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Compile Data Set for Download or QSAR

Found 3077 hits with Last Name = 'field' and Initial = 'jr'   
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 5 subunit alpha


(Homo sapiens (Human))
BDBM50568138
PNG
(CHEMBL4854735)
Show SMILES Fc1cccc(NS(=O)(=O)c2cc(F)c(O[C@H]3CCN(CC(F)(F)F)C[C@@H]3c3ccc(F)c(F)c3)c(F)c2)n1 |r|
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370n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]BNZA from Nav1.5 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128133
BindingDB Entry DOI: 10.7270/Q2CJ8J7B
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50568135
PNG
(CHEMBL4849813)
Show SMILES Fc1cccc(NS(=O)(=O)c2cc(F)c(OC3CCN(CC(F)(F)F)CC3c3ccc(F)c(F)c3)cc2F)n1
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2.02E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]BNZA from Nav1.5 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128133
BindingDB Entry DOI: 10.7270/Q2CJ8J7B
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH]


(Francisella tularensis subsp. tularensis (strain S...)
BDBM50436715
PNG
(CHEMBL2398661)
Show SMILES O=C(COc1ccccc1)NCCSc1c[nH]c2ccccc12
Show InChI InChI=1S/C18H18N2O2S/c21-18(13-22-14-6-2-1-3-7-14)19-10-11-23-17-12-20-16-9-5-4-8-15(16)17/h1-9,12,20H,10-11,13H2,(H,19,21)
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Article
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3.40E+3n/an/an/an/an/an/an/an/a



Naval Research Laboratories

Curated by ChEMBL


Assay Description
Competitive inhibition of C-terminal His6-tagged Francisella tularensis SCHU S4 FabI expressed in Escherichia coli BL21 (DE3) using CrCoA as substrat...


J Med Chem 56: 5275-87 (2014)


Article DOI: 10.1021/jm4001242
BindingDB Entry DOI: 10.7270/Q2D79CTG
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH]


(Francisella tularensis subsp. tularensis (strain S...)
BDBM50436718
PNG
(CHEMBL1341978)
Show SMILES O=C(CC1CCCCC1)N1CCC(CC1)c1nc(no1)-c1ccc(cc1)S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C25H34N4O4S/c30-23(18-19-6-2-1-3-7-19)28-16-12-21(13-17-28)25-26-24(27-33-25)20-8-10-22(11-9-20)34(31,32)29-14-4-5-15-29/h8-11,19,21H,1-7,12-18H2
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7.00E+3n/an/an/an/an/an/an/an/a



Naval Research Laboratories

Curated by ChEMBL


Assay Description
Competitive inhibition of C-terminal His6-tagged Francisella tularensis SCHU S4 FabI expressed in Escherichia coli BL21 (DE3) using CrCoA as substrat...


J Med Chem 56: 5275-87 (2014)


Article DOI: 10.1021/jm4001242
BindingDB Entry DOI: 10.7270/Q2D79CTG
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM374028
PNG
((S)-4-((1-benzylpyrrolidin-3-yl)(methyl)amino)-2,6...)
Show SMILES CN([C@H]1CCN(Cc2ccccc2)C1)c1cc(F)c(c(F)c1C)S(=O)(=O)Nc1ncns1 |r|
Show InChI InChI=1S/C21H23F2N5O2S2/c1-14-18(27(2)16-8-9-28(12-16)11-15-6-4-3-5-7-15)10-17(22)20(19(14)23)32(29,30)26-21-24-13-25-31-21/h3-7,10,13,16H,8-9,11-12H2,1-2H3,(H,24,25,26)/t16-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
Patch voltage clamp electrophysiology allows for the direct measurement and quantification of block of voltage-gated sodium channels (Nay's), and...


J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2HM5BRC
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM374028
PNG
((S)-4-((1-benzylpyrrolidin-3-yl)(methyl)amino)-2,6...)
Show SMILES CN([C@H]1CCN(Cc2ccccc2)C1)c1cc(F)c(c(F)c1C)S(=O)(=O)Nc1ncns1 |r|
Show InChI InChI=1S/C21H23F2N5O2S2/c1-14-18(27(2)16-8-9-28(12-16)11-15-6-4-3-5-7-15)10-17(22)20(19(14)23)32(29,30)26-21-24-13-25-31-21/h3-7,10,13,16H,8-9,11-12H2,1-2H3,(H,24,25,26)/t16-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

US Patent


Assay Description
The following patch voltage clamp electrophysiology studies were performed on representative compounds of the invention using human embryonic kidney ...


