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Compile Data Set for Download or QSAR

Found 783 hits Enz. Inhib. hit(s) with Target = 'Sodium channel protein type 10 subunit alpha'   
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 10 subunit alpha


(Homo sapiens (Human))
BDBM50178861
PNG
((1R,2R)-N1-methyl-N1-((2'-sulfamoylbiphenyl-4-yl)m...)
Show SMILES CN(Cc1ccc(cc1)-c1ccccc1S(N)(=O)=O)C(=O)[C@@H]1CCC[C@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C29H30F3N3O5S/c1-35(18-20-9-13-21(14-10-20)23-5-2-3-8-26(23)41(33,38)39)28(37)25-7-4-6-24(25)27(36)34-17-19-11-15-22(16-12-19)40-29(30,31)32/h2-3,5,8-16,24-25H,4,6-7,17-18H2,1H3,(H,34,36)(H2,33,38,39)/t24-,25-/m1/s1
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180n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity to Nav1.8 sodium channel


J Med Chem 50: 2583-8 (2007)


Article DOI: 10.1021/jm061005v
BindingDB Entry DOI: 10.7270/Q22J6BJB
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)

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)

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)

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 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)

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)

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)

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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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))
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))
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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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))
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))
BDBM161326
PNG
(US10087143, Compound 111 | US9051270, 111 | US9163...)
Show SMILES COc1cc(F)ccc1Oc1cc(ccc1C(=O)Nc1cc[nH]c(=O)c1)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C21H14F6N2O4/c1-32-17-9-12(22)3-5-15(17)33-16-8-11(20(23,24)21(25,26)27)2-4-14(16)19(31)29-13-6-7-28-18(30)10-13/h2-10H,1H3,(H2,28,29,30,31)
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n/an/a 3n/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)

More data for this
Ligand-Target Pair
Sodium channel protein type 10 subunit alpha


(Homo sapiens (Human))
BDBM181163
PNG
(US9139529, 6 | US9783501, Compound 6)
Show SMILES NS(=O)(=O)c1cccc(NC(=O)c2nc3ccccc3nc2Oc2ccc(F)cc2Cl)c1
Show InChI InChI=1S/C21H14ClFN4O4S/c22-15-10-12(23)8-9-18(15)31-21-19(26-16-6-1-2-7-17(16)27-21)20(28)25-13-4-3-5-14(11-13)32(24,29)30/h1-11H,(H,25,28)(H2,24,29,30)
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n/an/a 3n/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)

More data for this
Ligand-Target Pair
Sodium channel protein type 10 subunit alpha


(Homo sapiens (Human))
BDBM161326
PNG
(US10087143, Compound 111 | US9051270, 111 | US9163...)
Show SMILES COc1cc(F)ccc1Oc1cc(ccc1C(=O)Nc1cc[nH]c(=O)c1)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C21H14F6N2O4/c1-32-17-9-12(22)3-5-15(17)33-16-8-11(20(23,24)21(25,26)27)2-4-14(16)19(31)29-13-6-7-28-18(30)10-13/h2-10H,1H3,(H2,28,29,30,31)
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n/an/a 3n/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)

More data for this
Ligand-Target Pair
Sodium channel protein type 10 subunit alpha


(Homo sapiens (Human))
BDBM50330933
PNG
(CHEMBL1277514 | N-(3,5-Dimethylphenyl)-6-(4-chloro...)
Show SMILES Cc1cc(C)cc(NC(=O)c2cncc(n2)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C19H16ClN3O/c1-12-7-13(2)9-16(8-12)22-19(24)18-11-21-10-17(23-18)14-3-5-15(20)6-4-14/h3-11H,1-2H3,(H,22,24)
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n/an/a 3n/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))
BDBM50329203
PNG
(5-(4-chlorophenyl)-N-((2-(2,2,2-trifluoroethoxy)py...)
Show SMILES FC(F)(F)COc1ncccc1CNC(=O)c1cncc(c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H15ClF3N3O2/c21-17-5-3-13(4-6-17)15-8-16(10-25-9-15)18(28)27-11-14-2-1-7-26-19(14)29-12-20(22,23)24/h1-10H,11-12H2,(H,27,28)
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n/an/a 3n/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))
BDBM181161
PNG
(US9139529, 4 | US9783501, Compound 4)
Show SMILES COc1ccc(Oc2nc3ccccc3nc2C(=O)Nc2cccc(c2)S(N)(=O)=O)c(Cl)c1
Show InChI InChI=1S/C22H17ClN4O5S/c1-31-14-9-10-19(16(23)12-14)32-22-20(26-17-7-2-3-8-18(17)27-22)21(28)25-13-5-4-6-15(11-13)33(24,29)30/h2-12H,1H3,(H,25,28)(H2,24,29,30)
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n/an/a 4n/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)

