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Compile Data Set for Download or QSAR

Found 3025 hits of ic50 for UniProtKB: Q9UQD0   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM50240277
PNG
(CHEMBL4061793)
Show SMILES Fc1cc(NCC23CCCN2CCC3)c(Cl)cc1S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C17H20ClFN4O2S2/c18-12-9-15(27(24,25)22-16-20-5-8-26-16)13(19)10-14(12)21-11-17-3-1-6-23(17)7-2-4-17/h5,8-10,21H,1-4,6-7,11H2,(H,20,22)
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n/an/a 0.0600n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human Nav1.6 alpha expressed in HEK293 cells incubated for 5 mins with 6 consecutive train pulses to -10 mV at 0.1 Hz and holding poten...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00218
BindingDB Entry DOI: 10.7270/Q2C2514T
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM50240278
PNG
(CHEMBL4062780)
Show SMILES CC1(C)CN2CCC[C@]2(CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)C1 |r|
Show InChI InChI=1S/C19H24ClFN4O2S2/c1-18(2)10-19(4-3-6-25(19)12-18)11-23-15-9-14(21)16(8-13(15)20)29(26,27)24-17-22-5-7-28-17/h5,7-9,23H,3-4,6,10-12H2,1-2H3,(H,22,24)/t19-/m1/s1
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n/an/a 0.0900n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human Nav1.6 alpha expressed in HEK293 cells incubated for 5 mins with 6 consecutive train pulses to -10 mV at 0.1 Hz and holding poten...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00218
BindingDB Entry DOI: 10.7270/Q2C2514T
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM630994
PNG
((S)-N-((R or S)-(3- chloro-4- fluorophenyl)(5- chl...)
Show SMILES Fc1ccc(cc1Cl)C(NC(=O)[C@@H]1CNC(=O)N1)c1cc2cc(Cl)ccc2o1 |r|
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n/an/a 0.200n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM621932
PNG
((S)-N-((R or S)-(3- chloro-4- fluorophenyl)(5- chl...)
Show SMILES Fc1ccc(cc1Cl)[C@H](NC(=O)[C@@H]1CNC(=O)N1)c1cc2cc(Cl)ccc2o1 |r|
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n/an/a 0.200n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM621933
PNG
((S)-N-((R or S)-(3- chloro-4- fluorophenyl)(5- chl...)
Show SMILES Fc1ccc(cc1Cl)[C@@H](NC(=O)[C@@H]1CNC(=O)N1)c1cc2cc(Cl)ccc2o1 |r|
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Citation and Details
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM630994
PNG
((S)-N-((R or S)-(3- chloro-4- fluorophenyl)(5- chl...)
Show SMILES Fc1ccc(cc1Cl)C(NC(=O)[C@@H]1CNC(=O)N1)c1cc2cc(Cl)ccc2o1 |r|
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n/an/a 0.200n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Sodium channel protein type 1/10/11/2/3/4/5/8/9 subunit alpha


(Homo sapiens (Human))
BDBM71381
PNG
(US9546164, 440 | US9694002, 440)
Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(Cc3cc(Cl)cc(Cl)c3)C2)cc1F |r|
Show InChI InChI=1S/C23H25Cl2FN2O4S/c1-33(30,31)27-23(29)20-10-19(15-4-5-15)22(11-21(20)26)32-18-3-2-6-28(13-18)12-14-7-16(24)9-17(25)8-14/h7-11,15,18H,2-6,12-13H2,1H3,(H,27,29)/t18-/m1/s1
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US Patent
n/an/a 0.300n/an/an/an/a7.425



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent


Assay Description
Binding of this radioligand was preformed in 5 mL borosilicate glass test tubes at room temperature. Binding was initiated by adding membranes to inc...