US Patent US10662184 (2020)


BindingDB Entry DOI: 10.7270/Q2MK6GZP
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM374028
PNG
((S)-4-((1-benzylpyrrolidin-3-yl)(methyl)amino)-2,6...)
Show SMILES CN([C@H]1CCN(Cc2ccccc2)C1)c1cc(F)c(c(F)c1C)S(=O)(=O)Nc1ncns1 |r|
Show InChI InChI=1S/C21H23F2N5O2S2/c1-14-18(27(2)16-8-9-28(12-16)11-15-6-4-3-5-7-15)10-17(22)20(19(14)23)32(29,30)26-21-24-13-25-31-21/h3-7,10,13,16H,8-9,11-12H2,1-2H3,(H,24,25,26)/t16-/m0/s1
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TBA

Assay Description
Sodium currents were measured using the patch clamp technique in the whole-cell configuration using either a PatchXpress automated voltage clamp or m...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2XS5ZK1
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM526223
PNG
(4-((2-(azetidin-1-ylmethyl)benzyl)amino)-2,6-diflu...)
Show SMILES Cc1c(NCc2ccccc2CN2CCC2)cc(F)c(c1F)S(=O)(=O)Nc1ncns1
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TBA

Assay Description
This sodium influx assay employs the use of the cell permeable, sodium sensitive dye ANG2 to quantify sodium ion influx through sodium channels which...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QF8X18
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM526223
PNG
(4-((2-(azetidin-1-ylmethyl)benzyl)amino)-2,6-diflu...)
Show SMILES Cc1c(NCc2ccccc2CN2CCC2)cc(F)c(c1F)S(=O)(=O)Nc1ncns1
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TBA

Assay Description
Patch voltage clamp electrophysiology allows for the direct measurement and quantification of block of voltage-gated sodium channels (NaV's), and...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QF8X18
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM526220
PNG
(4-((2-(azetidin-1-ylmethyl)benzyl)amino)-3-chloro-...)
Show SMILES Fc1cc(NCc2ccccc2CN2CCC2)c(Cl)c(F)c1S(=O)(=O)Nc1ncns1
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TBA

Assay Description
Patch voltage clamp electrophysiology allows for the direct measurement and quantification of block of voltage-gated sodium channels (NaV's), and...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QF8X18
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM374029
PNG
((S)-4-((1-benzylpyrrolidin-3-yl)(methyl)amino)-2,6...)
Show SMILES CN([C@H]1CCN(Cc2cccc(C)n2)C1)c1cc(F)c(c(F)c1C)S(=O)(=O)Nc1ncns1 |r|
Show InChI InChI=1S/C21H24F2N6O2S2/c1-13-5-4-6-15(26-13)10-29-8-7-16(11-29)28(3)18-9-17(22)20(19(23)14(18)2)33(30,31)27-21-24-12-25-32-21/h4-6,9,12,16H,7-8,10-11H2,1-3H3,(H,24,25,27)/t16-/m0/s1
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St. Jude Research Hospital



Assay Description
Patch voltage clamp electrophysiology allows for the direct measurement and quantification of block of voltage-gated sodium channels (Nay's), and...


J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2HM5BRC
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM374029
PNG
((S)-4-((1-benzylpyrrolidin-3-yl)(methyl)amino)-2,6...)
Show SMILES CN([C@H]1CCN(Cc2cccc(C)n2)C1)c1cc(F)c(c(F)c1C)S(=O)(=O)Nc1ncns1 |r|
Show InChI InChI=1S/C21H24F2N6O2S2/c1-13-5-4-6-15(26-13)10-29-8-7-16(11-29)28(3)18-9-17(22)20(19(23)14(18)2)33(30,31)27-21-24-12-25-32-21/h4-6,9,12,16H,7-8,10-11H2,1-3H3,(H,24,25,27)/t16-/m0/s1
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Xenon Pharmaceuticals Inc.

