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Compile Data Set for Download or QSAR

Found 648 hits Enz. Inhib. hit(s) with all data for entry = 27   
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=1S/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-/m1/s1
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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 1/10/11/2/3/4/5/8/9 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=1S/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-/m1/s1
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US Patent
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 1/10/11/2/3/4/5/8/9 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=1S/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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US Patent
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 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=1S/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-/m1/s1
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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))
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=1S/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-/m1/s1
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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 1/10/11/2/3/4/5/8/9 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=1S/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-/m1/s1
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US Patent
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 1/10/11/2/3/4/5/8/9 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=1S/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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US Patent
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 1/10/11/2/3/4/5/8/9 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=1S/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-/m1/s1
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US Patent
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 1/10/11/2/3/4/5/8/9 subunit alpha


(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=1S/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-/m1/s1
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US Patent
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 1/10/11/2/3/4/5/8/9 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=1S/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-/m0/s1
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US Patent
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 1/10/11/2/3/4/5/8/9 subunit alpha


(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=1S/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-/m0/s1
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US Patent
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 1/10/11/2/3/4/5/8/9 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=1S/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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US Patent
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 1/10/11/2/3/4/5/8/9 subunit alpha


(Homo sapiens (Human))
BDBM71067
PNG
(US9546164, 211 | US9694002, 211)
Show SMILES C[C@H](N1CCC(C)(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1S/C26H31Cl2FN2O4S/c1-16(18-10-19(27)12-20(28)11-18)31-8-6-26(2,7-9-31)15-35-24-14-23(29)22(13-21(24)17-4-5-17)25(32)30-36(3,33)34/h10-14,16-17H,4-9,15H2,1-3H3,(H,30,32)/t16-/m0/s1
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US Patent
n/an/a 1.70n/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 1/10/11/2/3/4/5/8/9 subunit alpha


(Homo sapiens (Human))
BDBM71064
PNG
(US9546164, 209 | US9694002, 209)
Show SMILES CC(C)(N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C26H31Cl2FN2O4S/c1-26(2,18-10-19(27)12-20(28)11-18)31-8-6-16(7-9-31)15-35-24-14-23(29)22(13-21(24)17-4-5-17)25(32)30-36(3,33)34/h10-14,16-17H,4-9,15H2,1-3H3,(H,30,32)
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US Patent
n/an/a 1.70n/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 1/10/11/2/3/4/5/8/9 subunit alpha


(Homo sapiens (Human))
BDBM70836
PNG
(US9694002, 23)
Show SMILES Fc1cc(O[C@@H]2CCCN(Cc3ccccc3Cl)C2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1 |r|
Show InChI InChI=1S/C25H28ClFN2O4S/c26-22-6-2-1-4-17(22)14-29-11-3-5-18(15-29)33-24-13-23(27)21(12-20(24)16-7-8-16)25(30)28-34(31,32)19-9-10-19/h1-2,4,6,12-13,16,18-19H,3,5,7-11,14-15H2,(H,28,30)/t18-/m1/s1
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US Patent
n/an/a 1.70n/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 1/10/11/2/3/4/5/8/9 subunit alpha


(Homo sapiens (Human))
BDBM70848
PNG
(US9694002, 29)
Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)cc1F |r|
Show InChI InChI=1S/C23H25Cl2FN2O4S/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(24)9-20(15)25/h6-7,9-11,14,17H,2-5,8,12-13H2,1H3,(H,27,29)/t17-/m1/s1
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US Patent
n/an/a 1.70n/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 1/10/11/2/3/4/5/8/9 subunit alpha


(Homo sapiens (Human))
BDBM71062
PNG
(US9546164, 207 | US9694002, 207)
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=1S/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-/m1/s1
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n/an/a 1.70n/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 1/10/11/2/3/4/5/8/9 subunit alpha


