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12 similar compounds to monomer 181216

Compile data set for download or QSAR
Wt: 434.3
BDBM181189
Wt: 434.3
BDBM181191
Wt: 433.3
BDBM181193
Wt: 459.4
BDBM181201
Wt: 457.4
BDBM181202
Wt: 429.4
BDBM181205
Wt: 429.4
BDBM181206
Wt: 390.3
BDBM181210
Wt: 390.3
BDBM181211
Wt: 414.3
BDBM181212
Wt: 414.3
BDBM181213
Wt: 432.4
BDBM181215

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 24 hits for monomerid = 181189,181191,181193,181201,181202,181205,181206,181210,181211,181212,181213,181215   
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
Voltage-gated sodium channel subunit alpha Nav1.8


(Rattus norvegicus (Rat))
BDBM181189
PNG
(US9139529, 32 | US9783501, Compound 32)
Show SMILES COc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1ccc(nc1)C(O)=O
Show InChI InChI=1S/C22H15FN4O5/c1-31-18-10-12(23)6-9-17(18)32-21-19(26-14-4-2-3-5-15(14)27-21)20(28)25-13-7-8-16(22(29)30)24-11-13/h2-11H,1H3,(H,25,28)(H,29,30)
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n/an/a 83n/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 US9139529 (2015)


BindingDB Entry DOI: 10.7270/Q2ZG6R1Z
More data for this
Ligand-Target Pair
Sodium channel protein type 10 subunit alpha


(Homo sapiens (Human))
BDBM181215
PNG
(US9139529, 58 | US9783501, Compound 58)
Show SMILES COc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1ccc(cc1)C(N)=O
Show InChI InChI=1S/C23H17FN4O4/c1-31-19-12-14(24)8-11-18(19)32-23-20(27-16-4-2-3-5-17(16)28-23)22(30)26-15-9-6-13(7-10-15)21(25)29/h2-12H,1H3,(H2,25,29)(H,26,30)
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n/an/a 31n/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
Voltage-gated sodium channel subunit alpha Nav1.8


(Rattus norvegicus (Rat))
BDBM181193
PNG
(US9139529, 36 | US9783501, Compound 36)
Show SMILES COc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1cccc(c1)C(O)=O
Show InChI InChI=1S/C23H16FN3O5/c1-31-19-12-14(24)9-10-18(19)32-22-20(26-16-7-2-3-8-17(16)27-22)21(28)25-15-6-4-5-13(11-15)23(29)30/h2-12H,1H3,(H,25,28)(H,29,30)
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n/an/a 460n/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 US9139529 (2015)


BindingDB Entry DOI: 10.7270/Q2ZG6R1Z
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.8


(Rattus norvegicus (Rat))
BDBM181201
PNG
(US9139529, 44 | US9783501, Compound 44)
Show SMILES COc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1ccc2[nH]c(CO)nc2c1
Show InChI InChI=1S/C24H18FN5O4/c1-33-20-10-13(25)6-9-19(20)34-24-22(29-15-4-2-3-5-16(15)30-24)23(32)26-14-7-8-17-18(11-14)28-21(12-31)27-17/h2-11,31H,12H2,1H3,(H,26,32)(H,27,28)
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n/an/a 425n/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 US9139529 (2015)


BindingDB Entry DOI: 10.7270/Q2ZG6R1Z
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.8


(Rattus norvegicus (Rat))
BDBM181202
PNG
(US9139529, 45 | US9783501, Compound 45)
Show SMILES COc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1cccc(c1)-c1nnn[nH]1
Show InChI InChI=1S/C23H16FN7O3/c1-33-19-12-14(24)9-10-18(19)34-23-20(26-16-7-2-3-8-17(16)27-23)22(32)25-15-6-4-5-13(11-15)21-28-30-31-29-21/h2-12H,1H3,(H,25,32)(H,28,29,30,31)
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n/an/a 1.65E+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 US9139529 (2015)


BindingDB Entry DOI: 10.7270/Q2ZG6R1Z
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.8


(Rattus norvegicus (Rat))
BDBM181205
PNG
(US9139529, 48 | US9783501, Compound 48)
Show SMILES COc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C23H16FN5O3/c1-31-20-11-14(24)6-9-19(20)32-23-21(27-17-4-2-3-5-18(17)28-23)22(30)26-15-7-8-16-13(10-15)12-25-29-16/h2-12H,1H3,(H,25,29)(H,26,30)
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n/an/a 86n/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 US9139529 (2015)


BindingDB Entry DOI: 10.7270/Q2ZG6R1Z
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.8