US Patent


Assay Description
The following patch voltage clamp electrophysiology studies were performed on representative compounds of the invention using human embryonic kidney ...


US Patent US10662184 (2020)


BindingDB Entry DOI: 10.7270/Q2MK6GZP
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM374029
PNG
((S)-4-((1-benzylpyrrolidin-3-yl)(methyl)amino)-2,6...)
Show SMILES CN([C@H]1CCN(Cc2cccc(C)n2)C1)c1cc(F)c(c(F)c1C)S(=O)(=O)Nc1ncns1 |r|
Show InChI InChI=1S/C21H24F2N6O2S2/c1-13-5-4-6-15(26-13)10-29-8-7-16(11-29)28(3)18-9-17(22)20(19(23)14(18)2)33(30,31)27-21-24-12-25-32-21/h4-6,9,12,16H,7-8,10-11H2,1-3H3,(H,24,25,27)/t16-/m0/s1
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TBA

Assay Description
Sodium currents were measured using the patch clamp technique in the whole-cell configuration using either a PatchXpress automated voltage clamp or m...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2XS5ZK1
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM526197
PNG
(4-((2-(azetidin-1-ylmethyl)-6-fluorobenzyl)amino)-...)
Show SMILES Cc1c(NCc2c(F)cccc2CN2CCC2)cc(F)c(c1F)S(=O)(=O)Nc1cscn1
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TBA

Assay Description
Patch voltage clamp electrophysiology allows for the direct measurement and quantification of block of voltage-gated sodium channels (NaV's), and...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QF8X18
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM526227
PNG
(5-chloro-2-fluoro-4-(((6-fluoro-1H-indazol-7-yl)me...)
Show SMILES Fc1ccc2cn[nH]c2c1CNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
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TBA

Assay Description
Patch voltage clamp electrophysiology allows for the direct measurement and quantification of block of voltage-gated sodium channels (NaV's), and...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QF8X18
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM526108
PNG
(4-((2-(azetidin-1-ylmethyl)-3,6-difluorobenzyl)ami...)
Show SMILES Fc1ccc(F)c(CN2CCC2)c1CNc1cc(F)c(c(F)c1F)S(=O)(=O)Nc1cscn1
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n/an/a 3n/an/an/an/an/an/a


TBA

Assay Description
Patch voltage clamp electrophysiology allows for the direct measurement and quantification of block of voltage-gated sodium channels (NaV's), and...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QF8X18
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM526220
PNG
(4-((2-(azetidin-1-ylmethyl)benzyl)amino)-3-chloro-...)
Show SMILES Fc1cc(NCc2ccccc2CN2CCC2)c(Cl)c(F)c1S(=O)(=O)Nc1ncns1
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TBA

Assay Description
This sodium influx assay employs the use of the cell permeable, sodium sensitive dye ANG2 to quantify sodium ion influx through sodium channels which...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QF8X18
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM525909
PNG
(4-((2-(azetidin-1-ylmethyl)benzyl)amino)-5-chloro-...)
Show SMILES Fc1cc(NCc2ccccc2CN2CCC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
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n/an/a 4n/an/an/an/an/an/a


TBA

Assay Description
Patch voltage clamp electrophysiology allows for the direct measurement and quantification of block of voltage-gated sodium channels (NaV's), and...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QF8X18
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM525954
PNG
(5-chloro-2-fluoro-4-((isoquinolin-8-ylmethyl)amino...)
Show SMILES Fc1cc(NCc2cccc3ccncc23)c(Cl)cc1S(=O)(=O)Nc1nccs1
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TBA

Assay Description
Patch voltage clamp electrophysiology allows for the direct measurement and quantification of block of voltage-gated sodium channels (NaV's), and...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QF8X18
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM374015
PNG
((R)-2,6-difluoro-3-methyl-4-((1-(1-phenylethyl)pip...)
Show SMILES C[C@@H](N1CCC(CC1)Oc1cc(F)c(c(F)c1C)S(=O)(=O)Nc1cscn1)c1ccccc1 |r|
Show InChI InChI=1S/C23H25F2N3O3S2/c1-15-20(12-19(24)23(22(15)25)33(29,30)27-21-13-32-14-26-21)31-18-8-10-28(11-9-18)16(2)17-6-4-3-5-7-17/h3-7,12-14,16,18,27H,8-11H2,1-2H3/t16-/m1/s1
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St. Jude Research Hospital



Assay Description
This sodium influx assay employs the use of the cell permeable, sodium sensitive dye ANG2 to quantify sodium ion influx through sodium channels which...


