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Compile Data Set for Download or QSAR

Found 1300 hits of ic50 for UniProtKB: Q9Y5Y9   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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
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 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 protein type 10 subunit alpha


(Homo sapiens (Human))
BDBM161329
PNG
(US10087143, Compound 114 | US9051270, 114 | US9163...)
Show SMILES COc1cc(F)ccc1Oc1cc(Cl)c(Cl)cc1C(=O)Nc1cc[nH]c(=O)c1
Show InChI InChI=1S/C19H13Cl2FN2O4/c1-27-17-6-10(22)2-3-15(17)28-16-9-14(21)13(20)8-12(16)19(26)24-11-4-5-23-18(25)7-11/h2-9H,1H3,(H2,23,24,25,26)
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n/an/a 1n/an/an/an/an/an/a



VERTEX PHARMACEUTICALS INCORPORATED

US Patent


Assay Description
1) Pre-spotted compounds (in neat DMSO) into compound plates. Vehicle control (neat DMSO), the positive control (20 mM DMSO stock tetracaine, 125 ...


US Patent US9758483 (2017)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q28C9ZCT
More data for this
Ligand-Target Pair
Sodium channel protein type 10 subunit alpha


(Homo sapiens (Human))
BDBM161329
PNG
(US10087143, Compound 114 | US9051270, 114 | US9163...)
Show SMILES COc1cc(F)ccc1Oc1cc(Cl)c(Cl)cc1C(=O)Nc1cc[nH]c(=O)c1
Show InChI InChI=1S/C19H13Cl2FN2O4/c1-27-17-6-10(22)2-3-15(17)28-16-9-14(21)13(20)8-12(16)19(26)24-11-4-5-23-18(25)7-11/h2-9H,1H3,(H2,23,24,25,26)
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n/an/a 1n/an/an/an/an/an/a



VERTEX PHARMACEUTICALS INCORPORATED

US Patent


Assay Description
Sodium channels are voltage-dependent proteins that can be activated by inducing membrane voltage changes by applying electric fields. The electrical...


US Patent US10087143 (2018)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2HD7XP6
More data for this
Ligand-Target Pair
Sodium channel protein type 10 subunit alpha


(Homo sapiens (Human))
BDBM181203
PNG
(US9139529, 46 | US9783501, Compound 46)
Show SMILES COc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1cccc(c1)S(C)(=O)=O
Show InChI InChI=1S/C23H18FN3O5S/c1-31-20-12-14(24)10-11-19(20)32-23-21(26-17-8-3-4-9-18(17)27-23)22(28)25-15-6-5-7-16(13-15)33(2,29)30/h3-13H,1-2H3,(H,25,28)
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n/an/a 1n/an/an/an/an/an/a



VERTEX PHARMACEUTICALS INCORPORATED

US Patent


Assay Description
Patch clamp electrophysiology was used to assess the efficacy and selectivity of sodium channel blockers in dorsal root ganglion neurons. Rat neurons...


US Patent US9783501 (2017)


Article DOI: 10.1021/jm030131l
BindingDB Entry DOI: 10.7270/Q25B04NS
More data for this
Ligand-Target Pair
Sodium channel protein type 10 subunit alpha


(Homo sapiens (Human))
BDBM50330935
PNG
(CHEMBL1277958 | N-(m-Tolyl)-6-(4-ethoxyphenyl)-pyr...)
Show SMILES CCOc1ccc(cc1)-c1cncc(n1)C(=O)Nc1cccc(C)c1
Show InChI InChI=1S/C20H19N3O2/c1-3-25-17-9-7-15(8-10-17)18-12-21-13-19(23-18)20(24)22-16-6-4-5-14(2)11-16/h4-13H,3H2,1-2H3,(H,22,24)
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n/an/a 1n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NaV1.8 expressed in HEK293 cells by conventional voltageclamp electrophysiology assay


Bioorg Med Chem 18: 7816-25 (2010)


Article DOI: 10.1016/j.bmc.2010.09.057
BindingDB Entry DOI: 10.7270/Q24B31KG
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
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 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 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 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
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
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
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 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
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))
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
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))
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
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 1.70n/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 Complex