US Patent US9694002 (2017)


BindingDB Entry DOI: 10.7270/Q24B2ZFG
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM621910
PNG
((S)-N-((R or S)-(3- chloro-4- fluorophenyl)(5-chlo...)
Show SMILES Fc1ccc(cc1Cl)C(NC(=O)[C@@H]1CNC(=O)N1)c1ccc(Cl)c(n1)C(F)(F)F |r|
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n/an/a 0.400n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM621911
PNG
((S)-N-((R or S)-(3- chloro-4- fluorophenyl)(5-chlo...)
Show SMILES Fc1ccc(cc1Cl)[C@@H](NC(=O)[C@@H]1CNC(=O)N1)c1ccc(Cl)c(n1)C(F)(F)F |r|
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n/an/a 0.400n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM621824
PNG
((S)-N-((R or S)-(4- chlorophenyl)(4- fluoro-3-(tri...)
Show SMILES Fc1ccc(cc1C(F)(F)F)[C@@H](NC(=O)[C@@H]1CNC(=O)N1)c1ccc(Cl)cc1 |r|
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n/an/a 0.600n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM630957
PNG
((S)-N-((R or S)-(4- chlorophenyl)(4- fluoro-3-(tri...)
Show SMILES Fc1ccc(cc1C(F)(F)F)C(NC(=O)[C@@H]1CNC(=O)N1)c1ccc(Cl)cc1 |r|
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n/an/a 0.600n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM621909
PNG
((S)-N-(bis(3-chloro-4- fluorophenyl)methyl)- 2-oxo...)
Show SMILES Fc1ccc(cc1Cl)C(NC(=O)[C@@H]1CNC(=O)N1)c1ccc(F)c(Cl)c1 |r|
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n/an/a 0.700n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM621909
PNG
((S)-N-(bis(3-chloro-4- fluorophenyl)methyl)- 2-oxo...)
Show SMILES Fc1ccc(cc1Cl)C(NC(=O)[C@@H]1CNC(=O)N1)c1ccc(F)c(Cl)c1 |r|
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n/an/a 0.700n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM50118514
PNG
(CHEMBL3617063 | US9481677, 38)
Show SMILES Nc1nc2cc(ccc2[nH]1)-c1cc(Cl)ccc1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1
Show InChI InChI=1S/C21H13ClF2N6O3S2/c22-11-2-4-17(12(6-11)10-1-3-15-16(5-10)29-20(25)28-15)33-18-7-14(24)19(8-13(18)23)35(31,32)30-21-26-9-27-34-21/h1-9H,(H3,25,28,29)(H,26,27,30)
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n/an/a 0.800n/an/an/an/an/an/a



Xenon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length human Nav1.6 channel expressed in HEK cells co-expressing human sodium channel subunit beta1 at holding potential -35 mV by...


ACS Med Chem Lett 7: 277-82 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00447
BindingDB Entry DOI: 10.7270/Q2J1052W
More data for this
Ligand-Target Pair
Sodium channel protein type 1/10/11/2/3/4/5/8/9 subunit alpha


(Homo sapiens (Human))
BDBM71340
PNG
(US9546164, 411 | US9694002, 411)
Show SMILES Fc1cc(OCC2CCN(CC2)C(c2ccccc2)c2cc(Cl)cc(Cl)c2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
Show InChI InChI=1S/C32H33Cl2FN2O4S/c33-24-14-23(15-25(34)16-24)31(22-4-2-1-3-5-22)37-12-10-20(11-13-37)19-41-30-18-29(35)28(17-27(30)21-6-7-21)32(38)36-42(39,40)26-8-9-26/h1-5,14-18,20-21,26,31H,6-13,19H2,(H,36,38)
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n/an/a 0.800n/an/an/an/a7.425



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent


Assay Description
Binding of this radioligand was preformed in 5 mL borosilicate glass test tubes at room temperature. Binding was initiated by adding membranes to inc...


US Patent US9694002 (2017)


BindingDB Entry DOI: 10.7270/Q24B2ZFG
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))
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))
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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n/an/a 1n/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))
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


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2TM7G2M
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
Patch voltage clamp electrophysiology allows for the direct measurement and quantification of block of voltage-gated sodium channels (Nay's), and...