J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2HM5BRC
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM374015
PNG
((R)-2,6-difluoro-3-methyl-4-((1-(1-phenylethyl)pip...)
Show SMILES C[C@@H](N1CCC(CC1)Oc1cc(F)c(c(F)c1C)S(=O)(=O)Nc1cscn1)c1ccccc1 |r|
Show InChI InChI=1S/C23H25F2N3O3S2/c1-15-20(12-19(24)23(22(15)25)33(29,30)27-21-13-32-14-26-21)31-18-8-10-28(11-9-18)16(2)17-6-4-3-5-7-17/h3-7,12-14,16,18,27H,8-11H2,1-2H3/t16-/m1/s1
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TBA

Assay Description
Sodium currents were measured using the patch clamp technique in the whole-cell configuration using either a PatchXpress automated voltage clamp or m...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2XS5ZK1
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM374015
PNG
((R)-2,6-difluoro-3-methyl-4-((1-(1-phenylethyl)pip...)
Show SMILES C[C@@H](N1CCC(CC1)Oc1cc(F)c(c(F)c1C)S(=O)(=O)Nc1cscn1)c1ccccc1 |r|
Show InChI InChI=1S/C23H25F2N3O3S2/c1-15-20(12-19(24)23(22(15)25)33(29,30)27-21-13-32-14-26-21)31-18-8-10-28(11-9-18)16(2)17-6-4-3-5-7-17/h3-7,12-14,16,18,27H,8-11H2,1-2H3/t16-/m1/s1
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Xenon Pharmaceuticals Inc.

US Patent


Assay Description
The following patch voltage clamp electrophysiology studies were performed on representative compounds of the invention using human embryonic kidney ...


US Patent US10662184 (2020)


BindingDB Entry DOI: 10.7270/Q2MK6GZP
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM374015
PNG
((R)-2,6-difluoro-3-methyl-4-((1-(1-phenylethyl)pip...)
Show SMILES C[C@@H](N1CCC(CC1)Oc1cc(F)c(c(F)c1C)S(=O)(=O)Nc1cscn1)c1ccccc1 |r|
Show InChI InChI=1S/C23H25F2N3O3S2/c1-15-20(12-19(24)23(22(15)25)33(29,30)27-21-13-32-14-26-21)31-18-8-10-28(11-9-18)16(2)17-6-4-3-5-7-17/h3-7,12-14,16,18,27H,8-11H2,1-2H3/t16-/m1/s1
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St. Jude Research Hospital



Assay Description
Patch voltage clamp electrophysiology allows for the direct measurement and quantification of block of voltage-gated sodium channels (Nay's), and...


J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2HM5BRC
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM526196
PNG
(4-((2-(azetidin-1-ylmethyl)-6-fluorobenzyl)amino)-...)
Show SMILES Fc1cccc(CN2CCC2)c1CNc1cc(F)c(c(F)c1Cl)S(=O)(=O)Nc1cscn1
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n/an/a 7n/an/an/an/an/an/a


TBA

Assay Description
This sodium influx assay employs the use of the cell permeable, sodium sensitive dye ANG2 to quantify sodium ion influx through sodium channels which...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QF8X18
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM373891
PNG
((S)-4-((1-benzyl-3-methylpyrrolidin-3-yl)oxy)-2,6-...)
Show SMILES Cc1c(F)c(c(F)cc1O[C@@]1(C)CCN(Cc2ccccc2)C1)S(=O)(=O)Nc1cscn1 |r|
Show InChI InChI=1S/C22H23F2N3O3S2/c1-15-18(30-22(2)8-9-27(13-22)11-16-6-4-3-5-7-16)10-17(23)21(20(15)24)32(28,29)26-19-12-31-14-25-19/h3-7,10,12,14,26H,8-9,11,13H2,1-2H3/t22-/m0/s1
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St. Jude Research Hospital



Assay Description
Patch voltage clamp electrophysiology allows for the direct measurement and quantification of block of voltage-gated sodium channels (Nay's), and...