(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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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 Complex


(Homo sapiens (Human))
BDBM70836
PNG
(US9694002, 23)
Show SMILES Fc1cc(O[C@@H]2CCCN(Cc3ccccc3Cl)C2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
Show InChI InChI=1/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-/s2
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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 Complex


(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
Show InChI InChI=1/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-/s2
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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 Complex


(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
Show InChI InChI=1/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-/s2
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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 Complex


(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
Show InChI InChI=1/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-/s2
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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 Complex


(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
Show InChI InChI=1/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-/s2
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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 Complex


(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 Complex


(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
Show InChI InChI=1/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-/s2
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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 Complex


(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=1/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 Complex


(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
Show InChI InChI=1/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-/s2
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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 Complex


(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
Show InChI InChI=1/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+/s2
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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 Complex


(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 Complex


(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=1/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 Complex


(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 10 subunit alpha


(Homo sapiens (Human))
BDBM161373
PNG
(US10087143, Compound 158 | US9051270, 158 | US9758...)
Show SMILES COc1cc(F)ccc1Oc1cc(ccc1C(=O)Nc1cc[nH]c(=O)c1)C(F)(F)F
Show InChI InChI=1S/C20H14F4N2O4/c1-29-17-9-12(21)3-5-15(17)30-16-8-11(20(22,23)24)2-4-14(16)19(28)26-13-6-7-25-18(27)10-13/h2-10H,1H3,(H2,25,26,27,28)
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n/an/a 2n/an/an/an/an/an/a



VERTEX PHARMACEUTICALS INCORPORATED

US Patent


Assay Description
1) Pre-spotted compounds (in neat DMSO) into compound plates. Vehicle control (neat DMSO), the positive control (20 mM DMSO stock tetracaine, 125 ...


US Patent US9758483 (2017)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q28C9ZCT
More data for this
Ligand-Target Pair
Sodium channel protein type 10 subunit alpha


(Homo sapiens (Human))
BDBM181223
PNG
(US9139529, 66 | US9783501, Compound 66)
Show SMILES NS(=O)(=O)c1cccc(NC(=O)c2cc3ccccc3nc2Oc2ccc(F)cc2Cl)c1
Show InChI InChI=1S/C22H15ClFN3O4S/c23-18-11-14(24)8-9-20(18)31-22-17(10-13-4-1-2-7-19(13)27-22)21(28)26-15-5-3-6-16(12-15)32(25,29)30/h1-12H,(H,26,28)(H2,25,29,30)
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n/an/a 2n/an/an/an/an/an/a



VERTEX PHARMACEUTICALS INCORPORATED

US Patent


Assay Description
Patch clamp electrophysiology was used to assess the efficacy and selectivity of sodium channel blockers in dorsal root ganglion neurons. Rat neurons...


US Patent US9783501 (2017)


Article DOI: 10.1021/jm030131l
BindingDB Entry DOI: 10.7270/Q25B04NS
More data for this
Ligand-Target Pair
Sodium Channel Complex


(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 10 subunit alpha


(Homo sapiens (Human))
BDBM50329223
PNG
(CHEMBL1270797 | N-(3,5-dimethylphenyl)-5-(4-(trifl...)
Show SMILES Cc1cc(C)cc(NC(=O)c2ccc(o2)-c2ccc(OC(F)(F)F)cc2)c1
Show InChI InChI=1S/C20H16F3NO3/c1-12-9-13(2)11-15(10-12)24-19(25)18-8-7-17(26-18)14-3-5-16(6-4-14)27-20(21,22)23/h3-11H,1-2H3,(H,24,25)
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n/an/a 2n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.8 by electrophysiology


Bioorg Med Chem Lett 20: 6812-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.121
BindingDB Entry DOI: 10.7270/Q2F76CS6
More data for this
Ligand-Target Pair
Sodium channel protein type 10 subunit alpha


