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USPatent US10173985

Compile data set for download or QSAR
Found 34 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
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM318922
PNG
(6-(3-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl...)
Show SMILES Cn1nc(N)c2ccc(cc12)-c1cccc(F)c1OCC(F)(F)C(F)(F)F
Show InChI InChI=1S/C17H13F6N3O/c1-26-13-7-9(5-6-11(13)15(24)25-26)10-3-2-4-12(18)14(10)27-8-16(19,20)17(21,22)23/h2-7H,8H2,1H3,(H2,24,25)
PDB

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n/an/a 100n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
Electrophysiological studies are performed with an IonWorks Quattro (Molecular Devices Corp.) automated patch-clamp electrophysiology platform as des...

US Patent US10173985 (2019)


BindingDB Entry DOI: 10.7270/Q21838M6
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM318926
PNG
(6-(3-methoxy-2-(2,2,2-trifluoroethoxy)phenyl)-1-me...)
Show SMILES COc1cccc(-c2ccc3c(N)nn(C)c3c2)c1OCC(F)(F)F
Show InChI InChI=1S/C17H16F3N3O2/c1-23-13-8-10(6-7-12(13)16(21)22-23)11-4-3-5-14(24-2)15(11)25-9-17(18,19)20/h3-8H,9H2,1-2H3,(H2,21,22)
PDB

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n/an/a 200n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
Electrophysiological studies are performed with an IonWorks Quattro (Molecular Devices Corp.) automated patch-clamp electrophysiology platform as des...

US Patent US10173985 (2019)


BindingDB Entry DOI: 10.7270/Q21838M6
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM318934
PNG
(3-(3-amino-6-(2-(trifluoromethoxy)phenyl)-1H-indaz...)
Show SMILES Nc1nn(CCCO)c2cc(ccc12)-c1ccccc1OC(F)(F)F
Show InChI InChI=1S/C17H16F3N3O2/c18-17(19,20)25-15-5-2-1-4-12(15)11-6-7-13-14(10-11)23(8-3-9-24)22-16(13)21/h1-2,4-7,10,24H,3,8-9H2,(H2,21,22)
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n/an/a 200n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
Electrophysiological studies are performed with an IonWorks Quattro (Molecular Devices Corp.) automated patch-clamp electrophysiology platform as des...

US Patent US10173985 (2019)


BindingDB Entry DOI: 10.7270/Q21838M6
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM318928
PNG
(6-(2-(2,2-difluoroethoxy)-3-fluorophenyl)-1-methyl...)
Show SMILES Cn1nc(N)c2ccc(cc12)-c1cccc(F)c1OCC(F)F
Show InChI InChI=1S/C16H14F3N3O/c1-22-13-7-9(5-6-11(13)16(20)21-22)10-3-2-4-12(17)15(10)23-8-14(18)19/h2-7,14H,8H2,1H3,(H2,20,21)
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n/an/a 290n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
Electrophysiological studies are performed with an IonWorks Quattro (Molecular Devices Corp.) automated patch-clamp electrophysiology platform as des...

US Patent US10173985 (2019)


BindingDB Entry DOI: 10.7270/Q21838M6
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM318919
PNG
(1-methyl-6-(2-(2,2,2-trifluoroethoxy)phenyl)-1H-in...)
Show SMILES Cn1nc(N)c2ccc(cc12)-c1ccccc1OCC(F)(F)F
Show InChI InChI=1S/C16H14F3N3O/c1-22-13-8-10(6-7-12(13)15(20)21-22)11-4-2-3-5-14(11)23-9-16(17,18)19/h2-8H,9H2,1H3,(H2,20,21)
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n/an/a 320n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
Electrophysiological studies are performed with an IonWorks Quattro (Molecular Devices Corp.) automated patch-clamp electrophysiology platform as des...