US Patent US10815229 (2020)


BindingDB Entry DOI: 10.7270/Q2MS3WTS
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


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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n/an/a 1n/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))
BDBM621868
PNG
((S)-N-((R or S)-(3- chloro-2,4- difluorophenyl)(5-...)
Show SMILES Fc1ccc(C(NC(=O)[C@@H]2CNC(=O)N2)c2cnc(c(Cl)c2)C(F)(F)F)c(F)c1Cl |r|
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n/an/a 1.10n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM621868
PNG
((S)-N-((R or S)-(3- chloro-2,4- difluorophenyl)(5-...)
Show SMILES Fc1ccc(C(NC(=O)[C@@H]2CNC(=O)N2)c2cnc(c(Cl)c2)C(F)(F)F)c(F)c1Cl |r|
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM621822
PNG
((S)-N-((R or S)-(3- choro-4-fluoro- phenyl)(2-(1- ...)
Show SMILES Fc1ccc(cc1Cl)[C@H](NC(=O)[C@@H]1CNC(=O)N1)c1csc(n1)C1(CC1)C(F)(F)F |r|
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n/an/a 1.10n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM621816
PNG
((4S)-N-[((R or S)-5- chloro-6-cyclo- propylpyridin...)
Show SMILES Fc1ccc([C@@H](NC(=O)[C@@H]2CNC(=O)N2)c2cnc(C3CC3)c(Cl)c2)c(F)c1Cl |r|
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More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM621746
PNG
(BDBM621803 | US11802122, Example 7A | US2023031252...)
Show SMILES Fc1ccc(nc1C(F)(F)F)C(NC(=O)[C@@H]1CNC(=O)N1)c1ccc(OC(F)(F)F)cc1 |r|
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More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM630953
PNG
((S)-N-((R or S)-(3- choro-4-fluoro- phenyl)(2-(1- ...)
Show SMILES Fc1ccc(cc1Cl)C(NC(=O)[C@@H]1CNC(=O)N1)c1csc(n1)C1(CC1)C(F)(F)F |r|
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Citation and Details
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM630941
PNG
((4S)-N-[((R or S)-5- chloro-6-cyclo- propylpyridin...)
Show SMILES Fc1ccc(C(NC(=O)[C@@H]2CNC(=O)N2)c2cnc(C3CC3)c(Cl)c2)c(F)c1Cl |r|
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Citation and Details
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM621746
PNG
(BDBM621803 | US11802122, Example 7A | US2023031252...)
Show SMILES Fc1ccc(nc1C(F)(F)F)C(NC(=O)[C@@H]1CNC(=O)N1)c1ccc(OC(F)(F)F)cc1 |r|
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Citation and Details
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM190233
PNG
(US9174999, Table 1, Compound 1)
Show SMILES NC(=O)OC[C@@H]1NC(=N)N2CCC(O)(O)[C@@]22NC(=N)N[C@@H]12 |r|
Show InChI InChI=1S/C10H17N7O4/c11-6-15-5-4(3-21-8(13)18)14-7(12)17-2-1-9(19,20)10(5,17)16-6/h4-5,19-20H,1-3H2,(H2,12,14)(H2,13,18)(H3,11,15,16)/t4-,5-,10-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



SiteOne Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.6 expressed in HEK293 cells by electrophysiology assay


J Med Chem 62: 8695-8710 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01906
BindingDB Entry DOI: 10.7270/Q2M90CZD
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM50597018
PNG
(CHEMBL5182397)
Show SMILES FC(F)(F)c1cc(ccc1Cl)C(NC(=O)[C@@H]1CNC(=O)C1)c1ccc(Cl)cc1 |r|
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Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00144
BindingDB Entry DOI: 10.7270/Q2SX6J73
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM621869
PNG
((S)-N-((R)-3-chloro-4-(trifluoromethoxy)phenyl)(5-...)
Show SMILES FC(F)(F)Oc1ccc(nc1)[C@@H](NC(=O)[C@@H]1CNC(=O)N1)c1ccc(OC(F)(F)F)c(Cl)c1 |r|
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Citation and Details
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM621859
PNG
((S)-N-((R)-(3-chloro-2,4-difluorophenyl)(6-(2,2,2-...)
Show SMILES Fc1ccc([C@@H](NC(=O)[C@@H]2CNC(=O)N2)c2ccc(OCC(F)(F)F)nc2)c(F)c1Cl |r|
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Citation and Details
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM631047
PNG
((S)—N—((R)-3-chloro-4-(trifluoromethoxy)...)
Show SMILES FC(F)(F)Oc1ccc(nc1)C(NC(=O)[C@@H]1CNC(=O)N1)c1ccc(OC(F)(F)F)c(Cl)c1 |r|
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Citation and Details
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM631027
PNG
((S)—N—((R)-(3-chloro-2,4-difluorophenyl)...)
Show SMILES Fc1ccc(C(NC(=O)[C@@H]2CNC(=O)N2)c2ccc(OCC(F)(F)F)nc2)c(F)c1Cl |r|
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Citation and Details
More data for this
Ligand-Target Pair
Sodium channel protein type 1/10/11/2/3/4/5/8/9 subunit alpha


