34-30(36)26-16-25(20-7-8-20)28(17-27(26)33)39-18-19-9-11-35(12-10-19)29(21-5-3-2-4-6-21)22-13-23(31)15-24(32)14-22/h2-6,13-17,19-20,29H,7-12,18H2,1H3,(H,34,36)
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n/an/a 1.5n/an/an/an/a7.425



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent


Assay Description
Binding of this radioligand was preformed in 5 mL borosilicate glass test tubes at room temperature. Binding was initiated by adding membranes to inc...


US Patent US9694002 (2017)


BindingDB Entry DOI: 10.7270/Q24B2ZFG
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM145641
PNG
(US8952169, 446)
Show SMILES Fc1cc(OCC2(CCCCC2)C(F)(F)F)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
Show InChI InChI=1S/C21H25F4NO4S/c22-17-11-18(30-12-20(21(23,24)25)8-2-1-3-9-20)15(13-4-5-13)10-16(17)19(27)26-31(28,29)14-6-7-14/h10-11,13-14H,1-9,12H2,(H,26,27)
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n/an/a 1.60n/an/an/an/a7.425



Xenon Pharmaceuticals Inc.; Genentech, Inc.

US Patent


Assay Description
Radioligand Binding Studies: Saturation experiments. A representative compound of formula (I) was tritiated. Three tritiums were incorporated in plac...


US Patent US8952169 (2015)


BindingDB Entry DOI: 10.7270/Q2M04445
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM71193
PNG
(US9546164, 300 | US9694002, 300)
Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)C(c2ccc(F)cc2Cl)C(F)(F)F)cc1F
Show InChI InChI=1/C25H26ClF5N2O4S/c1-38(35,36)32-24(34)19-11-18(15-2-3-15)22(12-21(19)28)37-13-14-6-8-33(9-7-14)23(25(29,30)31)17-5-4-16(27)10-20(17)26/h4-5,10-12,14-15,23H,2-3,6-9,13H2,1H3,(H,32,34)
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n/an/a 1.60n/an/an/an/a7.425



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent




US Patent US9546164 (2017)


BindingDB Entry DOI: 10.7270/Q2JD4ZS4
More data for this
Ligand-Target Pair
Sodium Channel Complex


(Homo sapiens (Human))
BDBM71055
PNG
(US9546164, 202 | US9694002, 202)
Show SMILES COC[C@@](C)(N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1/C27H33Cl2FN2O5S/c1-27(16-36-2,19-10-20(28)12-21(29)11-19)32-8-6-17(7-9-32)15-37-25-14-24(30)23(13-22(25)18-4-5-18)26(33)31-38(3,34)35/h10-14,17-18H,4-9,15-16H2,1-3H3,(H,31,33)/t27-/s2
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n/an/a 1.60n/an/an/an/a7.425



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent


Assay Description
Binding of this radioligand was preformed in 5 mL borosilicate glass test tubes at room temperature. Binding was initiated by adding membranes to inc...


US Patent US9694002 (2017)


BindingDB Entry DOI: 10.7270/Q24B2ZFG
More data for this
Ligand-Target Pair
Sodium Channel Complex


(Homo sapiens (Human))
BDBM70878
PNG
(US9546164, 52 | US9694002, 52)
Show SMILES C[C@@H]1CC[C@H](CN1Cc1ccc(F)cc1Cl)Oc1cc(F)c(cc1C1CC1)C(=O)NS(C)(=O)=O |r|
Show InChI InChI=1/C24H27ClF2N2O4S/c1-14-3-8-18(13-29(14)12-16-6-7-17(26)9-21(16)25)33-23-11-22(27)20(10-19(23)15-4-5-15)24(30)28-34(2,31)32/h6-7,9-11,14-15,18H,3-5,8,12-13H2,1-2H3,(H,28,30)/t14-,18-/s2
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n/an/a<1.60n/an/an/an/a7.425



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent


Assay Description
Binding of this radioligand was preformed in 5 mL borosilicate glass test tubes at room temperature. Binding was initiated by adding membranes to inc...