(Homo sapiens (Human))
BDBM50330949
PNG
(CHEMBL1277877 | N-(3,5-Dimethylphenyl)-6-(4-ethoxy...)
Show SMILES CCOc1ccc(cc1)-c1cncc(n1)C(=O)Nc1cc(C)cc(C)c1
Show InChI InChI=1S/C21H21N3O2/c1-4-26-18-7-5-16(6-8-18)19-12-22-13-20(24-19)21(25)23-17-10-14(2)9-15(3)11-17/h5-13H,4H2,1-3H3,(H,23,25)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NaV1.8 expressed in HEK293 cells by conventional voltageclamp electrophysiology assay


Bioorg Med Chem 18: 7816-25 (2010)


Article DOI: 10.1016/j.bmc.2010.09.057
BindingDB Entry DOI: 10.7270/Q24B31KG
More data for this
Ligand-Target Pair
Sodium channel protein type 10 subunit alpha


(Homo sapiens (Human))
BDBM50330948
PNG
(CHEMBL1277959 | N-(2-Methylbenzyl)-6-(4-ethoxyphen...)
Show SMILES CCOc1ccc(cc1)-c1cncc(n1)C(=O)NCc1ccccc1C
Show InChI InChI=1S/C21H21N3O2/c1-3-26-18-10-8-16(9-11-18)19-13-22-14-20(24-19)21(25)23-12-17-7-5-4-6-15(17)2/h4-11,13-14H,3,12H2,1-2H3,(H,23,25)
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n/an/a 2n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NaV1.8 expressed in HEK293 cells by conventional voltageclamp electrophysiology assay


Bioorg Med Chem 18: 7816-25 (2010)


Article DOI: 10.1016/j.bmc.2010.09.057
BindingDB Entry DOI: 10.7270/Q24B31KG
More data for this
Ligand-Target Pair
Sodium channel protein type 10 subunit alpha


(Homo sapiens (Human))
BDBM161373
PNG
(US10087143, Compound 158 | US9051270, 158 | US9758...)
Show SMILES COc1cc(F)ccc1Oc1cc(ccc1C(=O)Nc1cc[nH]c(=O)c1)C(F)(F)F
Show InChI InChI=1S/C20H14F4N2O4/c1-29-17-9-12(21)3-5-15(17)30-16-8-11(20(22,23)24)2-4-14(16)19(28)26-13-6-7-25-18(27)10-13/h2-10H,1H3,(H2,25,26,27,28)
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n/an/a 2n/an/an/an/an/an/a



VERTEX PHARMACEUTICALS INCORPORATED

US Patent


Assay Description
Sodium channels are voltage-dependent proteins that can be activated by inducing membrane voltage changes by applying electric fields. The electrical...


US Patent US10087143 (2018)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2HD7XP6
More data for this
Ligand-Target Pair
Sodium channel protein type 10 subunit alpha


(Homo sapiens (Human))
BDBM50329211
PNG
(5-(4-chlorophenyl)-N-(2-methylbenzyl)nicotinamide ...)
Show SMILES Cc1ccccc1CNC(=O)c1cncc(c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H17ClN2O/c1-14-4-2-3-5-16(14)13-23-20(24)18-10-17(11-22-12-18)15-6-8-19(21)9-7-15/h2-12H,13H2,1H3,(H,23,24)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.8 by electrophysiology


Bioorg Med Chem Lett 20: 6812-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.121
BindingDB Entry DOI: 10.7270/Q2F76CS6
More data for this
Ligand-Target Pair
Sodium Channel Complex


(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 Complex


(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
Show InChI InChI=1/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-/s2
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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 Complex


(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
Show InChI InChI=1/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+/s2
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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 Complex


(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)
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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 Complex


(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 Complex


(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
Show InChI InChI=1/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-/s2
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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 Complex


(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 Complex


(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 Complex


(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
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 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 Complex


(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 Complex


(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
Show InChI InChI=1/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-/s2
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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 Complex


(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
Show InChI InChI=1/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 Complex


(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
Show InChI InChI=1/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-/s2
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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 Complex


(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
Show InChI InChI=1/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+/s2
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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
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