US Patent US10173985 (2019)


BindingDB Entry DOI: 10.7270/Q21838M6
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM318921
PNG
(6-(2-(2,2,3,3,3-pentafluoropropoxy)phenyl)-1H-inda...)
Show SMILES Nc1n[nH]c2cc(ccc12)-c1ccccc1OCC(F)(F)C(F)(F)F
Show InChI InChI=1S/C16H12F5N3O/c17-15(18,16(19,20)21)8-25-13-4-2-1-3-10(13)9-5-6-11-12(7-9)23-24-14(11)22/h1-7H,8H2,(H3,22,23,24)
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n/an/a 560n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
Electrophysiological studies are performed with an IonWorks Quattro (Molecular Devices Corp.) automated patch-clamp electrophysiology platform as des...

US Patent US10173985 (2019)


BindingDB Entry DOI: 10.7270/Q21838M6
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM318923
PNG
(6-(2-fluoro-6-(2,2,3,3,3-pentafluoropropoxy)phenyl...)
Show SMILES Cn1nc(N)c2ccc(cc12)-c1c(F)cccc1OCC(F)(F)C(F)(F)F
Show InChI InChI=1S/C17H13F6N3O/c1-26-12-7-9(5-6-10(12)15(24)25-26)14-11(18)3-2-4-13(14)27-8-16(19,20)17(21,22)23/h2-7H,8H2,1H3,(H2,24,25)
PDB

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n/an/a 560n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
Electrophysiological studies are performed with an IonWorks Quattro (Molecular Devices Corp.) automated patch-clamp electrophysiology platform as des...

US Patent US10173985 (2019)


BindingDB Entry DOI: 10.7270/Q21838M6
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM318933
PNG
(3-(3-amino-6-(2-(trifluoromethyl)phenyl)-1H-indazo...)
Show SMILES Nc1nn(CCCO)c2cc(ccc12)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C17H16F3N3O/c18-17(19,20)14-5-2-1-4-12(14)11-6-7-13-15(10-11)23(8-3-9-24)22-16(13)21/h1-2,4-7,10,24H,3,8-9H2,(H2,21,22)
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n/an/a 740n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
Electrophysiological studies are performed with an IonWorks Quattro (Molecular Devices Corp.) automated patch-clamp electrophysiology platform as des...

US Patent US10173985 (2019)


BindingDB Entry DOI: 10.7270/Q21838M6
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM318920
PNG
(2-(1-methyl-6-(2-(2,2,3,3,3-pentafluoropropoxy)phe...)
Show SMILES Cn1nc(NCCO)c2ccc(cc12)-c1ccccc1OCC(F)(F)C(F)(F)F
Show InChI InChI=1S/C19H18F5N3O2/c1-27-15-10-12(6-7-14(15)17(26-27)25-8-9-28)13-4-2-3-5-16(13)29-11-18(20,21)19(22,23)24/h2-7,10,28H,8-9,11H2,1H3,(H,25,26)
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n/an/a 820n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
Electrophysiological studies are performed with an IonWorks Quattro (Molecular Devices Corp.) automated patch-clamp electrophysiology platform as des...

US Patent US10173985 (2019)


BindingDB Entry DOI: 10.7270/Q21838M6
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM318932
PNG
(6-(2-(difluoromethoxy)-3-fluorophenyl)-1-methyl-1H...)
Show SMILES Cn1nc(N)c2ccc(cc12)-c1cccc(F)c1OC(F)F
Show InChI InChI=1S/C15H12F3N3O/c1-21-12-7-8(5-6-10(12)14(19)20-21)9-3-2-4-11(16)13(9)22-15(17)18/h2-7,15H,1H3,(H2,19,20)
PDB

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n/an/a 860n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
Electrophysiological studies are performed with an IonWorks Quattro (Molecular Devices Corp.) automated patch-clamp electrophysiology platform as des...