(Homo sapiens (Human))
BDBM71061
PNG
(US9546164, 206 | US9694002, 206)
Show SMILES COC(C)(C)[C@@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1S/C28H35Cl2FN2O5S/c1-28(2,37-3)26(19-11-20(29)13-21(30)12-19)33-9-7-17(8-10-33)16-38-25-15-24(31)23(14-22(25)18-5-6-18)27(34)32-39(4,35)36/h11-15,17-18,26H,5-10,16H2,1-4H3,(H,32,34)/t26-/m0/s1
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n/an/a 1.80n/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))
BDBM71429
PNG
(US9694002, 475)
Show SMILES Fc1cc(CN2[C@H]3CC[C@@H]2CC(C3)Oc2cc(Cl)cc(Cl)c2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1 |r,TLB:4:5:7.8:10.12.11|
Show InChI InChI=1S/C27H29Cl2FN2O4S/c28-17-8-18(29)10-21(9-17)36-22-11-19-3-4-20(12-22)32(19)14-16-7-26(30)25(13-24(16)15-1-2-15)27(33)31-37(34,35)23-5-6-23/h7-10,13,15,19-20,22-23H,1-6,11-12,14H2,(H,31,33)/t19-,20+,22?
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n/an/a 1.80n/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 1/10/11/2/3/4/5/8/9 subunit alpha


(Homo sapiens (Human))
BDBM70876
PNG
(US9546164, 50 | US9694002, 50 | US9694002, 51)
Show SMILES C[C@H](N1CCC[C@H](C1)Oc1cc(F)c(cc1C1CC1)C(=O)NS(C)(=O)=O)c1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1S/C24H27Cl2FN2O4S/c1-14(16-8-17(25)10-18(26)9-16)29-7-3-4-19(13-29)33-23-12-22(27)21(11-20(23)15-5-6-15)24(30)28-34(2,31)32/h8-12,14-15,19H,3-7,13H2,1-2H3,(H,28,30)/t14-,19+/m0/s1
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n/an/a 1.90n/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 1/10/11/2/3/4/5/8/9 subunit alpha


(Homo sapiens (Human))
BDBM71065
PNG
(US9546164, 210 | US9694002, 210)
Show SMILES CCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)C(C)(C)c2cc(Cl)cc(Cl)c2)cc1F
Show InChI InChI=1S/C27H33Cl2FN2O4S/c1-4-37(34,35)31-26(33)23-14-22(18-5-6-18)25(15-24(23)30)36-16-17-7-9-32(10-8-17)27(2,3)19-11-20(28)13-21(29)12-19/h11-15,17-18H,4-10,16H2,1-3H3,(H,31,33)
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n/an/a 1.90n/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 1/10/11/2/3/4/5/8/9 subunit alpha


(Homo sapiens (Human))
BDBM71224
PNG
(US9546164, 323 | US9694002, 323)
Show SMILES C[C@@H]1CC[C@H](CN1Cc1ccc(F)cc1Cl)Oc1cc(F)c(cc1C1CC1)C(=O)NS(=O)(=O)C1CC1 |r|
Show InChI InChI=1S/C26H29ClF2N2O4S/c1-15-2-7-19(14-31(15)13-17-5-6-18(28)10-23(17)27)35-25-12-24(29)22(11-21(25)16-3-4-16)26(32)30-36(33,34)20-8-9-20/h5-6,10-12,15-16,19-20H,2-4,7-9,13-14H2,1H3,(H,30,32)/t15-,19-/m1/s1
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n/an/a 1.90n/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 1/10/11/2/3/4/5/8/9 subunit alpha


(Homo sapiens (Human))
BDBM71222
PNG
(US9546164, 322 | US9694002, 322)
Show SMILES C[C@@H]1CC[C@H](CN1Cc1ccc(F)cc1Cl)Oc1cc(F)c(cc1C1CC1)C(=O)NS(=O)(=O)N1CCC1 |r|
Show InChI InChI=1S/C26H30ClF2N3O4S/c1-16-3-8-20(15-31(16)14-18-6-7-19(28)11-23(18)27)36-25-13-24(29)22(12-21(25)17-4-5-17)26(33)30-37(34,35)32-9-2-10-32/h6-7,11-13,16-17,20H,2-5,8-10,14-15H2,1H3,(H,30,33)/t16-,20-/m1/s1
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n/an/a 1.90n/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 1/10/11/2/3/4/5/8/9 subunit alpha


(Homo sapiens (Human))
BDBM71192
PNG
(US9546164, 299 | US9694002, 299)
Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)C(c2cc(Cl)cc(Cl)c2)C(F)(F)F)cc1F
Show InChI InChI=1S/C25H26Cl2F4N2O4S/c1-38(35,36)32-24(34)20-11-19(15-2-3-15)22(12-21(20)28)37-13-14-4-6-33(7-5-14)23(25(29,30)31)16-8-17(26)10-18(27)9-16/h8-12,14-15,23H,2-7,13H2,1H3,(H,32,34)
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n/an/a 1.90n/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 1/10/11/2/3/4/5/8/9 subunit alpha