J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2HM5BRC
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM373891
PNG
((S)-4-((1-benzyl-3-methylpyrrolidin-3-yl)oxy)-2,6-...)
Show SMILES Cc1c(F)c(c(F)cc1O[C@@]1(C)CCN(Cc2ccccc2)C1)S(=O)(=O)Nc1cscn1 |r|
Show InChI InChI=1S/C22H23F2N3O3S2/c1-15-18(30-22(2)8-9-27(13-22)11-16-6-4-3-5-7-16)10-17(23)21(20(15)24)32(28,29)26-19-12-31-14-25-19/h3-7,10,12,14,26H,8-9,11,13H2,1-2H3/t22-/m0/s1
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TBA

Assay Description
Sodium currents were measured using the patch clamp technique in the whole-cell configuration using either a PatchXpress automated voltage clamp or m...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2XS5ZK1
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM526197
PNG
(4-((2-(azetidin-1-ylmethyl)-6-fluorobenzyl)amino)-...)
Show SMILES Cc1c(NCc2c(F)cccc2CN2CCC2)cc(F)c(c1F)S(=O)(=O)Nc1cscn1
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TBA

Assay Description
This sodium influx assay employs the use of the cell permeable, sodium sensitive dye ANG2 to quantify sodium ion influx through sodium channels which...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QF8X18
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM373891
PNG
((S)-4-((1-benzyl-3-methylpyrrolidin-3-yl)oxy)-2,6-...)
Show SMILES Cc1c(F)c(c(F)cc1O[C@@]1(C)CCN(Cc2ccccc2)C1)S(=O)(=O)Nc1cscn1 |r|
Show InChI InChI=1S/C22H23F2N3O3S2/c1-15-18(30-22(2)8-9-27(13-22)11-16-6-4-3-5-7-16)10-17(23)21(20(15)24)32(28,29)26-19-12-31-14-25-19/h3-7,10,12,14,26H,8-9,11,13H2,1-2H3/t22-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

US Patent


Assay Description
The following patch voltage clamp electrophysiology studies were performed on representative compounds of the invention using human embryonic kidney ...


US Patent US10662184 (2020)


BindingDB Entry DOI: 10.7270/Q2MK6GZP
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM373891
PNG
((S)-4-((1-benzyl-3-methylpyrrolidin-3-yl)oxy)-2,6-...)
Show SMILES Cc1c(F)c(c(F)cc1O[C@@]1(C)CCN(Cc2ccccc2)C1)S(=O)(=O)Nc1cscn1 |r|
Show InChI InChI=1S/C22H23F2N3O3S2/c1-15-18(30-22(2)8-9-27(13-22)11-16-6-4-3-5-7-16)10-17(23)21(20(15)24)32(28,29)26-19-12-31-14-25-19/h3-7,10,12,14,26H,8-9,11,13H2,1-2H3/t22-/m0/s1
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St. Jude Research Hospital



Assay Description
This sodium influx assay employs the use of the cell permeable, sodium sensitive dye ANG2 to quantify sodium ion influx through sodium channels which...


J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2HM5BRC
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM373956
PNG
(4-((1-benzylpiperidin-4-yl)oxy)-2,6-difluoro-3-met...)
Show SMILES Cc1c(F)c(c(F)cc1OC1CCN(Cc2ccccc2)CC1)S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C22H23F2N3O3S2/c1-15-19(30-17-7-10-27(11-8-17)14-16-5-3-2-4-6-16)13-18(23)21(20(15)24)32(28,29)26-22-25-9-12-31-22/h2-6,9,12-13,17H,7-8,10-11,14H2,1H3,(H,25,26)
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n/an/a 9n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
This sodium influx assay employs the use of the cell permeable, sodium sensitive dye ANG2 to quantify sodium ion influx through sodium channels which...