US Patent US10173985 (2019)


BindingDB Entry DOI: 10.7270/Q21838M6
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM318927
PNG
(6-(2-(2,2-difluoroethoxy)-3-methoxyphenyl)-1-methy...)
Show SMILES COc1cccc(-c2ccc3c(N)nn(C)c3c2)c1OCC(F)F
Show InChI InChI=1S/C17H17F2N3O2/c1-22-13-8-10(6-7-12(13)17(20)21-22)11-4-3-5-14(23-2)16(11)24-9-15(18)19/h3-8,15H,9H2,1-2H3,(H2,20,21)
PDB

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n/an/a 1.07E+3n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
Electrophysiological studies are performed with an IonWorks Quattro (Molecular Devices Corp.) automated patch-clamp electrophysiology platform as des...

US Patent US10173985 (2019)


BindingDB Entry DOI: 10.7270/Q21838M6
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM318918
PNG
(6-(5-methoxy-2-(2,2,3,3,3-pentafluoropropoxy)pheny...)
Show SMILES COc1ccc(OCC(F)(F)C(F)(F)F)c(c1)-c1ccc2c(N)nn(C)c2c1
Show InChI InChI=1S/C18H16F5N3O2/c1-26-14-7-10(3-5-12(14)16(24)25-26)13-8-11(27-2)4-6-15(13)28-9-17(19,20)18(21,22)23/h3-8H,9H2,1-2H3,(H2,24,25)
PDB

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n/an/a 1.23E+3n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
Electrophysiological studies are performed with an IonWorks Quattro (Molecular Devices Corp.) automated patch-clamp electrophysiology platform as des...

US Patent US10173985 (2019)


BindingDB Entry DOI: 10.7270/Q21838M6
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM318931
PNG
(6-(2-(2,2-difluoroethoxy)-3-fluorophenyl)-N,1-dime...)
Show SMILES CNc1nn(C)c2cc(ccc12)-c1cccc(F)c1OCC(F)F
Show InChI InChI=1S/C17H16F3N3O/c1-21-17-12-7-6-10(8-14(12)23(2)22-17)11-4-3-5-13(18)16(11)24-9-15(19)20/h3-8,15H,9H2,1-2H3,(H,21,22)
PDB

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n/an/a 1.30E+3n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
Electrophysiological studies are performed with an IonWorks Quattro (Molecular Devices Corp.) automated patch-clamp electrophysiology platform as des...

US Patent US10173985 (2019)


BindingDB Entry DOI: 10.7270/Q21838M6
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM318924
PNG
(3-(1-methyl-6-(2-(2,2,3,3,3-pentafluoropropoxy)phe...)
Show SMILES Cn1nc(NCCCO)c2ccc(cc12)-c1ccccc1OCC(F)(F)C(F)(F)F
Show InChI InChI=1S/C20H20F5N3O2/c1-28-16-11-13(7-8-15(16)18(27-28)26-9-4-10-29)14-5-2-3-6-17(14)30-12-19(21,22)20(23,24)25/h2-3,5-8,11,29H,4,9-10,12H2,1H3,(H,26,27)
PDB

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n/an/a 1.50E+3n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
Electrophysiological studies are performed with an IonWorks Quattro (Molecular Devices Corp.) automated patch-clamp electrophysiology platform as des...

US Patent US10173985 (2019)


BindingDB Entry DOI: 10.7270/Q21838M6
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM318929
PNG
(6-(3-fluoro-2-(2,2,2-trifluoroethoxy)phenyl)-1-met...)
Show SMILES CN1CCC(CNc2nn(C)c3cc(ccc23)-c2cccc(F)c2OCC(F)(F)F)CC1
Show InChI InChI=1S/C23H26F4N4O/c1-30-10-8-15(9-11-30)13-28-22-18-7-6-16(12-20(18)31(2)29-22)17-4-3-5-19(24)21(17)32-14-23(25,26)27/h3-7,12,15H,8-11,13-14H2,1-2H3,(H,28,29)
PDB

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n/an/a 1.86E+3n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
Electrophysiological studies are performed with an IonWorks Quattro (Molecular Devices Corp.) automated patch-clamp electrophysiology platform as des...