(Homo sapiens (Human))
BDBM70982
PNG
(US9546164, 136 | US9694002, 136)
Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3cc(Cl)cc(OC(F)(F)F)c3)CC2)cc1F
Show InChI InChI=1S/C25H27ClF4N2O5S/c1-38(34,35)31-24(33)21-11-20(17-2-3-17)23(12-22(21)27)36-14-15-4-6-32(7-5-15)13-16-8-18(26)10-19(9-16)37-25(28,29)30/h8-12,15,17H,2-7,13-14H2,1H3,(H,31,33)
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n/an/a 1.90n/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 1/10/11/2/3/4/5/8/9 subunit alpha


(Homo sapiens (Human))
BDBM70855
PNG
(US9694002, 34)
Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(Cc3ccc(F)cc3C(F)(F)F)C2)cc1F |r|
Show InChI InChI=1S/C24H25F5N2O4S/c1-36(33,34)30-23(32)19-10-18(14-4-5-14)22(11-21(19)26)35-17-3-2-8-31(13-17)12-15-6-7-16(25)9-20(15)24(27,28)29/h6-7,9-11,14,17H,2-5,8,12-13H2,1H3,(H,30,32)/t17-/m1/s1
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n/an/a 1.90n/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 1/10/11/2/3/4/5/8/9 subunit alpha


(Homo sapiens (Human))
BDBM71271
PNG
(US9546164, 352 | US9694002, 352)
Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)C(c2cccc(Cl)c2)c2cccc(Cl)c2)cc1F
Show InChI InChI=1S/C30H31Cl2FN2O4S/c1-40(37,38)34-30(36)26-16-25(20-8-9-20)28(17-27(26)33)39-18-19-10-12-35(13-11-19)29(21-4-2-6-23(31)14-21)22-5-3-7-24(32)15-22/h2-7,14-17,19-20,29H,8-13,18H2,1H3,(H,34,36)
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n/an/a 2n/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 1/10/11/2/3/4/5/8/9 subunit alpha


(Homo sapiens (Human))
BDBM71006
PNG
(US9546164, 155 | US9694002, 155)
Show SMILES CCC(N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C26H31Cl2FN2O4S/c1-3-24(18-10-19(27)12-20(28)11-18)31-8-6-16(7-9-31)15-35-25-14-23(29)22(13-21(25)17-4-5-17)26(32)30-36(2,33)34/h10-14,16-17,24H,3-9,15H2,1-2H3,(H,30,32)
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n/an/a 2n/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 1/10/11/2/3/4/5/8/9 subunit alpha


(Homo sapiens (Human))
BDBM71285
PNG
(US9546164, 361 | US9694002, 361)
Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)cc1F
Show InChI InChI=1S/C30H31Cl2FN2O4S/c1-40(37,38)34-30(36)24-16-23(20-10-11-20)28(17-27(24)33)39-18-19-12-14-35(15-13-19)29(21-6-2-4-8-25(21)31)22-7-3-5-9-26(22)32/h2-9,16-17,19-20,29H,10-15,18H2,1H3,(H,34,36)
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n/an/a 2n/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 1/10/11/2/3/4/5/8/9 subunit alpha


(Homo sapiens (Human))
BDBM71352
PNG
(US9546164, 423 | US9694002, 423)
Show SMILES Cc1ccc(CN2CCC[C@H](C2)Oc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)c(C)c1 |r|
Show InChI InChI=1S/C25H31FN2O4S/c1-16-6-7-19(17(2)11-16)14-28-10-4-5-20(15-28)32-24-13-23(26)22(12-21(24)18-8-9-18)25(29)27-33(3,30)31/h6-7,11-13,18,20H,4-5,8-10,14-15H2,1-3H3,(H,27,29)/t20-/m1/s1
PDB

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n/an/a 2.10n/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 1/10/11/2/3/4/5/8/9 subunit alpha