(Rattus norvegicus (Rat))
BDBM181206
PNG
(US9139529, 49 | US9783501, Compound 49)
Show SMILES COc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1ccc2nc[nH]c2c1
Show InChI InChI=1S/C23H16FN5O3/c1-31-20-10-13(24)6-9-19(20)32-23-21(28-16-4-2-3-5-17(16)29-23)22(30)27-14-7-8-15-18(11-14)26-12-25-15/h2-12H,1H3,(H,25,26)(H,27,30)
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n/an/a 585n/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 US9139529 (2015)


BindingDB Entry DOI: 10.7270/Q2ZG6R1Z
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.8


(Rattus norvegicus (Rat))
BDBM181210
PNG
(US9139529, 53 | US9783501, Compound 53)
Show SMILES COc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1ccncc1
Show InChI InChI=1S/C21H15FN4O3/c1-28-18-12-13(22)6-7-17(18)29-21-19(20(27)24-14-8-10-23-11-9-14)25-15-4-2-3-5-16(15)26-21/h2-12H,1H3,(H,23,24,27)
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n/an/a 22n/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 US9139529 (2015)


BindingDB Entry DOI: 10.7270/Q2ZG6R1Z
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.8


(Rattus norvegicus (Rat))
BDBM181211
PNG
(US9139529, 54 | US9783501, Compound 54)
Show SMILES COc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1cccnc1
Show InChI InChI=1S/C21H15FN4O3/c1-28-18-11-13(22)8-9-17(18)29-21-19(20(27)24-14-5-4-10-23-12-14)25-15-6-2-3-7-16(15)26-21/h2-12H,1H3,(H,24,27)
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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 US9139529 (2015)


BindingDB Entry DOI: 10.7270/Q2ZG6R1Z
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.8


(Rattus norvegicus (Rat))
BDBM181212
PNG
(US9139529, 55 | US9783501, Compound 55)
Show SMILES COc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1ccc(cc1)C#N
Show InChI InChI=1S/C23H15FN4O3/c1-30-20-12-15(24)8-11-19(20)31-23-21(27-17-4-2-3-5-18(17)28-23)22(29)26-16-9-6-14(13-25)7-10-16/h2-12H,1H3,(H,26,29)
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n/an/a 46n/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 US9139529 (2015)


BindingDB Entry DOI: 10.7270/Q2ZG6R1Z
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.8


(Rattus norvegicus (Rat))
BDBM181213
PNG
(US9139529, 56 | US9783501, Compound 56)
Show SMILES COc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1cccc(c1)C#N
Show InChI InChI=1S/C23H15FN4O3/c1-30-20-12-15(24)9-10-19(20)31-23-21(27-17-7-2-3-8-18(17)28-23)22(29)26-16-6-4-5-14(11-16)13-25/h2-12H,1H3,(H,26,29)
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n/an/a 30n/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 US9139529 (2015)


BindingDB Entry DOI: 10.7270/Q2ZG6R1Z
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.8


(Rattus norvegicus (Rat))
BDBM181215
PNG
(US9139529, 58 | US9783501, Compound 58)
Show SMILES COc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1ccc(cc1)C(N)=O
Show InChI InChI=1S/C23H17FN4O4/c1-31-19-12-14(24)8-11-18(19)32-23-20(27-16-4-2-3-5-17(16)28-23)22(30)26-15-9-6-13(7-10-15)21(25)29/h2-12H,1H3,(H2,25,29)(H,26,30)
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n/an/a 31n/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 US9139529 (2015)


BindingDB Entry DOI: 10.7270/Q2ZG6R1Z
More data for this
Ligand-Target Pair
Sodium channel protein type 10 subunit alpha