More data for this
Ligand-Target Pair
Sodium channel protein type 10 subunit alpha


(Homo sapiens (Human))
BDBM50329210
PNG
(CHEMBL1269883 | N-(2-chlorobenzyl)-5-(4-chlorophen...)
Show SMILES Clc1ccc(cc1)-c1cncc(c1)C(=O)NCc1ccccc1Cl
Show InChI InChI=1S/C19H14Cl2N2O/c20-17-7-5-13(6-8-17)15-9-16(11-22-10-15)19(24)23-12-14-3-1-2-4-18(14)21/h1-11H,12H2,(H,23,24)
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n/an/a 4n/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))
BDBM161369
PNG
(US10087143, Compound 154 | US9051270, 154 | US9758...)
Show SMILES COc1cc(F)ccc1Oc1cc(cc(c1C(=O)Nc1cc[nH]c(=O)c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H13F7N2O4/c1-33-15-8-11(22)2-3-14(15)34-16-7-10(20(23,24)25)6-13(21(26,27)28)18(16)19(32)30-12-4-5-29-17(31)9-12/h2-9H,1H3,(H2,29,30,31,32)
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n/an/a 5n/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)

More data for this
Ligand-Target Pair
Sodium channel protein type 10 subunit alpha


(Homo sapiens (Human))
BDBM181168
PNG
(US9139529, 11 | US9783501, Compound 11)
Show SMILES COc1cc(Cl)ccc1Oc1nc2ccccc2nc1C(=O)Nc1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C22H17ClN4O5S/c1-31-19-11-13(23)9-10-18(19)32-22-20(26-16-7-2-3-8-17(16)27-22)21(28)25-14-5-4-6-15(12-14)33(24,29)30/h2-12H,1H3,(H,25,28)(H2,24,29,30)
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n/an/a 5n/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)

More data for this
Ligand-Target Pair
Sodium channel protein type 10 subunit alpha


(Homo sapiens (Human))
BDBM161369
PNG
(US10087143, Compound 154 | US9051270, 154 | US9758...)
Show SMILES COc1cc(F)ccc1Oc1cc(cc(c1C(=O)Nc1cc[nH]c(=O)c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H13F7N2O4/c1-33-15-8-11(22)2-3-14(15)34-16-7-10(20(23,24)25)6-13(21(26,27)28)18(16)19(32)30-12-4-5-29-17(31)9-12/h2-9H,1H3,(H2,29,30,31,32)
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n/an/a 5n/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)

More data for this
Ligand-Target Pair
Sodium channel protein type 10 subunit alpha


(Homo sapiens (Human))
BDBM50330945
PNG
(CHEMBL1278223 | N-(m-Tolyl)-6-(4-trifluoromethoxyp...)
Show SMILES Cc1cccc(NC(=O)c2cncc(n2)-c2ccc(OC(F)(F)F)cc2)c1
Show InChI InChI=1S/C19H14F3N3O2/c1-12-3-2-4-14(9-12)24-18(26)17-11-23-10-16(25-17)13-5-7-15(8-6-13)27-19(20,21)22/h2-11H,1H3,(H,24,26)
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n/an/a 5n/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))
BDBM161328
PNG
(US10087143, Compound 113 | US9051270, 113 | US9163...)
Show SMILES Fc1ccc(Oc2cc(Cl)c(Cl)cc2C(=O)Nc2cc[nH]c(=O)c2)cc1
Show InChI InChI=1S/C18H11Cl2FN2O3/c19-14-8-13(18(25)23-11-5-6-22-17(24)7-11)16(9-15(14)20)26-12-3-1-10(21)2-4-12/h1-9H,(H2,22,23,24,25)
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n/an/a 6n/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)