US Patent US10173985 (2019)


BindingDB Entry DOI: 10.7270/Q21838M6
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM318935
PNG
(1-(2-methoxyethyl)-6-(2-(trifluoromethoxy)phenyl)-...)
Show SMILES COCCn1nc(N)c2ccc(cc12)-c1ccccc1OC(F)(F)F
Show InChI InChI=1S/C17H16F3N3O2/c1-24-9-8-23-14-10-11(6-7-13(14)16(21)22-23)12-4-2-3-5-15(12)25-17(18,19)20/h2-7,10H,8-9H2,1H3,(H2,21,22)
PDB

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n/an/a 2.00E+3n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
Electrophysiological studies are performed with an IonWorks Quattro (Molecular Devices Corp.) automated patch-clamp electrophysiology platform as des...

US Patent US10173985 (2019)


BindingDB Entry DOI: 10.7270/Q21838M6
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM318930
PNG
(1-methyl-6-(2-(2,2,2-trifluoroethoxy)pyridin-3-yl)...)
Show SMILES Cn1nc(N)c2ccc(cc12)-c1cccnc1OCC(F)(F)F
Show InChI InChI=1S/C15H13F3N4O/c1-22-12-7-9(4-5-11(12)13(19)21-22)10-3-2-6-20-14(10)23-8-15(16,17)18/h2-7H,8H2,1H3,(H2,19,21)
PDB

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n/an/a 2.37E+3n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
Electrophysiological studies are performed with an IonWorks Quattro (Molecular Devices Corp.) automated patch-clamp electrophysiology platform as des...

US Patent US10173985 (2019)


BindingDB Entry DOI: 10.7270/Q21838M6
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM318925
PNG
(2-(3-amino-6-(3-fluoro-2-(2,2,3,3,3-pentafluoropro...)
Show SMILES NC(=O)Cn1nc(N)c2ccc(cc12)-c1cccc(F)c1OCC(F)(F)C(F)(F)F
Show InChI InChI=1S/C18H14F6N4O2/c19-12-3-1-2-10(15(12)30-8-17(20,21)18(22,23)24)9-4-5-11-13(6-9)28(7-14(25)29)27-16(11)26/h1-6H,7-8H2,(H2,25,29)(H2,26,27)
PDB

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n/an/a 3.65E+3n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
Electrophysiological studies are performed with an IonWorks Quattro (Molecular Devices Corp.) automated patch-clamp electrophysiology platform as des...

US Patent US10173985 (2019)


BindingDB Entry DOI: 10.7270/Q21838M6
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))		BDBM318929
PNG
(6-(3-fluoro-2-(2,2,2-trifluoroethoxy)phenyl)-1-met...)
Show SMILES CN1CCC(CNc2nn(C)c3cc(ccc23)-c2cccc(F)c2OCC(F)(F)F)CC1
Show InChI InChI=1S/C23H26F4N4O/c1-30-10-8-15(9-11-30)13-28-22-18-7-6-16(12-20(18)31(2)29-22)17-4-3-5-19(24)21(17)32-14-23(25,26)27/h3-7,12,15H,8-11,13-14H2,1-2H3,(H,28,29)
PDB

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n/an/a 4.50E+3n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
Electrophysiological studies are performed with an IonWorks Quattro (Molecular Devices Corp.) automated patch-clamp electrophysiology platform as des...

US Patent US10173985 (2019)


BindingDB Entry DOI: 10.7270/Q21838M6
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))		BDBM318921
PNG
(6-(2-(2,2,3,3,3-pentafluoropropoxy)phenyl)-1H-inda...)
Show SMILES Nc1n[nH]c2cc(ccc12)-c1ccccc1OCC(F)(F)C(F)(F)F
Show InChI InChI=1S/C16H12F5N3O/c17-15(18,16(19,20)21)8-25-13-4-2-1-3-10(13)9-5-6-11-12(7-9)23-24-14(11)22/h1-7H,8H2,(H3,22,23,24)
PDB

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n/an/a 8.00E+3n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
Electrophysiological studies are performed with an IonWorks Quattro (Molecular Devices Corp.) automated patch-clamp electrophysiology platform as des...