(Homo sapiens (Human))
BDBM71351
PNG
(US9546164, 422 | US9694002, 422)
Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(Cc3cc(Cl)cc(OC(F)(F)F)c3)C2)cc1F |r|
Show InChI InChI=1S/C24H25ClF4N2O5S/c1-37(33,34)30-23(32)20-10-19(15-4-5-15)22(11-21(20)26)35-17-3-2-6-31(13-17)12-14-7-16(25)9-18(8-14)36-24(27,28)29/h7-11,15,17H,2-6,12-13H2,1H3,(H,30,32)/t17-/m1/s1
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n/an/a 1.30n/an/an/an/a7.425



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent


Assay Description
Binding of this radioligand was preformed in 5 mL borosilicate glass test tubes at room temperature. Binding was initiated by adding membranes to inc...


US Patent US9694002 (2017)


BindingDB Entry DOI: 10.7270/Q24B2ZFG
More data for this
Ligand-Target Pair
Sodium channel protein type 1/10/11/2/3/4/5/8/9 subunit alpha


(Homo sapiens (Human))
BDBM71341
PNG
(US9546164, 412 | US9694002, 412)
Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)C(c2ccccc2)c2cc(Cl)cc(Cl)c2)cc1F
Show InChI InChI=1S/C30H31Cl2FN2O4S/c1-40(37,38)34-30(36)26-16-25(20-7-8-20)28(17-27(26)33)39-18-19-9-11-35(12-10-19)29(21-5-3-2-4-6-21)22-13-23(31)15-24(32)14-22/h2-6,13-17,19-20,29H,7-12,18H2,1H3,(H,34,36)
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n/an/a 1.5n/an/an/an/a7.425



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent


Assay Description
Binding of this radioligand was preformed in 5 mL borosilicate glass test tubes at room temperature. Binding was initiated by adding membranes to inc...


US Patent US9694002 (2017)


BindingDB Entry DOI: 10.7270/Q24B2ZFG
More data for this
Ligand-Target Pair
Sodium channel protein type 1/10/11/2/3/4/5/8/9 subunit alpha


(Homo sapiens (Human))
BDBM71193
PNG
(US9546164, 300 | US9694002, 300)
Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)C(c2ccc(F)cc2Cl)C(F)(F)F)cc1F
Show InChI InChI=1S/C25H26ClF5N2O4S/c1-38(35,36)32-24(34)19-11-18(15-2-3-15)22(12-21(19)28)37-13-14-6-8-33(9-7-14)23(25(29,30)31)17-5-4-16(27)10-20(17)26/h4-5,10-12,14-15,23H,2-3,6-9,13H2,1H3,(H,32,34)
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n/an/a 1.60n/an/an/an/a7.425



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent


Assay Description
Binding of this radioligand was preformed in 5 mL borosilicate glass test tubes at room temperature. Binding was initiated by adding membranes to inc...