More data for this
Ligand-Target Pair
Sodium channel protein type 10 subunit alpha


(Homo sapiens (Human))
BDBM181159
PNG
(US9139529, 2 | US9783501, Compound 2)
Show SMILES COc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C22H17FN4O5S/c1-31-19-11-13(23)9-10-18(19)32-22-20(26-16-7-2-3-8-17(16)27-22)21(28)25-14-5-4-6-15(12-14)33(24,29)30/h2-12H,1H3,(H,25,28)(H2,24,29,30)
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n/an/a 6n/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)

More data for this
Ligand-Target Pair
Sodium channel protein type 10 subunit alpha


(Homo sapiens (Human))
BDBM181165
PNG
(US9139529, 8 | US9783501, Compound 8)
Show SMILES COc1ccc(Oc2nc3ccccc3nc2C(=O)Nc2cccc(c2)S(N)(=O)=O)c(OC)c1
Show InChI InChI=1S/C23H20N4O6S/c1-31-15-10-11-19(20(13-15)32-2)33-23-21(26-17-8-3-4-9-18(17)27-23)22(28)25-14-6-5-7-16(12-14)34(24,29)30/h3-13H,1-2H3,(H,25,28)(H2,24,29,30)
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n/an/a 6n/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)

More data for this
Ligand-Target Pair
Sodium channel protein type 10 subunit alpha


(Homo sapiens (Human))
BDBM161328
PNG
(US10087143, Compound 113 | US9051270, 113 | US9163...)
Show SMILES Fc1ccc(Oc2cc(Cl)c(Cl)cc2C(=O)Nc2cc[nH]c(=O)c2)cc1
Show InChI InChI=1S/C18H11Cl2FN2O3/c19-14-8-13(18(25)23-11-5-6-22-17(24)7-11)16(9-15(14)20)26-12-3-1-10(21)2-4-12/h1-9H,(H2,22,23,24,25)
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n/an/a 6n/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)

More data for this
Ligand-Target Pair
Sodium channel protein type 10 subunit alpha


(Homo sapiens (Human))
BDBM50330941
PNG
(CHEMBL1277512 | N-(3,5-Dimethoxyphenyl)-6-(4-chlor...)
Show SMILES COc1cc(NC(=O)c2cncc(n2)-c2ccc(Cl)cc2)cc(OC)c1
Show InChI InChI=1S/C19H16ClN3O3/c1-25-15-7-14(8-16(9-15)26-2)22-19(24)18-11-21-10-17(23-18)12-3-5-13(20)6-4-12/h3-11H,1-2H3,(H,22,24)
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n/an/a 6n/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))
BDBM50330937
PNG
(CHEMBL1277513 | N-(m-Tolyl)-6-(4-chlorophenyl)-pyr...)
Show SMILES Cc1cccc(NC(=O)c2cncc(n2)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C18H14ClN3O/c1-12-3-2-4-15(9-12)21-18(23)17-11-20-10-16(22-17)13-5-7-14(19)8-6-13/h2-11H,1H3,(H,21,23)
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n/an/a 6n/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))
BDBM161330
PNG
(US10087143, Compound 115 | US9051270, 115 | US9758...)
Show SMILES COc1ccc(Oc2cc(Cl)c(Cl)cc2C(=O)Nc2cc[nH]c(=O)c2)cc1F
Show InChI InChI=1S/C19H13Cl2FN2O4/c1-27-16-3-2-11(7-15(16)22)28-17-9-14(21)13(20)8-12(17)19(26)24-10-4-5-23-18(25)6-10/h2-9H,1H3,(H2,23,24,25,26)
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n/an/a 7n/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)

More data for this
Ligand-Target Pair
Sodium channel protein type 10 subunit alpha


