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USPatent US9163042

Compile data set for download or QSAR
Found 24 hits of Enzyme Inhibition Constant Data   
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
Voltage-gated sodium channel subunit alpha Nav1.8


(Rattus norvegicus (Rat))
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
Patch clamp electrophysiology was used to assess the efficacy and selectivity of sodium channel blockers in dorsal root ganglion neurons. Rat neurons...


US Patent US9163042 (2015)


BindingDB Entry DOI: 10.7270/Q21Z4361
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.8


(Rattus norvegicus (Rat))
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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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 US9163042 (2015)


BindingDB Entry DOI: 10.7270/Q21Z4361
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.8


(Rattus norvegicus (Rat))
BDBM186571
PNG
(US9163042, 1)
Show SMILES COc1cc(F)ccc1Oc1cc(Cl)c(Cl)cc1C(=O)Nc1ccn(COP(O)(O)=O)c(=O)c1
Show InChI InChI=1S/C20H16Cl2FN2O8P/c1-31-18-6-11(23)2-3-16(18)33-17-9-15(22)14(21)8-13(17)20(27)24-12-4-5-25(19(26)7-12)10-32-34(28,29)30/h2-9H,10H2,1H3,(H,24,27)(H2,28,29,30)
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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 US9163042 (2015)


BindingDB Entry DOI: 10.7270/Q21Z4361
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.8


(Rattus norvegicus (Rat))
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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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 US9163042 (2015)


BindingDB Entry DOI: 10.7270/Q21Z4361
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.8


(Rattus norvegicus (Rat))
BDBM161245
PNG
(US10087143, Compound 30 | US9051270, 30 | US916304...)
Show SMILES COc1cc(F)ccc1Oc1ccc(cc1C(=O)Nc1cc[nH]c(=O)c1)C(F)(F)F
Show InChI InChI=1S/C20H14F4N2O4/c1-29-17-9-12(21)3-5-16(17)30-15-4-2-11(20(22,23)24)8-14(15)19(28)26-13-6-7-25-18(27)10-13/h2-10H,1H3,(H2,25,26,27,28)
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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 US9163042 (2015)


BindingDB Entry DOI: 10.7270/Q21Z4361
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.8


(Rattus norvegicus (Rat))
BDBM161294
PNG
(US9051270, 79 | US9051270, 82 | US9163042, 5a)
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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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 US9163042 (2015)


BindingDB Entry DOI: 10.7270/Q21Z4361
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.8


(Rattus norvegicus (Rat))
BDBM161303
PNG
(US10087143, Compound 88 | US9051270, 88 | US916304...)
Show SMILES Fc1ccc(Oc2cc(ccc2C(=O)Nc2cc[nH]c(=O)c2)C(F)(F)C(F)(F)F)cc1
Show InChI InChI=1S/C20H12F6N2O3/c21-12-2-4-14(5-3-12)31-16-9-11(19(22,23)20(24,25)26)1-6-15(16)18(30)28-13-7-8-27-17(29)10-13/h1-10H,(H2,27,28,29,30)
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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 US9163042 (2015)


BindingDB Entry DOI: 10.7270/Q21Z4361
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.8


(Rattus norvegicus (Rat))
BDBM161287
PNG
(US10087143, Compound 72 | US9051270, 72 | US905127...)
Show SMILES FC(F)(F)Oc1ccc(Oc2ccc(cc2C(=O)Nc2cc[nH]c(=O)c2)C(F)(F)F)cc1
Show InChI InChI=1S/C20H12F6N2O4/c21-19(22,23)11-1-6-16(31-13-2-4-14(5-3-13)32-20(24,25)26)15(9-11)18(30)28-12-7-8-27-17(29)10-12/h1-10H,(H2,27,28,29,30)
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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 US9163042 (2015)


BindingDB Entry DOI: 10.7270/Q21Z4361
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.8


(Rattus norvegicus (Rat))
BDBM161285
PNG
(US9051270, 70 | US9163042, 7a)
Show SMILES COc1cc(F)ccc1Oc1ccc(Cl)cc1C(=O)Nc1cc[nH]c(=O)c1
Show InChI InChI=1S/C19H14ClFN2O4/c1-26-17-9-12(21)3-5-16(17)27-15-4-2-11(20)8-14(15)19(25)23-13-6-7-22-18(24)10-13/h2-10H,1H3,(H2,22,23,24,25)
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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 US9163042 (2015)


BindingDB Entry DOI: 10.7270/Q21Z4361
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.8


(Rattus norvegicus (Rat))
BDBM161225
PNG
(US10087143, Compound 10 | US9051270, 10 | US916304...)
Show SMILES Cc1cc(F)ccc1Oc1cc(ccc1C(=O)Nc1cc[nH]c(=O)c1)C(F)(F)F
Show InChI InChI=1S/C20H14F4N2O3/c1-11-8-13(21)3-5-16(11)29-17-9-12(20(22,23)24)2-4-15(17)19(28)26-14-6-7-25-18(27)10-14/h2-10H,1H3,(H2,25,26,27,28)
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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 US9163042 (2015)