(Homo sapiens (Human))
BDBM70985
PNG
(US9546164, 137 | US9694002, 137)
Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3cc(Cl)cc(c3)C(F)(F)F)CC2)cc1F
Show InChI InChI=1S/C25H27ClF4N2O4S/c1-37(34,35)31-24(33)21-11-20(17-2-3-17)23(12-22(21)27)36-14-15-4-6-32(7-5-15)13-16-8-18(25(28,29)30)10-19(26)9-16/h8-12,15,17H,2-7,13-14H2,1H3,(H,31,33)
PDB

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n/an/a 2.10n/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 1/10/11/2/3/4/5/8/9 subunit alpha


(Homo sapiens (Human))
BDBM70876
PNG
(US9546164, 50 | US9694002, 50 | US9694002, 51)
Show SMILES C[C@H](N1CCC[C@H](C1)Oc1cc(F)c(cc1C1CC1)C(=O)NS(C)(=O)=O)c1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1S/C24H27Cl2FN2O4S/c1-14(16-8-17(25)10-18(26)9-16)29-7-3-4-19(13-29)33-23-12-22(27)21(11-20(23)15-5-6-15)24(30)28-34(2,31)32/h8-12,14-15,19H,3-7,13H2,1-2H3,(H,28,30)/t14-,19+/m0/s1
PDB

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n/an/a 2.10n/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 1/10/11/2/3/4/5/8/9 subunit alpha


(Homo sapiens (Human))
BDBM70946
PNG
(US9546164, 107 | US9694002, 107)
Show SMILES CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CCN(Cc2cc(ccc2C(F)(F)F)C(F)(F)F)CC1
Show InChI InChI=1S/C27H29F7N2O4S/c1-25(15-40-23-13-22(28)20(12-19(23)16-3-4-16)24(37)35-41(2,38)39)7-9-36(10-8-25)14-17-11-18(26(29,30)31)5-6-21(17)27(32,33)34/h5-6,11-13,16H,3-4,7-10,14-15H2,1-2H3,(H,35,37)
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n/an/a 2.10n/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 1/10/11/2/3/4/5/8/9 subunit alpha


(Homo sapiens (Human))
BDBM70866
PNG
(US9694002, 42)
Show SMILES Fc1cc(O[C@@H]2CCCN(C2)c2cc(Cl)cc(Cl)c2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1 |r|
Show InChI InChI=1S/C24H25Cl2FN2O4S/c25-15-8-16(26)10-17(9-15)29-7-1-2-18(13-29)33-23-12-22(27)21(11-20(23)14-3-4-14)24(30)28-34(31,32)19-5-6-19/h8-12,14,18-19H,1-7,13H2,(H,28,30)/t18-/m1/s1
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n/an/a 2.10n/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 1/10/11/2/3/4/5/8/9 subunit alpha


(Homo sapiens (Human))
BDBM71328
PNG
(US9546164, 400 | US9694002, 400)
Show SMILES Fc1cc(OCC2CCN(CC2)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
Show InChI InChI=1S/C32H33Cl2FN2O4S/c33-24-7-3-22(4-8-24)31(23-5-9-25(34)10-6-23)37-15-13-20(14-16-37)19-41-30-18-29(35)28(17-27(30)21-1-2-21)32(38)36-42(39,40)26-11-12-26/h3-10,17-18,20-21,26,31H,1-2,11-16,19H2,(H,36,38)
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n/an/a 2.10n/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 1/10/11/2/3/4/5/8/9 subunit alpha


(Homo sapiens (Human))
BDBM71546
PNG
(US9546164, 556 | US9694002, 556)
Show SMILES CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CCN(CC1)c1cc(c(Cl)cn1)C(F)(F)F
Show InChI InChI=1S/C24H26ClF4N3O4S/c1-23(5-7-32(8-6-23)21-10-17(24(27,28)29)18(25)12-30-21)13-36-20-11-19(26)16(9-15(20)14-3-4-14)22(33)31-37(2,34)35/h9-12,14H,3-8,13H2,1-2H3,(H,31,33)
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n/an/a 2.10n/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 1/10/11/2/3/4/5/8/9 subunit alpha


(Homo sapiens (Human))
BDBM71107
PNG
(US9546164, 238 | US9694002, 238)
Show SMILES C[C@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C25H29Cl2FN2O4S/c1-15(19-6-5-18(26)11-22(19)27)30-9-7-16(8-10-30)14-34-24-13-23(28)21(12-20(24)17-3-4-17)25(31)29-35(2,32)33/h5-6,11-13,15-17H,3-4,7-10,14H2,1-2H3,(H,29,31)/t15-/m0/s1
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n/an/a 2.20n/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 1/10/11/2/3/4/5/8/9 subunit alpha