(Homo sapiens (Human))
BDBM181190
PNG
(US9139529, 33 | US9783501, Compound 33)
Show SMILES OC(=O)c1cc(NC(=O)c2nc3ccccc3nc2Oc2ccc(OC(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C22H13F3N4O5/c23-22(24,25)34-14-7-5-13(6-8-14)33-20-18(28-15-3-1-2-4-16(15)29-20)19(30)27-12-9-10-26-17(11-12)21(31)32/h1-11H,(H,31,32)(H,26,27,30)
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n/an/a 7n/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)

More data for this
Ligand-Target Pair
Sodium channel protein type 10 subunit alpha


(Homo sapiens (Human))
BDBM181171
PNG
(US9139529, 14 | US9783501, Compound 14)
Show SMILES Cc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C22H17FN4O4S/c1-13-11-14(23)9-10-19(13)31-22-20(26-17-7-2-3-8-18(17)27-22)21(28)25-15-5-4-6-16(12-15)32(24,29)30/h2-12H,1H3,(H,25,28)(H2,24,29,30)
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n/an/a 7n/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)

More data for this
Ligand-Target Pair
Sodium channel protein type 10 subunit alpha


(Homo sapiens (Human))
BDBM161330
PNG
(US10087143, Compound 115 | US9051270, 115 | US9758...)
Show SMILES COc1ccc(Oc2cc(Cl)c(Cl)cc2C(=O)Nc2cc[nH]c(=O)c2)cc1F
Show InChI InChI=1S/C19H13Cl2FN2O4/c1-27-16-3-2-11(7-15(16)22)28-17-9-14(21)13(20)8-12(17)19(26)24-10-4-5-23-18(25)6-10/h2-9H,1H3,(H2,23,24,25,26)
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n/an/a 7n/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)

More data for this
Ligand-Target Pair
Sodium channel protein type 10 subunit alpha


(Homo sapiens (Human))
BDBM50329206
PNG
(5-(4-chlorophenyl)-N-((2-ethoxypyridin-3-yl)methyl...)
Show SMILES CCOc1ncccc1CNC(=O)c1cncc(c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H18ClN3O2/c1-2-26-20-15(4-3-9-23-20)13-24-19(25)17-10-16(11-22-12-17)14-5-7-18(21)8-6-14/h3-12H,2,13H2,1H3,(H,24,25)
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n/an/a 7n/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))
BDBM181220
PNG
(US9139529, 63 | US9783501, Compound 63)
Show SMILES Cc1cc(F)ccc1Oc1nc2ccccc2cc1C(=O)Nc1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C23H18FN3O4S/c1-14-11-16(24)9-10-21(14)31-23-19(12-15-5-2-3-8-20(15)27-23)22(28)26-17-6-4-7-18(13-17)32(25,29)30/h2-13H,1H3,(H,26,28)(H2,25,29,30)
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n/an/a 8n/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)

More data for this
Ligand-Target Pair
Sodium channel protein type 10 subunit alpha


(Homo sapiens (Human))
BDBM50330944
PNG
(CHEMBL1278044 | N-(3,5-Dimethylphenyl)-6-(4-cyanop...)
Show SMILES Cc1cc(C)cc(NC(=O)c2cncc(n2)-c2ccc(cc2)C#N)c1
Show InChI InChI=1S/C20H16N4O/c1-13-7-14(2)9-17(8-13)23-20(25)19-12-22-11-18(24-19)16-5-3-15(10-21)4-6-16/h3-9,11-12H,1-2H3,(H,23,25)
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n/an/a 8n/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))
BDBM50212239
PNG
(5-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)furan-2-...)
Show SMILES COc1cc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)cc(OC)c1
Show InChI InChI=1S/C19H16ClNO4/c1-23-15-9-14(10-16(11-15)24-2)21-19(22)18-8-7-17(25-18)12-3-5-13(20)6-4-12/h3-11H,1-2H3,(H,21,22)
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n/an/a 8n/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))
BDBM50212239
PNG
(5-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)furan-2-...)
Show SMILES COc1cc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)cc(OC)c1
Show InChI InChI=1S/C19H16ClNO4/c1-23-15-9-14(10-16(11-15)24-2)21-19(22)18-8-7-17(25-18)12-3-5-13(20)6-4-12/h3-11H,1-2H3,(H,21,22)
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n/an/a 8n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Nav 1.8 channel expressed in HEK293 cells