BindingDB Entry DOI: 10.7270/Q21Z4361
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.8


(Rattus norvegicus (Rat))
BDBM161246
PNG
(US10087143, Compound 106 | US9051270, 106 | US9051...)
Show SMILES Cc1cc(F)ccc1Oc1ccc(cc1C(=O)Nc1cc[nH]c(=O)c1)C(F)(F)F
Show InChI InChI=1S/C20H14F4N2O3/c1-11-8-13(21)3-5-16(11)29-17-4-2-12(20(22,23)24)9-15(17)19(28)26-14-6-7-25-18(27)10-14/h2-10H,1H3,(H2,25,26,27,28)
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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 US9163042 (2015)


BindingDB Entry DOI: 10.7270/Q21Z4361
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.8


(Rattus norvegicus (Rat))
BDBM161244
PNG
(US10087143, Compound 29 | US9051270, 29 | US916304...)
Show SMILES Fc1ccc(Oc2ccc(cc2C(=O)Nc2cc[nH]c(=O)c2)C(F)(F)F)c(Cl)c1
Show InChI InChI=1S/C19H11ClF4N2O3/c20-14-8-11(21)2-4-16(14)29-15-3-1-10(19(22,23)24)7-13(15)18(28)26-12-5-6-25-17(27)9-12/h1-9H,(H2,25,26,27,28)
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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 US9163042 (2015)


BindingDB Entry DOI: 10.7270/Q21Z4361
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.8


(Rattus norvegicus (Rat))
BDBM186572
PNG
(US9163042, 2)
Show SMILES COc1cc(F)ccc1Oc1cc(ccc1C(=O)Nc1ccn(COP(O)(O)=O)c(=O)c1)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C22H17F6N2O8P/c1-36-18-9-13(23)3-5-16(18)38-17-8-12(21(24,25)22(26,27)28)2-4-15(17)20(32)29-14-6-7-30(19(31)10-14)11-37-39(33,34)35/h2-10H,11H2,1H3,(H,29,32)(H2,33,34,35)
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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 US9163042 (2015)


BindingDB Entry DOI: 10.7270/Q21Z4361
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.8


(Rattus norvegicus (Rat))
BDBM161283
PNG
(US10087143, Compound 68 | US9051270, 68 | US916304...)
Show SMILES Cc1cc(F)ccc1Oc1ccc(Cl)cc1C(=O)Nc1cc[nH]c(=O)c1
Show InChI InChI=1S/C19H14ClFN2O3/c1-11-8-13(21)3-5-16(11)26-17-4-2-12(20)9-15(17)19(25)23-14-6-7-22-18(24)10-14/h2-10H,1H3,(H2,22,23,24,25)
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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 US9163042 (2015)


BindingDB Entry DOI: 10.7270/Q21Z4361
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.8


(Rattus norvegicus (Rat))
BDBM161235
PNG
(US10087143, Compound 20 | US9051270, 20 | US916304...)
Show SMILES Cc1cc(F)ccc1Oc1cc(Cl)ccc1C(=O)Nc1cc[nH]c(=O)c1
Show InChI InChI=1S/C19H14ClFN2O3/c1-11-8-13(21)3-5-16(11)26-17-9-12(20)2-4-15(17)19(25)23-14-6-7-22-18(24)10-14/h2-10H,1H3,(H2,22,23,24,25)
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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 US9163042 (2015)


BindingDB Entry DOI: 10.7270/Q21Z4361
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.8


(Rattus norvegicus (Rat))
BDBM161281
PNG
(US10087143, Compound 66 | US9051270, 66 | US916304...)
Show SMILES Fc1ccc(Oc2ccc(Cl)cc2C(=O)Nc2cc[nH]c(=O)c2)c(Cl)c1
Show InChI InChI=1S/C18H11Cl2FN2O3/c19-10-1-3-15(26-16-4-2-11(21)8-14(16)20)13(7-10)18(25)23-12-5-6-22-17(24)9-12/h1-9H,(H2,22,23,24,25)
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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 US9163042 (2015)


BindingDB Entry DOI: 10.7270/Q21Z4361
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.8


(Rattus norvegicus (Rat))
BDBM161243
PNG
(US10087143, Compound 28 | US9051270, 28 | US916304...)
Show SMILES Cc1ccccc1Oc1ccc(cc1C(=O)Nc1cc[nH]c(=O)c1)C(F)(F)F
Show InChI InChI=1S/C20H15F3N2O3/c1-12-4-2-3-5-16(12)28-17-7-6-13(20(21,22)23)10-15(17)19(27)25-14-8-9-24-18(26)11-14/h2-11H,1H3,(H2,24,25,26,27)
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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 US9163042 (2015)


BindingDB Entry DOI: 10.7270/Q21Z4361
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.8