US Patent US9694002 (2017)


BindingDB Entry DOI: 10.7270/Q24B2ZFG
More data for this
Ligand-Target Pair
Sodium channel protein type 1/10/11/2/3/4/5/8/9 subunit alpha


(Homo sapiens (Human))
BDBM71101
PNG
(US9546164, 236 | US9694002, 236)
Show SMILES C[C@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1F |r|
Show InChI InChI=1S/C25H28Cl2F2N2O4S/c1-14(18-9-17(26)10-21(27)24(18)29)31-7-5-15(6-8-31)13-35-23-12-22(28)20(11-19(23)16-3-4-16)25(32)30-36(2,33)34/h9-12,14-16H,3-8,13H2,1-2H3,(H,30,32)/t14-/m0/s1
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n/an/a 1.60n/an/an/an/a7.425



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent


Assay Description
Binding of this radioligand was preformed in 5 mL borosilicate glass test tubes at room temperature. Binding was initiated by adding membranes to inc...


US Patent US9694002 (2017)


BindingDB Entry DOI: 10.7270/Q24B2ZFG
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM621743
PNG
(BDBM621800 | US11802122, Example 5A | US2023031252...)
Show SMILES Fc1ccc(C(NC(=O)[C@@H]2CNC(=O)N2)C2CCN(CC2)C2(CC2)C(F)(F)F)c(F)c1Cl |r|
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Citation and Details
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM621743
PNG
(BDBM621800 | US11802122, Example 5A | US2023031252...)
Show SMILES Fc1ccc(C(NC(=O)[C@@H]2CNC(=O)N2)C2CCN(CC2)C2(CC2)C(F)(F)F)c(F)c1Cl |r|
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More data for this
Ligand-Target Pair
Sodium channel protein type 1/10/11/2/3/4/5/8/9 subunit alpha


(Homo sapiens (Human))
BDBM71063
PNG
(US9546164, 208 | US9694002, 208)
Show SMILES CCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)[C@@H](c2cc(Cl)cc(Cl)c2)C(C)(C)OC)cc1F |r|
Show InChI InChI=1S/C29H37Cl2FN2O5S/c1-5-40(36,37)33-28(35)24-15-23(19-6-7-19)26(16-25(24)32)39-17-18-8-10-34(11-9-18)27(29(2,3)38-4)20-12-21(30)14-22(31)13-20/h12-16,18-19,27H,5-11,17H2,1-4H3,(H,33,35)/t27-/m0/s1
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n/an/a 1.60n/an/an/an/a7.425



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent


Assay Description
Binding of this radioligand was preformed in 5 mL borosilicate glass test tubes at room temperature. Binding was initiated by adding membranes to inc...


US Patent US9694002 (2017)


BindingDB Entry DOI: 10.7270/Q24B2ZFG
More data for this
Ligand-Target Pair
Sodium channel protein type 1/10/11/2/3/4/5/8/9 subunit alpha


(Homo sapiens (Human))
BDBM70878
PNG
(US9546164, 52 | US9694002, 52)
Show SMILES C[C@@H]1CC[C@H](CN1Cc1ccc(F)cc1Cl)Oc1cc(F)c(cc1C1CC1)C(=O)NS(C)(=O)=O |r|
Show InChI InChI=1S/C24H27ClF2N2O4S/c1-14-3-8-18(13-29(14)12-16-6-7-17(26)9-21(16)25)33-23-11-22(27)20(10-19(23)15-4-5-15)24(30)28-34(2,31)32/h6-7,9-11,14-15,18H,3-5,8,12-13H2,1-2H3,(H,28,30)/t14-,18-/m1/s1
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n/an/a<1.60n/an/an/an/a7.425



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent


Assay Description
Binding of this radioligand was preformed in 5 mL borosilicate glass test tubes at room temperature. Binding was initiated by adding membranes to inc...