J Med Chem 51: 407-16 (2008)


Article DOI: 10.1021/jm070637u
BindingDB Entry DOI: 10.7270/Q2KK9CN7
More data for this
Ligand-Target Pair
Sodium channel protein type 10 subunit alpha


(Homo sapiens (Human))
BDBM50212239
PNG
(5-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)furan-2-...)
Show SMILES COc1cc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)cc(OC)c1
Show InChI InChI=1S/C19H16ClNO4/c1-23-15-9-14(10-16(11-15)24-2)21-19(22)18-8-7-17(25-18)12-3-5-13(20)6-4-12/h3-11H,1-2H3,(H,21,22)
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n/an/a 8n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.8 channel expressed in human HEK293 cells by patch clamp method


Proc Natl Acad Sci USA 104: 8520-5 (2007)


Article DOI: 10.1073/pnas.0611364104
BindingDB Entry DOI: 10.7270/Q2J10411
More data for this
Ligand-Target Pair
Sodium channel protein type 10 subunit alpha


(Homo sapiens (Human))
BDBM50212239
PNG
(5-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)furan-2-...)
Show SMILES COc1cc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)cc(OC)c1
Show InChI InChI=1S/C19H16ClNO4/c1-23-15-9-14(10-16(11-15)24-2)21-19(22)18-8-7-17(25-18)12-3-5-13(20)6-4-12/h3-11H,1-2H3,(H,21,22)
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n/an/a 8n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.8 channel expressed in HEK293 cells at -40 mV by patch clamp method


Proc Natl Acad Sci USA 104: 8520-5 (2007)


Article DOI: 10.1073/pnas.0611364104
BindingDB Entry DOI: 10.7270/Q2J10411
More data for this
Ligand-Target Pair
Sodium channel protein type 10 subunit alpha


(Homo sapiens (Human))
BDBM50212239
PNG
(5-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)furan-2-...)
Show SMILES COc1cc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)cc(OC)c1
Show InChI InChI=1S/C19H16ClNO4/c1-23-15-9-14(10-16(11-15)24-2)21-19(22)18-8-7-17(25-18)12-3-5-13(20)6-4-12/h3-11H,1-2H3,(H,21,22)
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n/an/a 8n/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Inhibition of inactivated human Nav1.8 sodium channel


J Med Chem 50: 2583-8 (2007)


Article DOI: 10.1021/jm061005v
BindingDB Entry DOI: 10.7270/Q22J6BJB
More data for this
Ligand-Target Pair
Sodium channel protein type 10 subunit alpha


(Homo sapiens (Human))
BDBM50329209
PNG
(5-(4-chlorophenyl)-N-(2-(piperidin-1-yl)benzyl)nic...)
Show SMILES Clc1ccc(cc1)-c1cncc(c1)C(=O)NCc1ccccc1N1CCCCC1
Show InChI InChI=1S/C24H24ClN3O/c25-22-10-8-18(9-11-22)20-14-21(16-26-15-20)24(29)27-17-19-6-2-3-7-23(19)28-12-4-1-5-13-28/h2-3,6-11,14-16H,1,4-5,12-13,17H2,(H,27,29)
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n/an/a 8n/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))
BDBM50329218
PNG
(CHEMBL1271105 | N-(3,5-dimethylphenyl)-5-(4-(trifl...)
Show SMILES Cc1cc(C)cc(NC(=O)c2nsc(n2)-c2ccc(OC(F)(F)F)cc2)c1
Show InChI InChI=1S/C18H14F3N3O2S/c1-10-7-11(2)9-13(8-10)22-16(25)15-23-17(27-24-15)12-3-5-14(6-4-12)26-18(19,20)21/h3-9H,1-2H3,(H,22,25)
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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 protein type 10 subunit alpha