(Rattus norvegicus (Rat))
BDBM161222
PNG
(US10087143, Compound 7 | US9051270, 7 | US9163042,...)
Show SMILES Fc1ccc(Oc2cc(ccc2C(=O)Nc2cc[nH]c(=O)c2)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C19H11F5N2O3/c20-11-2-4-15(14(21)8-11)29-16-7-10(19(22,23)24)1-3-13(16)18(28)26-12-5-6-25-17(27)9-12/h1-9H,(H2,25,26,27,28)
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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 US9163042 (2015)


BindingDB Entry DOI: 10.7270/Q21Z4361
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.8


(Rattus norvegicus (Rat))
BDBM161290
PNG
(US10087143, Compound 75 | US9051270, 75 | US916304...)
Show SMILES FC(F)(F)Oc1ccccc1Oc1ccc(cc1C(=O)Nc1cc[nH]c(=O)c1)C(F)(F)F
Show InChI InChI=1S/C20H12F6N2O4/c21-19(22,23)11-5-6-14(31-15-3-1-2-4-16(15)32-20(24,25)26)13(9-11)18(30)28-12-7-8-27-17(29)10-12/h1-10H,(H2,27,28,29,30)
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n/an/a 51n/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 US9163042 (2015)


BindingDB Entry DOI: 10.7270/Q21Z4361
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.8


(Rattus norvegicus (Rat))
BDBM161217
PNG
(US10087143, Compound 2 | US9051270, 2 | US9163042,...)
Show SMILES Fc1ccc(Oc2ccc(cc2C(=O)Nc2cc[nH]c(=O)c2)C(F)(F)F)cc1
Show InChI InChI=1S/C19H12F4N2O3/c20-12-2-4-14(5-3-12)28-16-6-1-11(19(21,22)23)9-15(16)18(27)25-13-7-8-24-17(26)10-13/h1-10H,(H2,24,25,26,27)
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n/an/a 54n/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 US9163042 (2015)


BindingDB Entry DOI: 10.7270/Q21Z4361
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.8


(Rattus norvegicus (Rat))
BDBM186574
PNG
(US9163042, 10)
Show SMILES Cc1cc(F)ccc1Oc1ccc(cc1C(=O)Nc1ccn(COP(O)(O)=O)c(=O)c1)C(F)(F)F
Show InChI InChI=1S/C21H17F4N2O7P/c1-12-8-14(22)3-5-17(12)34-18-4-2-13(21(23,24)25)9-16(18)20(29)26-15-6-7-27(19(28)10-15)11-33-35(30,31)32/h2-10H,11H2,1H3,(H,26,29)(H2,30,31,32)
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UniProtKB/SwissProt

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US Patent
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 US9163042 (2015)


BindingDB Entry DOI: 10.7270/Q21Z4361
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.8


(Rattus norvegicus (Rat))
BDBM186575
PNG
(US9163042, 13)
Show SMILES Cc1cc(F)ccc1Oc1cc(Cl)ccc1C(=O)Nc1ccn(COP(O)(O)=O)c(=O)c1
Show InChI InChI=1S/C20H17ClFN2O7P/c1-12-8-14(22)3-5-17(12)31-18-9-13(21)2-4-16(18)20(26)23-15-6-7-24(19(25)10-15)11-30-32(27,28)29/h2-10H,11H2,1H3,(H,23,26)(H2,27,28,29)
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n/an/a 329n/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 US9163042 (2015)


BindingDB Entry DOI: 10.7270/Q21Z4361
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.8


(Rattus norvegicus (Rat))
BDBM186573
PNG
(US9163042, 9)
Show SMILES Cc1cc(F)ccc1Oc1cc(ccc1C(=O)Nc1ccn(COP(O)(O)=O)c(=O)c1)C(F)(F)F
Show InChI InChI=1S/C21H17F4N2O7P/c1-12-8-14(22)3-5-17(12)34-18-9-13(21(23,24)25)2-4-16(18)20(29)26-15-6-7-27(19(28)10-15)11-33-35(30,31)32/h2-10H,11H2,1H3,(H,26,29)(H2,30,31,32)
PDB

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n/an/a 330n/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 US9163042 (2015)


BindingDB Entry DOI: 10.7270/Q21Z4361
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.8


(Rattus norvegicus (Rat))
BDBM186576
PNG
(US9163042, 18)
Show SMILES OP(O)(=O)OCn1ccc(NC(=O)c2cc(ccc2Oc2ccc(F)cc2)C(F)(F)F)cc1=O
Show InChI InChI=1S/C20H15F4N2O7P/c21-13-2-4-15(5-3-13)33-17-6-1-12(20(22,23)24)9-16(17)19(28)25-14-7-8-26(18(27)10-14)11-32-34(29,30)31/h1-10H,11H2,(H,25,28)(H2,29,30,31)
PDB

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UniProtKB/SwissProt

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n/an/a 457n/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 US9163042 (2015)


BindingDB Entry DOI: 10.7270/Q21Z4361
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%