(Homo sapiens (Human))
BDBM71512
PNG
(US9546164, 531 | US9694002, 531)
Show SMILES NC(=O)c1cc(C2CC2)c(CN2CCC(CC2)Sc2cc(Cl)cc(Cl)c2)cc1F
Show InChI InChI=1S/C22H23Cl2FN2OS/c23-15-8-16(24)10-18(9-15)29-17-3-5-27(6-4-17)12-14-7-21(25)20(22(26)28)11-19(14)13-1-2-13/h7-11,13,17H,1-6,12H2,(H2,26,28)
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n/an/a 2.20n/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 1/10/11/2/3/4/5/8/9 subunit alpha


(Homo sapiens (Human))
BDBM71465
PNG
(US9694002, 496)
Show SMILES Fc1cc(CN2[C@H]3CC[C@@H]2CC(C3)Oc2cc(Cl)cc(OC(F)(F)F)c2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1 |r,TLB:4:5:7.8:10.12.11|
Show InChI InChI=1S/C28H29ClF4N2O5S/c29-17-8-20(12-22(9-17)40-28(31,32)33)39-21-10-18-3-4-19(11-21)35(18)14-16-7-26(30)25(13-24(16)15-1-2-15)27(36)34-41(37,38)23-5-6-23/h7-9,12-13,15,18-19,21,23H,1-6,10-11,14H2,(H,34,36)/t18-,19+,21?
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n/an/a 2.20n/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 1/10/11/2/3/4/5/8/9 subunit alpha


(Homo sapiens (Human))
BDBM71136
PNG
(US9546164, 259 | US9694002, 259)
Show SMILES Fc1cc(OCC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
Show InChI InChI=1S/C26H29Cl2FN2O4S/c27-19-9-17(10-20(28)11-19)14-31-7-5-16(6-8-31)15-35-25-13-24(29)23(12-22(25)18-1-2-18)26(32)30-36(33,34)21-3-4-21/h9-13,16,18,21H,1-8,14-15H2,(H,30,32)
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n/an/a 2.20n/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 1/10/11/2/3/4/5/8/9 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=1S/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-/m1/s1
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n/an/a 2.20n/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))
BDBM71258
PNG
(US9546164, 346 | US9694002, 346)
Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2(F)CCN(Cc3cc(cc(Cl)c3F)C(F)(F)F)CC2)cc1F
Show InChI InChI=1S/C25H25ClF6N2O4S/c1-39(36,37)33-23(35)18-10-17(14-2-3-14)21(11-20(18)27)38-13-24(29)4-6-34(7-5-24)12-15-8-16(25(30,31)32)9-19(26)22(15)28/h8-11,14H,2-7,12-13H2,1H3,(H,33,35)
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n/an/a 2.20n/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 1/10/11/2/3/4/5/8/9 subunit alpha


(Homo sapiens (Human))
BDBM71017
PNG
(US9546164, 165 | US9694002, 165)
Show SMILES COC[C@@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CC1)c1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1S/C28H33Cl2FN2O5S/c1-37-16-26(19-10-20(29)12-21(30)11-19)33-8-6-17(7-9-33)15-38-27-14-25(31)24(13-23(27)18-2-3-18)28(34)32-39(35,36)22-4-5-22/h10-14,17-18,22,26H,2-9,15-16H2,1H3,(H,32,34)/t26-/m1/s1
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n/an/a 2.30n/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 1/10/11/2/3/4/5/8/9 subunit alpha


(Homo sapiens (Human))
BDBM71186
PNG
(US9546164, 295 | US9694002, 295)
Show SMILES C[C@H](N1CCC[C@H](C1)Oc1cc(F)c(cc1C1CC1)C(=O)NS(C)(=O)=O)c1ccc(F)cc1Cl |r|
Show InChI InChI=1S/C24H27ClF2N2O4S/c1-14(18-8-7-16(26)10-21(18)25)29-9-3-4-17(13-29)33-23-12-22(27)20(11-19(23)15-5-6-15)24(30)28-34(2,31)32/h7-8,10-12,14-15,17H,3-6,9,13H2,1-2H3,(H,28,30)/t14-,17+/m0/s1
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n/an/a 2.30n/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 1/10/11/2/3/4/5/8/9 subunit alpha