US Patent US9694002 (2017)


BindingDB Entry DOI: 10.7270/Q24B2ZFG
More data for this
Ligand-Target Pair
Sodium channel protein type 1/10/11/2/3/4/5/8/9 subunit alpha


(Homo sapiens (Human))
BDBM71055
PNG
(US9546164, 202 | US9694002, 202)
Show SMILES COC[C@@](C)(N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1S/C27H33Cl2FN2O5S/c1-27(16-36-2,19-10-20(28)12-21(29)11-19)32-8-6-17(7-9-32)15-37-25-14-24(30)23(13-22(25)18-4-5-18)26(33)31-38(3,34)35/h10-14,17-18H,4-9,15-16H2,1-3H3,(H,31,33)/t27-/m1/s1
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n/an/a 1.60n/an/an/an/a7.425



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent


Assay Description
Binding of this radioligand was preformed in 5 mL borosilicate glass test tubes at room temperature. Binding was initiated by adding membranes to inc...


US Patent US9694002 (2017)


BindingDB Entry DOI: 10.7270/Q24B2ZFG
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM631055
PNG
((S)—N—((R)-(3-chloro-4-(trifluoromethoxy...)
Show SMILES FC(F)(F)Oc1ccc(cc1Cl)C(NC(=O)[C@@H]1CNC(=O)N1)c1cnn(c1)C(F)(F)F |r|
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Citation and Details
More data for this
Ligand-Target Pair
Sodium channel protein type 1/10/11/2/3/4/5/8/9 subunit alpha


(Homo sapiens (Human))
BDBM71062
PNG
(US9546164, 207 | US9694002, 207)
Show SMILES CCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)[C@H](c2cc(Cl)cc(Cl)c2)C(C)(C)OC)cc1F |r|
Show InChI InChI=1S/C29H37Cl2FN2O5S/c1-5-40(36,37)33-28(35)24-15-23(19-6-7-19)26(16-25(24)32)39-17-18-8-10-34(11-9-18)27(29(2,3)38-4)20-12-21(30)14-22(31)13-20/h12-16,18-19,27H,5-11,17H2,1-4H3,(H,33,35)/t27-/m1/s1
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n/an/a 1.70n/an/an/an/a7.425



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent


Assay Description
Binding of this radioligand was preformed in 5 mL borosilicate glass test tubes at room temperature. Binding was initiated by adding membranes to inc...


US Patent US9694002 (2017)


BindingDB Entry DOI: 10.7270/Q24B2ZFG
More data for this
Ligand-Target Pair
Sodium channel protein type 1/10/11/2/3/4/5/8/9 subunit alpha


(Homo sapiens (Human))
BDBM70836
PNG
(US9694002, 23)
Show SMILES Fc1cc(O[C@@H]2CCCN(Cc3ccccc3Cl)C2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1 |r|
Show InChI InChI=1S/C25H28ClFN2O4S/c26-22-6-2-1-4-17(22)14-29-11-3-5-18(15-29)33-24-13-23(27)21(12-20(24)16-7-8-16)25(30)28-34(31,32)19-9-10-19/h1-2,4,6,12-13,16,18-19H,3,5,7-11,14-15H2,(H,28,30)/t18-/m1/s1
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n/an/a 1.70n/an/an/an/a7.425



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent


Assay Description
Binding of this radioligand was preformed in 5 mL borosilicate glass test tubes at room temperature. Binding was initiated by adding membranes to inc...


US Patent US9694002 (2017)


BindingDB Entry DOI: 10.7270/Q24B2ZFG
More data for this
Ligand-Target Pair
Sodium channel protein type 1/10/11/2/3/4/5/8/9 subunit alpha


(Homo sapiens (Human))
BDBM70848
PNG
(US9694002, 29)
Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)cc1F |r|
Show InChI InChI=1S/C23H25Cl2FN2O4S/c1-33(30,31)27-23(29)19-10-18(14-4-5-14)22(11-21(19)26)32-17-3-2-8-28(13-17)12-15-6-7-16(24)9-20(15)25/h6-7,9-11,14,17H,2-5,8,12-13H2,1H3,(H,27,29)/t17-/m1/s1
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n/an/a 1.70n/an/an/an/a7.425



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent


Assay Description
Binding of this radioligand was preformed in 5 mL borosilicate glass test tubes at room temperature. Binding was initiated by adding membranes to inc...


US Patent US9694002 (2017)


BindingDB Entry DOI: 10.7270/Q24B2ZFG
More data for this
Ligand-Target Pair
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