US Patent US10173985 (2019)


BindingDB Entry DOI: 10.7270/Q21838M6
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))		BDBM318924
PNG
(3-(1-methyl-6-(2-(2,2,3,3,3-pentafluoropropoxy)phe...)
Show SMILES Cn1nc(NCCCO)c2ccc(cc12)-c1ccccc1OCC(F)(F)C(F)(F)F
Show InChI InChI=1S/C20H20F5N3O2/c1-28-16-11-13(7-8-15(16)18(27-28)26-9-4-10-29)14-5-2-3-6-17(14)30-12-19(21,22)20(23,24)25/h2-3,5-8,11,29H,4,9-10,12H2,1H3,(H,26,27)
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n/an/a 1.98E+4n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
Electrophysiological studies are performed with an IonWorks Quattro (Molecular Devices Corp.) automated patch-clamp electrophysiology platform as des...

US Patent US10173985 (2019)


BindingDB Entry DOI: 10.7270/Q21838M6
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))		BDBM318928
PNG
(6-(2-(2,2-difluoroethoxy)-3-fluorophenyl)-1-methyl...)
Show SMILES Cn1nc(N)c2ccc(cc12)-c1cccc(F)c1OCC(F)F
Show InChI InChI=1S/C16H14F3N3O/c1-22-13-7-9(5-6-11(13)16(20)21-22)10-3-2-4-12(17)15(10)23-8-14(18)19/h2-7,14H,8H2,1H3,(H2,20,21)
PDB

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n/an/a 2.30E+4n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
Electrophysiological studies are performed with an IonWorks Quattro (Molecular Devices Corp.) automated patch-clamp electrophysiology platform as des...

US Patent US10173985 (2019)


BindingDB Entry DOI: 10.7270/Q21838M6
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))		BDBM318934
PNG
(3-(3-amino-6-(2-(trifluoromethoxy)phenyl)-1H-indaz...)
Show SMILES Nc1nn(CCCO)c2cc(ccc12)-c1ccccc1OC(F)(F)F
Show InChI InChI=1S/C17H16F3N3O2/c18-17(19,20)25-15-5-2-1-4-12(15)11-6-7-13-14(10-11)23(8-3-9-24)22-16(13)21/h1-2,4-7,10,24H,3,8-9H2,(H2,21,22)
PDB

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n/an/a 2.50E+4n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
Electrophysiological studies are performed with an IonWorks Quattro (Molecular Devices Corp.) automated patch-clamp electrophysiology platform as des...

US Patent US10173985 (2019)


BindingDB Entry DOI: 10.7270/Q21838M6
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))		BDBM318933
PNG
(3-(3-amino-6-(2-(trifluoromethyl)phenyl)-1H-indazo...)
Show SMILES Nc1nn(CCCO)c2cc(ccc12)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C17H16F3N3O/c18-17(19,20)14-5-2-1-4-12(14)11-6-7-13-15(10-11)23(8-3-9-24)22-16(13)21/h1-2,4-7,10,24H,3,8-9H2,(H2,21,22)
PDB

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n/an/a 3.00E+4n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
Electrophysiological studies are performed with an IonWorks Quattro (Molecular Devices Corp.) automated patch-clamp electrophysiology platform as des...

US Patent US10173985 (2019)


BindingDB Entry DOI: 10.7270/Q21838M6
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))		BDBM318932
PNG
(6-(2-(difluoromethoxy)-3-fluorophenyl)-1-methyl-1H...)
Show SMILES Cn1nc(N)c2ccc(cc12)-c1cccc(F)c1OC(F)F
Show InChI InChI=1S/C15H12F3N3O/c1-21-12-7-8(5-6-10(12)14(19)20-21)9-3-2-4-11(16)13(9)22-15(17)18/h2-7,15H,1H3,(H2,19,20)
PDB

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n/an/a>3.30E+4n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
Electrophysiological studies are performed with an IonWorks Quattro (Molecular Devices Corp.) automated patch-clamp electrophysiology platform as des...