J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2HM5BRC
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM374028
PNG
((S)-4-((1-benzylpyrrolidin-3-yl)(methyl)amino)-2,6...)
Show SMILES CN([C@H]1CCN(Cc2ccccc2)C1)c1cc(F)c(c(F)c1C)S(=O)(=O)Nc1ncns1 |r|
Show InChI InChI=1S/C21H23F2N5O2S2/c1-14-18(27(2)16-8-9-28(12-16)11-15-6-4-3-5-7-15)10-17(22)20(19(14)23)32(29,30)26-21-24-13-25-31-21/h3-7,10,13,16H,8-9,11-12H2,1-2H3,(H,24,25,26)/t16-/m0/s1
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St. Jude Research Hospital



Assay Description
This sodium influx assay employs the use of the cell permeable, sodium sensitive dye ANG2 to quantify sodium ion influx through sodium channels which...


J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2HM5BRC
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM374029
PNG
((S)-4-((1-benzylpyrrolidin-3-yl)(methyl)amino)-2,6...)
Show SMILES CN([C@H]1CCN(Cc2cccc(C)n2)C1)c1cc(F)c(c(F)c1C)S(=O)(=O)Nc1ncns1 |r|
Show InChI InChI=1S/C21H24F2N6O2S2/c1-13-5-4-6-15(26-13)10-29-8-7-16(11-29)28(3)18-9-17(22)20(19(23)14(18)2)33(30,31)27-21-24-12-25-32-21/h4-6,9,12,16H,7-8,10-11H2,1-3H3,(H,24,25,27)/t16-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
This sodium influx assay employs the use of the cell permeable, sodium sensitive dye ANG2 to quantify sodium ion influx through sodium channels which...


J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2HM5BRC
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM526161
PNG
((S)-5-chloro-4-((1-(2,5-difluorophenyl)ethyl)amino...)
Show SMILES C[C@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)c1cc(F)ccc1F |r|
PDB

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n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Patch voltage clamp electrophysiology allows for the direct measurement and quantification of block of voltage-gated sodium channels (NaV's), and...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QF8X18
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM525901
PNG
((S)-5-chloro-4-((1-(5-chloro-2-fluorophenyl)ethyl)...)
Show SMILES C[C@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)c1cc(Cl)ccc1F |r|
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n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Patch voltage clamp electrophysiology allows for the direct measurement and quantification of block of voltage-gated sodium channels (NaV's), and...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QF8X18
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM525934
PNG
(5-chloro-2-fluoro-N-(thiazol-2-yl)-4-((3,3,3-trifl...)
Show SMILES Fc1cc(NC(CC(F)(F)F)c2ccccc2)c(Cl)cc1S(=O)(=O)Nc1nccs1
PDB

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n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Patch voltage clamp electrophysiology allows for the direct measurement and quantification of block of voltage-gated sodium channels (NaV's), and...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QF8X18
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM526203
PNG
(4-((2-(azetidin-1-ylmethyl)benzyl)amino)-2,6-diflu...)
Show SMILES Cc1c(F)c(c(F)cc1NCc1ccccc1CN1CCC1)S(=O)(=O)Nc1ccncn1
PDB

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n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
This sodium influx assay employs the use of the cell permeable, sodium sensitive dye ANG2 to quantify sodium ion influx through sodium channels which...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QF8X18
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM525940
PNG
((S)-5-chloro-2-fluoro-4-((1-(2-fluorophenyl)propyl...)
Show SMILES CC[C@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)c1ccccc1F |r|
PDB

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n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Patch voltage clamp electrophysiology allows for the direct measurement and quantification of block of voltage-gated sodium channels (NaV's), and...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QF8X18
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM373837
PNG
((S)-2,6-difluoro-3-methyl-4-(methyl(1-((6-methylpy...)
Show SMILES CN(C1CCN(Cc2cccc(C)n2)C1)c1cc(F)c(c(F)c1C)S(=O)(=O)Nc1cscn1
Show InChI InChI=1S/C22H25F2N5O2S2/c1-14-5-4-6-16(26-14)10-29-8-7-17(11-29)28(3)19-9-18(23)22(21(24)15(19)2)33(30,31)27-20-12-32-13-25-20/h4-6,9,12-13,17,27H,7-8,10-11H2,1-3H3
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St. Jude Research Hospital



Assay Description
Patch voltage clamp electrophysiology allows for the direct measurement and quantification of block of voltage-gated sodium channels (Nay's), and...