(Homo sapiens (Human))
BDBM50329213
PNG
(5-(4-chlorophenyl)-N-(3,5-dimethylphenyl)nicotinam...)
Show SMILES Cc1cc(C)cc(NC(=O)c2cncc(c2)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C20H17ClN2O/c1-13-7-14(2)9-19(8-13)23-20(24)17-10-16(11-22-12-17)15-3-5-18(21)6-4-15/h3-12H,1-2H3,(H,23,24)
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n/an/a 9n/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))
BDBM161368
PNG
(US10087143, Compound 153 | US9051270, 153 | US9758...)
Show SMILES Cc1cc(F)ccc1Oc1cc(cc(c1C(=O)Nc1cc[nH]c(=O)c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H13F7N2O3/c1-10-6-12(22)2-3-15(10)33-16-8-11(20(23,24)25)7-14(21(26,27)28)18(16)19(32)30-13-4-5-29-17(31)9-13/h2-9H,1H3,(H2,29,30,31,32)
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n/an/a 10n/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)

More data for this
Ligand-Target Pair
Sodium channel protein type 10 subunit alpha


(Homo sapiens (Human))
BDBM161368
PNG
(US10087143, Compound 153 | US9051270, 153 | US9758...)
Show SMILES Cc1cc(F)ccc1Oc1cc(cc(c1C(=O)Nc1cc[nH]c(=O)c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H13F7N2O3/c1-10-6-12(22)2-3-15(10)33-16-8-11(20(23,24)25)7-14(21(26,27)28)18(16)19(32)30-13-4-5-29-17(31)9-13/h2-9H,1H3,(H2,29,30,31,32)
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n/an/a 10n/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)

More data for this
Ligand-Target Pair
Sodium channel protein type 10 subunit alpha


(Homo sapiens (Human))
BDBM50329208
PNG
(5-(4-chlorophenyl)-N-(2-morpholinobenzyl)nicotinam...)
Show SMILES Clc1ccc(cc1)-c1cncc(c1)C(=O)NCc1ccccc1N1CCOCC1
Show InChI InChI=1S/C23H22ClN3O2/c24-21-7-5-17(6-8-21)19-13-20(15-25-14-19)23(28)26-16-18-3-1-2-4-22(18)27-9-11-29-12-10-27/h1-8,13-15H,9-12,16H2,(H,26,28)
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n/an/a 10n/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))
BDBM161370
PNG
(US10087143, Compound 155 | US9051270, 155 | US9758...)
Show SMILES Fc1ccc(Oc2cc(cc(c2C(=O)Nc2cc[nH]c(=O)c2)C(F)(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C20H11F7N2O3/c21-11-1-3-13(4-2-11)32-15-8-10(19(22,23)24)7-14(20(25,26)27)17(15)18(31)29-12-5-6-28-16(30)9-12/h1-9H,(H2,28,29,30,31)
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n/an/a 11n/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)

More data for this
Ligand-Target Pair
Sodium channel protein type 10 subunit alpha


(Homo sapiens (Human))
BDBM161294
PNG
(US9051270, 79 | US9051270, 82 | US9163042, 5a | US...)
Show SMILES FC(F)(F)Oc1ccc(Oc2cc(ccc2C(=O)Nc2cc[nH]c(=O)c2)C(F)(F)F)cc1
Show InChI InChI=1S/C20H12F6N2O4/c21-19(22,23)11-1-6-15(18(30)28-12-7-8-27-17(29)10-12)16(9-11)31-13-2-4-14(5-3-13)32-20(24,25)26/h1-10H,(H2,27,28,29,30)
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n/an/a 11n/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)

More data for this
Ligand-Target Pair
Sodium channel protein type 10 subunit alpha


(Homo sapiens (Human))
BDBM181218
PNG
(US9139529, 61 | US9783501, Compound 61)
Show SMILES COc1cc(F)ccc1Oc1nc2ccccc2cc1C(=O)Nc1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C23H18FN3O5S/c1-31-21-12-15(24)9-10-20(21)32-23-18(11-14-5-2-3-8-19(14)27-23)22(28)26-16-6-4-7-17(13-16)33(25,29)30/h2-13H,1H3,(H,26,28)(H2,25,29,30)
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n/an/a 11n/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)

More data for this
Ligand-Target Pair
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