US Patent US10173985 (2019)


BindingDB Entry DOI: 10.7270/Q21838M6
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))		BDBM318919
PNG
(1-methyl-6-(2-(2,2,2-trifluoroethoxy)phenyl)-1H-in...)
Show SMILES Cn1nc(N)c2ccc(cc12)-c1ccccc1OCC(F)(F)F
Show InChI InChI=1S/C16H14F3N3O/c1-22-13-8-10(6-7-12(13)15(20)21-22)11-4-2-3-5-14(11)23-9-16(17,18)19/h2-8H,9H2,1H3,(H2,20,21)
PDB

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Almirall, S.A.

US Patent


Assay Description
Electrophysiological studies are performed with an IonWorks Quattro (Molecular Devices Corp.) automated patch-clamp electrophysiology platform as des...

US Patent US10173985 (2019)


BindingDB Entry DOI: 10.7270/Q21838M6
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))		BDBM318927
PNG
(6-(2-(2,2-difluoroethoxy)-3-methoxyphenyl)-1-methy...)
Show SMILES COc1cccc(-c2ccc3c(N)nn(C)c3c2)c1OCC(F)F
Show InChI InChI=1S/C17H17F2N3O2/c1-22-13-8-10(6-7-12(13)17(20)21-22)11-4-3-5-14(23-2)16(11)24-9-15(18)19/h3-8,15H,9H2,1-2H3,(H2,20,21)
PDB

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Almirall, S.A.

US Patent


Assay Description
Electrophysiological studies are performed with an IonWorks Quattro (Molecular Devices Corp.) automated patch-clamp electrophysiology platform as des...

US Patent US10173985 (2019)


BindingDB Entry DOI: 10.7270/Q21838M6
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))		BDBM318923
PNG
(6-(2-fluoro-6-(2,2,3,3,3-pentafluoropropoxy)phenyl...)
Show SMILES Cn1nc(N)c2ccc(cc12)-c1c(F)cccc1OCC(F)(F)C(F)(F)F
Show InChI InChI=1S/C17H13F6N3O/c1-26-12-7-9(5-6-10(12)15(24)25-26)14-11(18)3-2-4-13(14)27-8-16(19,20)17(21,22)23/h2-7H,8H2,1H3,(H2,24,25)
PDB

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Almirall, S.A.

US Patent


Assay Description
Electrophysiological studies are performed with an IonWorks Quattro (Molecular Devices Corp.) automated patch-clamp electrophysiology platform as des...

US Patent US10173985 (2019)


BindingDB Entry DOI: 10.7270/Q21838M6
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))		BDBM318922
PNG
(6-(3-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl...)
Show SMILES Cn1nc(N)c2ccc(cc12)-c1cccc(F)c1OCC(F)(F)C(F)(F)F
Show InChI InChI=1S/C17H13F6N3O/c1-26-13-7-9(5-6-11(13)15(24)25-26)10-3-2-4-12(18)14(10)27-8-16(19,20)17(21,22)23/h2-7H,8H2,1H3,(H2,24,25)
PDB

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Almirall, S.A.

US Patent


Assay Description
Electrophysiological studies are performed with an IonWorks Quattro (Molecular Devices Corp.) automated patch-clamp electrophysiology platform as des...