J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2HM5BRC
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM373837
PNG
((S)-2,6-difluoro-3-methyl-4-(methyl(1-((6-methylpy...)
Show SMILES CN(C1CCN(Cc2cccc(C)n2)C1)c1cc(F)c(c(F)c1C)S(=O)(=O)Nc1cscn1
Show InChI InChI=1S/C22H25F2N5O2S2/c1-14-5-4-6-16(26-14)10-29-8-7-17(11-29)28(3)19-9-18(23)22(21(24)15(19)2)33(30,31)27-20-12-32-13-25-20/h4-6,9,12-13,17,27H,7-8,10-11H2,1-3H3
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Xenon Pharmaceuticals Inc.

US Patent


Assay Description
The following patch voltage clamp electrophysiology studies were performed on representative compounds of the invention using human embryonic kidney ...


US Patent US10662184 (2020)


BindingDB Entry DOI: 10.7270/Q2MK6GZP
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM374012
PNG
((S)-4-((1-benzylpyrrolidin-3-yl)(methyl)amino)-2,6...)
Show SMILES CN([C@H]1CCN(Cc2ccccc2)C1)c1cc(F)c(c(F)c1C)S(=O)(=O)Nc1ccsn1 |r|
Show InChI InChI=1S/C22H24F2N4O2S2/c1-15-19(27(2)17-8-10-28(14-17)13-16-6-4-3-5-7-16)12-18(23)22(21(15)24)32(29,30)26-20-9-11-31-25-20/h3-7,9,11-12,17H,8,10,13-14H2,1-2H3,(H,25,26)/t17-/m0/s1
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St. Jude Research Hospital



Assay Description
Patch voltage clamp electrophysiology allows for the direct measurement and quantification of block of voltage-gated sodium channels (Nay's), and...


J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2HM5BRC
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM374012
PNG
((S)-4-((1-benzylpyrrolidin-3-yl)(methyl)amino)-2,6...)
Show SMILES CN([C@H]1CCN(Cc2ccccc2)C1)c1cc(F)c(c(F)c1C)S(=O)(=O)Nc1ccsn1 |r|
Show InChI InChI=1S/C22H24F2N4O2S2/c1-15-19(27(2)17-8-10-28(14-17)13-16-6-4-3-5-7-16)12-18(23)22(21(15)24)32(29,30)26-20-9-11-31-25-20/h3-7,9,11-12,17H,8,10,13-14H2,1-2H3,(H,25,26)/t17-/m0/s1
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Xenon Pharmaceuticals Inc.

US Patent


Assay Description
The following patch voltage clamp electrophysiology studies were performed on representative compounds of the invention using human embryonic kidney ...


US Patent US10662184 (2020)


BindingDB Entry DOI: 10.7270/Q2MK6GZP
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM373837
PNG
((S)-2,6-difluoro-3-methyl-4-(methyl(1-((6-methylpy...)
Show SMILES CN(C1CCN(Cc2cccc(C)n2)C1)c1cc(F)c(c(F)c1C)S(=O)(=O)Nc1cscn1
Show InChI InChI=1S/C22H25F2N5O2S2/c1-14-5-4-6-16(26-14)10-29-8-7-17(11-29)28(3)19-9-18(23)22(21(24)15(19)2)33(30,31)27-20-12-32-13-25-20/h4-6,9,12-13,17,27H,7-8,10-11H2,1-3H3
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TBA

Assay Description
Sodium currents were measured using the patch clamp technique in the whole-cell configuration using either a PatchXpress automated voltage clamp or m...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2XS5ZK1
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM526203
PNG
(4-((2-(azetidin-1-ylmethyl)benzyl)amino)-2,6-diflu...)
Show SMILES Cc1c(F)c(c(F)cc1NCc1ccccc1CN1CCC1)S(=O)(=O)Nc1ccncn1
PDB

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TBA

Assay Description
Patch voltage clamp electrophysiology allows for the direct measurement and quantification of block of voltage-gated sodium channels (NaV's), and...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QF8X18
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM526176
PNG
(4-((2-(azetidin-1-ylmethyl)-3,6-difluorobenzyl)ami...)
Show SMILES Fc1ccc(F)c(CN2CCC2)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1
PDB