(Homo sapiens (Human))
BDBM181189
PNG
(US9139529, 32 | US9783501, Compound 32)
Show SMILES COc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1ccc(nc1)C(O)=O
Show InChI InChI=1S/C22H15FN4O5/c1-31-18-10-12(23)6-9-17(18)32-21-19(26-14-4-2-3-5-15(14)27-21)20(28)25-13-7-8-16(22(29)30)24-11-13/h2-11H,1H3,(H,25,28)(H,29,30)
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n/an/a 83n/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))
BDBM181191
PNG
(US9139529, 34 | US9783501, Compound 34)
Show SMILES COc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1ccnc(c1)C(O)=O
Show InChI InChI=1S/C22H15FN4O5/c1-31-18-10-12(23)6-7-17(18)32-21-19(26-14-4-2-3-5-15(14)27-21)20(28)25-13-8-9-24-16(11-13)22(29)30/h2-11H,1H3,(H,29,30)(H,24,25,28)
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n/an/a 16n/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))
BDBM181193
PNG
(US9139529, 36 | US9783501, Compound 36)
Show SMILES COc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1cccc(c1)C(O)=O
Show InChI InChI=1S/C23H16FN3O5/c1-31-19-12-14(24)9-10-18(19)32-22-20(26-16-7-2-3-8-17(16)27-22)21(28)25-15-6-4-5-13(11-15)23(29)30/h2-12H,1H3,(H,25,28)(H,29,30)
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n/an/a 460n/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))
BDBM181201
PNG
(US9139529, 44 | US9783501, Compound 44)
Show SMILES COc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1ccc2[nH]c(CO)nc2c1
Show InChI InChI=1S/C24H18FN5O4/c1-33-20-10-13(25)6-9-19(20)34-24-22(29-15-4-2-3-5-16(15)30-24)23(32)26-14-7-8-17-18(11-14)28-21(12-31)27-17/h2-11,31H,12H2,1H3,(H,26,32)(H,27,28)
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n/an/a 425n/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))
BDBM181202
PNG
(US9139529, 45 | US9783501, Compound 45)
Show SMILES COc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1cccc(c1)-c1nnn[nH]1
Show InChI InChI=1S/C23H16FN7O3/c1-33-19-12-14(24)9-10-18(19)34-23-20(26-16-7-2-3-8-17(16)27-23)22(32)25-15-6-4-5-13(11-15)21-28-30-31-29-21/h2-12H,1H3,(H,25,32)(H,28,29,30,31)
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n/an/a 1.65E+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))
BDBM181205
PNG
(US9139529, 48 | US9783501, Compound 48)
Show SMILES COc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C23H16FN5O3/c1-31-20-11-14(24)6-9-19(20)32-23-21(27-17-4-2-3-5-18(17)28-23)22(30)26-15-7-8-16-13(10-15)12-25-29-16/h2-12H,1H3,(H,25,29)(H,26,30)
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n/an/a 86n/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))
BDBM181206
PNG
(US9139529, 49 | US9783501, Compound 49)
Show SMILES COc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1ccc2nc[nH]c2c1
Show InChI InChI=1S/C23H16FN5O3/c1-31-20-10-13(24)6-9-19(20)32-23-21(28-16-4-2-3-5-17(16)29-23)22(30)27-14-7-8-15-18(11-14)26-12-25-15/h2-12H,1H3,(H,25,26)(H,27,30)
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n/an/a 585n/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))
BDBM181210
PNG
(US9139529, 53 | US9783501, Compound 53)
Show SMILES COc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1ccncc1
Show InChI InChI=1S/C21H15FN4O3/c1-28-18-12-13(22)6-7-17(18)29-21-19(20(27)24-14-8-10-23-11-9-14)25-15-4-2-3-5-16(15)26-21/h2-12H,1H3,(H,23,24,27)
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n/an/a 22n/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))
BDBM181211
PNG
(US9139529, 54 | US9783501, Compound 54)
Show SMILES COc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1cccnc1
Show InChI InChI=1S/C21H15FN4O3/c1-28-18-11-13(22)8-9-17(18)29-21-19(20(27)24-14-5-4-10-23-12-14)25-15-6-2-3-7-16(15)26-21/h2-12H,1H3,(H,24,27)
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n/an/a 80n/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))
BDBM181212
PNG
(US9139529, 55 | US9783501, Compound 55)
Show SMILES COc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1ccc(cc1)C#N
Show InChI InChI=1S/C23H15FN4O3/c1-30-20-12-15(24)8-11-19(20)31-23-21(27-17-4-2-3-5-18(17)28-23)22(29)26-16-9-6-14(13-25)7-10-16/h2-12H,1H3,(H,26,29)
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PC cid
PC sid
UniChem

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US Patent
n/an/a 46n/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))
BDBM181213
PNG
(US9139529, 56 | US9783501, Compound 56)
Show SMILES COc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1cccc(c1)C#N
Show InChI InChI=1S/C23H15FN4O3/c1-30-20-12-15(24)9-10-19(20)31-23-21(27-17-7-2-3-8-18(17)28-23)22(29)26-16-6-4-5-14(11-16)13-25/h2-12H,1H3,(H,26,29)
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UniChem

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US Patent
n/an/a 30n/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
Voltage-gated sodium channel subunit alpha Nav1.8


(Rattus norvegicus (Rat))
BDBM181191
PNG
(US9139529, 34 | US9783501, Compound 34)
Show SMILES COc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1ccnc(c1)C(O)=O
Show InChI InChI=1S/C22H15FN4O5/c1-31-18-10-12(23)6-7-17(18)32-21-19(26-14-4-2-3-5-15(14)27-21)20(28)25-13-8-9-24-16(11-13)22(29)30/h2-11H,1H3,(H,29,30)(H,24,25,28)
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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US Patent
n/an/a 16n/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 US9139529 (2015)


BindingDB Entry DOI: 10.7270/Q2ZG6R1Z
More data for this
Ligand-Target Pair