US Patent US10173985 (2019)


BindingDB Entry DOI: 10.7270/Q21838M6
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))		BDBM318920
PNG
(2-(1-methyl-6-(2-(2,2,3,3,3-pentafluoropropoxy)phe...)
Show SMILES Cn1nc(NCCO)c2ccc(cc12)-c1ccccc1OCC(F)(F)C(F)(F)F
Show InChI InChI=1S/C19H18F5N3O2/c1-27-15-10-12(6-7-14(15)17(26-27)25-8-9-28)13-4-2-3-5-16(13)29-11-18(20,21)19(22,23)24/h2-7,10,28H,8-9,11H2,1H3,(H,25,26)
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n/an/a>3.30E+4n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
Electrophysiological studies are performed with an IonWorks Quattro (Molecular Devices Corp.) automated patch-clamp electrophysiology platform as des...

US Patent US10173985 (2019)


BindingDB Entry DOI: 10.7270/Q21838M6
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))		BDBM318931
PNG
(6-(2-(2,2-difluoroethoxy)-3-fluorophenyl)-N,1-dime...)
Show SMILES CNc1nn(C)c2cc(ccc12)-c1cccc(F)c1OCC(F)F
Show InChI InChI=1S/C17H16F3N3O/c1-21-17-12-7-6-10(8-14(12)23(2)22-17)11-4-3-5-13(18)16(11)24-9-15(19)20/h3-8,15H,9H2,1-2H3,(H,21,22)
PDB

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Almirall, S.A.

US Patent


Assay Description
Electrophysiological studies are performed with an IonWorks Quattro (Molecular Devices Corp.) automated patch-clamp electrophysiology platform as des...

US Patent US10173985 (2019)


BindingDB Entry DOI: 10.7270/Q21838M6
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))		BDBM318926
PNG
(6-(3-methoxy-2-(2,2,2-trifluoroethoxy)phenyl)-1-me...)
Show SMILES COc1cccc(-c2ccc3c(N)nn(C)c3c2)c1OCC(F)(F)F
Show InChI InChI=1S/C17H16F3N3O2/c1-23-13-8-10(6-7-12(13)16(21)22-23)11-4-3-5-14(24-2)15(11)25-9-17(18,19)20/h3-8H,9H2,1-2H3,(H2,21,22)
PDB

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Almirall, S.A.

US Patent


Assay Description
Electrophysiological studies are performed with an IonWorks Quattro (Molecular Devices Corp.) automated patch-clamp electrophysiology platform as des...

US Patent US10173985 (2019)


BindingDB Entry DOI: 10.7270/Q21838M6
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))		BDBM318930
PNG
(1-methyl-6-(2-(2,2,2-trifluoroethoxy)pyridin-3-yl)...)
Show SMILES Cn1nc(N)c2ccc(cc12)-c1cccnc1OCC(F)(F)F
Show InChI InChI=1S/C15H13F3N4O/c1-22-12-7-9(4-5-11(12)13(19)21-22)10-3-2-6-20-14(10)23-8-15(16,17)18/h2-7H,8H2,1H3,(H2,19,21)
PDB

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Almirall, S.A.

US Patent


Assay Description
Electrophysiological studies are performed with an IonWorks Quattro (Molecular Devices Corp.) automated patch-clamp electrophysiology platform as des...

US Patent US10173985 (2019)


BindingDB Entry DOI: 10.7270/Q21838M6
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))		BDBM318918
PNG
(6-(5-methoxy-2-(2,2,3,3,3-pentafluoropropoxy)pheny...)
Show SMILES COc1ccc(OCC(F)(F)C(F)(F)F)c(c1)-c1ccc2c(N)nn(C)c2c1
Show InChI InChI=1S/C18H16F5N3O2/c1-26-14-7-10(3-5-12(14)16(24)25-26)13-8-11(27-2)4-6-15(13)28-9-17(19,20)18(21,22)23/h3-8H,9H2,1-2H3,(H2,24,25)
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Almirall, S.A.

US Patent


Assay Description
Electrophysiological studies are performed with an IonWorks Quattro (Molecular Devices Corp.) automated patch-clamp electrophysiology platform as des...

US Patent US10173985 (2019)


BindingDB Entry DOI: 10.7270/Q21838M6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%