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TBA

Assay Description
Patch voltage clamp electrophysiology allows for the direct measurement and quantification of block of voltage-gated sodium channels (NaV's), and...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QF8X18
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM526183
PNG
(4-((2-(azetidin-1-ylmethyl)-6-chlorobenzyl)amino)-...)
Show SMILES Fc1cc(NCc2c(Cl)cccc2CN2CCC2)cc(F)c1S(=O)(=O)Nc1cscn1
PDB

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TBA

Assay Description
Patch voltage clamp electrophysiology allows for the direct measurement and quantification of block of voltage-gated sodium channels (NaV's), and...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QF8X18
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM374012
PNG
((S)-4-((1-benzylpyrrolidin-3-yl)(methyl)amino)-2,6...)
Show SMILES CN([C@H]1CCN(Cc2ccccc2)C1)c1cc(F)c(c(F)c1C)S(=O)(=O)Nc1ccsn1 |r|
Show InChI InChI=1S/C22H24F2N4O2S2/c1-15-19(27(2)17-8-10-28(14-17)13-16-6-4-3-5-7-16)12-18(23)22(21(15)24)32(29,30)26-20-9-11-31-25-20/h3-7,9,11-12,17H,8,10,13-14H2,1-2H3,(H,25,26)/t17-/m0/s1
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n/an/a 11n/an/an/an/an/an/a


TBA

Assay Description
Sodium currents were measured using the patch clamp technique in the whole-cell configuration using either a PatchXpress automated voltage clamp or m...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2XS5ZK1
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM526062
PNG
(2,6-difluoro-4-((2-fluoro-6-((3-hydroxy-3-methylaz...)
Show SMILES CC1(O)CN(Cc2cccc(F)c2CNc2cc(F)c(c(F)c2)S(=O)(=O)Nc2cscn2)C1
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UniChem
US Patent
n/an/a 11n/an/an/an/an/an/a


TBA

Assay Description
This sodium influx assay employs the use of the cell permeable, sodium sensitive dye ANG2 to quantify sodium ion influx through sodium channels which...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QF8X18
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM374029
PNG
((S)-4-((1-benzylpyrrolidin-3-yl)(methyl)amino)-2,6...)
Show SMILES CN([C@H]1CCN(Cc2cccc(C)n2)C1)c1cc(F)c(c(F)c1C)S(=O)(=O)Nc1ncns1 |r|
Show InChI InChI=1S/C21H24F2N6O2S2/c1-13-5-4-6-15(26-13)10-29-8-7-16(11-29)28(3)18-9-17(22)20(19(23)14(18)2)33(30,31)27-21-24-12-25-32-21/h4-6,9,12,16H,7-8,10-11H2,1-3H3,(H,24,25,27)/t16-/m0/s1
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UniChem
US Patent
n/an/a 12n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
Patch voltage clamp electrophysiology allows for the direct measurement and quantification of block of voltage-gated sodium channels (Nay's), and...


J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2HM5BRC
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM444553
PNG
((S)-3-chloro-2,6-difluoro-4-(methyl (1-((6-methylp...)
Show SMILES CN([C@H]1CCN(Cc2cccc(C)n2)C1)c1cc(F)c(c(F)c1Cl)S(=O)(=O)Nc1ncns1 |r|
Show InChI InChI=1S/C20H21ClF2N6O2S2/c1-12-4-3-5-13(26-12)9-29-7-6-14(10-29)28(2)16-8-15(22)19(18(23)17(16)21)33(30,31)27-20-24-11-25-32-20/h3-5,8,11,14H,6-7,9-10H2,1-2H3,(H,24,25,27)/t14-/m0/s1
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US Patent
n/an/a 12n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

US Patent


Assay Description
The following patch voltage clamp electrophysiology studies were performed on representative compounds of the invention using human embryonic kidney ...


US Patent US10662184 (2020)


BindingDB Entry DOI: 10.7270/Q2MK6GZP
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM526081
PNG
(4-((2-(azetidin-1-ylmethyl)-6-fluorobenzyl)amino)-...)
Show SMILES Fc1cccc(CN2CCC2)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1ccsn1
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UniChem
US Patent
n/an/a 12n/an/an/an/an/an/a


TBA

Assay Description
Patch voltage clamp electrophysiology allows for the direct measurement and quantification of block of voltage-gated sodium channels (NaV's), and...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QF8X18
More data for this
Ligand-Target Pair
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