(Homo sapiens (Human))
BDBM71510
PNG
(US9546164, 530 | US9694002, 529 | US9694002, 530)
Show SMILES CC(C)(N1CCC[C@H](C1)Oc1cc(F)c(cc1C1CC1)C(N)=O)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C24H28ClFN2O2/c1-24(2,16-5-3-6-17(25)11-16)28-10-4-7-18(14-28)30-22-13-21(26)20(23(27)29)12-19(22)15-8-9-15/h3,5-6,11-13,15,18H,4,7-10,14H2,1-2H3,(H2,27,29)/t18-/m1/s1
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n/an/a 2.30n/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 1/10/11/2/3/4/5/8/9 subunit alpha


(Homo sapiens (Human))
BDBM71209
PNG
(US9546164, 310 | US9694002, 310)
Show SMILES C[C@H](N1CCC[C@H](C1)Oc1cc(F)c(cc1C1CC1)C(=O)NS(C)(=O)=O)c1ccc(Cl)c(n1)C1CC1 |r|
Show InChI InChI=1S/C26H31ClFN3O4S/c1-15(23-10-9-21(27)25(29-23)17-7-8-17)31-11-3-4-18(14-31)35-24-13-22(28)20(12-19(24)16-5-6-16)26(32)30-36(2,33)34/h9-10,12-13,15-18H,3-8,11,14H2,1-2H3,(H,30,32)/t15-,18+/m0/s1
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n/an/a 2.30n/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 1/10/11/2/3/4/5/8/9 subunit alpha


(Homo sapiens (Human))
BDBM71349
PNG
(US9546164, 420 | US9694002, 420)
Show SMILES CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CN(C1)C(c1ccccc1)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C29H29Cl2FN2O4S/c1-29(15-34(16-29)27(19-6-4-3-5-7-19)20-10-21(30)12-22(31)11-20)17-38-26-14-25(32)24(13-23(26)18-8-9-18)28(35)33-39(2,36)37/h3-7,10-14,18,27H,8-9,15-17H2,1-2H3,(H,33,35)
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n/an/a 2.40n/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 1/10/11/2/3/4/5/8/9 subunit alpha


(Homo sapiens (Human))
BDBM71510
PNG
(US9546164, 530 | US9694002, 529 | US9694002, 530)
Show SMILES CC(C)(N1CCC[C@H](C1)Oc1cc(F)c(cc1C1CC1)C(N)=O)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C24H28ClFN2O2/c1-24(2,16-5-3-6-17(25)11-16)28-10-4-7-18(14-28)30-22-13-21(26)20(23(27)29)12-19(22)15-8-9-15/h3,5-6,11-13,15,18H,4,7-10,14H2,1-2H3,(H2,27,29)/t18-/m1/s1
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n/an/a 2.40n/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 1/10/11/2/3/4/5/8/9 subunit alpha


(Homo sapiens (Human))
BDBM71228
PNG
(US9546164, 325 | US9694002, 325)
Show SMILES C[C@H]1CC[C@H](CN1Cc1ccc(F)cc1Cl)Oc1cc(F)c(cc1C1CC1)C(=O)NS(=O)(=O)N1CCC1 |r|
Show InChI InChI=1S/C26H30ClF2N3O4S/c1-16-3-8-20(15-31(16)14-18-6-7-19(28)11-23(18)27)36-25-13-24(29)22(12-21(25)17-4-5-17)26(33)30-37(34,35)32-9-2-10-32/h6-7,11-13,16-17,20H,2-5,8-10,14-15H2,1H3,(H,30,33)/t16-,20+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
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UniChem

Similars

US Patent
n/an/a 2.40n/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))
BDBM71017
PNG
(US9546164, 165 | US9694002, 165)
Show SMILES COC[C@@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CC1)c1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1S/C28H33Cl2FN2O5S/c1-37-16-26(19-10-20(29)12-21(30)11-19)33-8-6-17(7-9-33)15-38-27-14-25(31)24(13-23(27)18-2-3-18)28(34)32-39(35,36)22-4-5-22/h10-14,17-18,22,26H,2-9,15-16H2,1H3,(H,32,34)/t26-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.40n/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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