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Patent code US10787472

Compile Data Set for Download or QSAR
Found 23 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM161329
PNG
(US10087143, Compound 114 | US10738009, Compound 11...)
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 US10787472 (2020)

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


(Homo sapiens (Human))
BDBM161326
PNG
(US10087143, Compound 111 | US10738009, Compound 11...)
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
Patch clamp electrophysiology was used to assess the efficacy and selectivity of sodium channel blockers in dorsal root ganglion neurons. Rat neurons...


US Patent US10787472 (2020)

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


(Homo sapiens (Human))
BDBM186571
PNG
(US10787472, Compound 1 | 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 US10787472 (2020)

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


(Homo sapiens (Human))
BDBM161328
PNG
(US10087143, Compound 113 | US10738009, Compound 11...)
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
Patch clamp electrophysiology was used to assess the efficacy and selectivity of sodium channel blockers in dorsal root ganglion neurons. Rat neurons...


US Patent US10787472 (2020)

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


(Homo sapiens (Human))
BDBM161245
PNG
(US10087143, Compound 30 | US10738009, Compound 52 ...)
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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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 US10787472 (2020)

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


(Homo sapiens (Human))
BDBM161294
PNG
(US10738009, Compound 79 | US10787472, Compound 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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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 US10787472 (2020)

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


(Homo sapiens (Human))
BDBM161287
PNG
(US10087143, Compound 72 | US10738009, Compound 72 ...)
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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n/an/a 13n/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 US10787472 (2020)

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


(Homo sapiens (Human))
BDBM161285
PNG
(US10738009, Compound 70 | US10787472, Compound 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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n/an/a 13n/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 US10787472 (2020)

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


(Homo sapiens (Human))
BDBM161225
PNG
(US10087143, Compound 10 | US10738009, Compound 10 ...)
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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n/an/a 14n/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 US10787472 (2020)

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


(Homo sapiens (Human))
BDBM161246
PNG
(US10087143, Compound 106 | US10738009, Compound 10...)
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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n/an/a 17n/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 US10787472 (2020)

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


(Homo sapiens (Human))
BDBM161244
PNG
(US10087143, Compound 29 | US10738009, Compound 29 ...)
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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n/an/a 28n/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 US10787472 (2020)

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


(Homo sapiens (Human))
BDBM464394
PNG
(N-[1-(chloromethyl)-2-oxo-4-pyridyl]-2-(4-fluoro-2...)
Show SMILES Cc1cc(F)ccc1Oc1cc(ccc1C(=O)Nc1ccn(CCl)c(=O)c1)C(F)(F)F
Show InChI InChI=1S/C21H15ClF4N2O3/c1-12-8-14(23)3-5-17(12)31-18-9-13(21(24,25)26)2-4-16(18)20(30)27-15-6-7-28(11-22)19(29)10-15/h2-10H,11H2,1H3,(H,27,30)
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n/an/a 28n/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 US10787472 (2020)

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


(Homo sapiens (Human))
BDBM161235
PNG
(US10087143, Compound 20 | US10738009, Compound 20 ...)
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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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 US10787472 (2020)

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


(Homo sapiens (Human))
BDBM161283
PNG
(US10087143, Compound 68 | US10738009, Compound 68 ...)
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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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 US10787472 (2020)

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


(Homo sapiens (Human))
BDBM161281
PNG
(US10087143, Compound 66 | US10738009, Compound 66 ...)
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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n/an/a 37n/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 US10787472 (2020)

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


(Homo sapiens (Human))
BDBM464410
PNG
(US10787472, Compound 15a)
Show SMILES COc1cc(NC(=O)c2ccc(cc2F)C(F)(F)F)ccn1
Show InChI InChI=1S/C14H10F4N2O2/c1-22-12-7-9(4-5-19-12)20-13(21)10-3-2-8(6-11(10)15)14(16,17)18/h2-7H,1H3,(H,19,20,21)
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n/an/a 44n/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 US10787472 (2020)

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


(Homo sapiens (Human))
BDBM161222
PNG
(US10087143, Compound 7 | US10738009, Compound 7 | ...)
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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n/an/a 50n/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 US10787472 (2020)

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


(Homo sapiens (Human))
BDBM161290
PNG
(US10087143, Compound 75 | US10738009, Compound 75 ...)
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 US10787472 (2020)

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


(Homo sapiens (Human))
BDBM161217
PNG
(US10087143, Compound 2 | US10738009, Compound 2 | ...)
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 US10787472 (2020)

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


(Homo sapiens (Human))
BDBM186574
PNG
(US10787472, Compound 10 | 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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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 US10787472 (2020)

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


(Homo sapiens (Human))
BDBM186575
PNG
(US10787472, Compound 13 | 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 US10787472 (2020)

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


(Homo sapiens (Human))
BDBM186573
PNG
(US10787472, Compound 9 | 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)
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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 US10787472 (2020)

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


(Homo sapiens (Human))
BDBM186576
PNG
(US10787472, Compound 18 | 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)
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Vertex Pharmaceuticals Incorporated

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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 US10787472 (2020)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%