US Patent US9694002 (2017)


BindingDB Entry DOI: 10.7270/Q24B2ZFG
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM71101
PNG
(US9546164, 236 | US9694002, 236)
Show SMILES C[C@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1F |r|
Show InChI InChI=1/C25H28Cl2F2N2O4S/c1-14(18-9-17(26)10-21(27)24(18)29)31-7-5-15(6-8-31)13-35-23-12-22(28)20(11-19(23)16-3-4-16)25(32)30-36(2,33)34/h9-12,14-16H,3-8,13H2,1-2H3,(H,30,32)/t14-/s2
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n/an/a 1.60n/an/an/an/a7.425



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent




US Patent US9546164 (2017)


BindingDB Entry DOI: 10.7270/Q2JD4ZS4
More data for this
Ligand-Target Pair
Sodium Channel Complex


(Homo sapiens (Human))
BDBM71193
PNG
(US9546164, 300 | US9694002, 300)
Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)C(c2ccc(F)cc2Cl)C(F)(F)F)cc1F
Show InChI InChI=1/C25H26ClF5N2O4S/c1-38(35,36)32-24(34)19-11-18(15-2-3-15)22(12-21(19)28)37-13-14-6-8-33(9-7-14)23(25(29,30)31)17-5-4-16(27)10-20(17)26/h4-5,10-12,14-15,23H,2-3,6-9,13H2,1H3,(H,32,34)
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n/an/a 1.60n/an/an/an/a7.425



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent


Assay Description
Binding of this radioligand was preformed in 5 mL borosilicate glass test tubes at room temperature. Binding was initiated by adding membranes to inc...


US Patent US9694002 (2017)


BindingDB Entry DOI: 10.7270/Q24B2ZFG
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM71055
PNG
(US9546164, 202 | US9694002, 202)
Show SMILES COC[C@@](C)(N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1/C27H33Cl2FN2O5S/c1-27(16-36-2,19-10-20(28)12-21(29)11-19)32-8-6-17(7-9-32)15-37-25-14-24(30)23(13-22(25)18-4-5-18)26(33)31-38(3,34)35/h10-14,17-18H,4-9,15-16H2,1-3H3,(H,31,33)/t27-/s2
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n/an/a 1.60n/an/an/an/a7.425



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent




US Patent US9546164 (2017)


BindingDB Entry DOI: 10.7270/Q2JD4ZS4
More data for this
Ligand-Target Pair
Sodium Channel Complex


(Homo sapiens (Human))
BDBM71101
PNG
(US9546164, 236 | US9694002, 236)
Show SMILES C[C@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1F |r|
Show InChI InChI=1/C25H28Cl2F2N2O4S/c1-14(18-9-17(26)10-21(27)24(18)29)31-7-5-15(6-8-31)13-35-23-12-22(28)20(11-19(23)16-3-4-16)25(32)30-36(2,33)34/h9-12,14-16H,3-8,13H2,1-2H3,(H,30,32)/t14-/s2
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n/an/a 1.60n/an/an/an/a7.425



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent


Assay Description
Binding of this radioligand was preformed in 5 mL borosilicate glass test tubes at room temperature. Binding was initiated by adding membranes to inc...


US Patent US9694002 (2017)


BindingDB Entry DOI: 10.7270/Q24B2ZFG
More data for this
Ligand-Target Pair
Sodium Channel Complex


(Homo sapiens (Human))
BDBM71063
PNG
(US9546164, 208 | US9694002, 208)
Show SMILES CCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)[C@@H](c2cc(Cl)cc(Cl)c2)C(C)(C)OC)cc1F |r|
Show InChI InChI=1/C29H37Cl2FN2O5S/c1-5-40(36,37)33-28(35)24-15-23(19-6-7-19)26(16-25(24)32)39-17-18-8-10-34(11-9-18)27(29(2,3)38-4)20-12-21(30)14-22(31)13-20/h12-16,18-19,27H,5-11,17H2,1-4H3,(H,33,35)/t27-/s2
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n/an/a 1.60n/an/an/an/a7.425



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent


Assay Description
Binding of this radioligand was preformed in 5 mL borosilicate glass test tubes at room temperature. Binding was initiated by adding membranes to inc...


US Patent US9694002 (2017)


BindingDB Entry DOI: 10.7270/Q24B2ZFG
More data for this
Ligand-Target Pair
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