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Compile Data Set for Download or QSAR

Found 1656 hits of ic50 for UniProtKB: P35498   
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 1 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 2.30n/an/an/an/an/an/a



SiteOne Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.1 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 1 subunit alpha


(Homo sapiens (Human))
BDBM50344821
PNG
(10-hydroxymethyl-5-imino-(2S)-12,13-dioxa-4,6-diaz...)
Show SMILES NC1=N[C@H](O)[C@H]2[C@H]3O[C@]4(O)O[C@@H]([C@@H](O)[C@@]2(N1)[C@@H]4O)[C@]3(O)CO |r,t:1,TLB:13:12:16:6.7.5,18:11:16:6.7.5,18:6:16:11.10.12,19:18:7:16.14.5,20:18:7:16.14.5,THB:12:11:7:16.14.5,3:5:16:11.10.12|
Show InChI InChI=1S/C11H17N3O8/c12-8-13-6(17)2-4-9(19,1-15)5-3(16)10(2,14-8)7(18)11(20,21-4)22-5/h2-7,15-20H,1H2,(H3,12,13,14)/t2-,3-,4-,5+,6-,7+,9+,10-,11+/m1/s1
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n/an/a 4.10n/an/an/an/an/an/a



SiteOne Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.1 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 1 subunit alpha


(Homo sapiens (Human))
BDBM145591
PNG
(US8952169, 389)
Show SMILES CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CCC2(CC2)CC1
Show InChI InChI=1S/C23H30FNO4S/c1-22(6-8-23(9-7-22)10-11-23)14-29-20-13-19(24)18(12-17(20)15-2-3-15)21(26)25-30(27,28)16-4-5-16/h12-13,15-16H,2-11,14H2,1H3,(H,25,26)
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n/an/a 6n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Sodium channel protein type 1 subunit alpha


(Homo sapiens (Human))
BDBM145591
PNG
(US8952169, 389)
Show SMILES CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CCC2(CC2)CC1
Show InChI InChI=1S/C23H30FNO4S/c1-22(6-8-23(9-7-22)10-11-23)14-29-20-13-19(24)18(12-17(20)15-2-3-15)21(26)25-30(27,28)16-4-5-16/h12-13,15-16H,2-11,14H2,1H3,(H,25,26)
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SiteOne Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.1 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 1 subunit alpha


(Homo sapiens (Human))
BDBM145285
PNG
(US8952169, 64 | US9771376, Example 64)
Show SMILES Fc1cc(OCC23CC4CC(CC(C4)C2)C3)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1 |TLB:5:6:9:13.12.11,15:6:13:9.10.11,THB:15:10:13:6.14.7,14:6:9:13.12.11,14:12:9:6.15.7|
Show InChI InChI=1S/C24H31FN2O4S/c25-21-10-22(31-14-24-11-15-6-16(12-24)8-17(7-15)13-24)19(18-2-3-18)9-20(21)23(28)26-32(29,30)27-4-1-5-27/h9-10,15-18H,1-8,11-14H2,(H,26,28)
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n/an/a 11n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length human Nav1.1 expressed in HEK cells by whole cell voltage clamp analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00049
BindingDB Entry DOI: 10.7270/Q2WW7NKS
More data for this
Ligand-Target Pair
Sodium channel protein type 1 subunit alpha


(Homo sapiens (Human))
BDBM145285
PNG
(US8952169, 64 | US9771376, Example 64)
Show SMILES Fc1cc(OCC23CC4CC(CC(C4)C2)C3)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1 |TLB:5:6:9:13.12.11,15:6:13:9.10.11,THB:15:10:13:6.14.7,14:6:9:13.12.11,14:12:9:6.15.7|
Show InChI InChI=1S/C24H31FN2O4S/c25-21-10-22(31-14-24-11-15-6-16(12-24)8-17(7-15)13-24)19(18-2-3-18)9-20(21)23(28)26-32(29,30)27-4-1-5-27/h9-10,15-18H,1-8,11-14H2,(H,26,28)
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SiteOne Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.1 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 1 subunit alpha


(Homo sapiens (Human))
BDBM50051073
PNG
(CHEMBL3318132)
Show SMILES [H][C@]12CSSC[C@]3([H])NC(=O)[C@@]([H])(NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@]([H])(NC(=O)[C@]([H])(CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC3=O)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](C(C)C)C(=O)N2)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O |r|
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SiteOne Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.1 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 1 subunit alpha


(Homo sapiens (Human))
BDBM50118516
PNG
(CHEMBL3617053)
Show SMILES O=C(Nc1ccc(cc1)S(=O)(=O)Nc1nccs1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H19N3O3S2/c27-22(21(17-7-3-1-4-8-17)18-9-5-2-6-10-18)25-19-11-13-20(14-12-19)31(28,29)26-23-24-15-16-30-23/h1-16,21H,(H,24,26)(H,25,27)
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n/an/a<20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.1 channel by patch clamp electrophysiology assay


J Med Chem 58: 7093-118 (2015)


Article DOI: 10.1021/jm501981g
BindingDB Entry DOI: 10.7270/Q2XS5X6P
More data for this
Ligand-Target Pair
Sodium channel protein type 1 subunit alpha


(Homo sapiens (Human))
BDBM50344821
PNG
(10-hydroxymethyl-5-imino-(2S)-12,13-dioxa-4,6-diaz...)
Show SMILES NC1=N[C@H](O)[C@H]2[C@H]3O[C@]4(O)O[C@@H]([C@@H](O)[C@@]2(N1)[C@@H]4O)[C@]3(O)CO |r,t:1,TLB:13:12:16:6.7.5,18:11:16:6.7.5,18:6:16:11.10.12,19:18:7:16.14.5,20:18:7:16.14.5,THB:12:11:7:16.14.5,3:5:16:11.10.12|
Show InChI InChI=1S/C11H17N3O8/c12-8-13-6(17)2-4-9(19,1-15)5-3(16)10(2,14-8)7(18)11(20,21-4)22-5/h2-7,15-20H,1H2,(H3,12,13,14)/t2-,3-,4-,5+,6-,7+,9+,10-,11+/m1/s1
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n/an/a<30n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of voltage-gated Na channel 1.1 (unknown origin)


J Med Chem 56: 593-624 (2013)


Article DOI: 10.1021/jm3011433
BindingDB Entry DOI: 10.7270/Q23B61GZ
More data for this
Ligand-Target Pair
Sodium channel protein type 1 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
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n/an/a 31n/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 1 subunit alpha


(Homo sapiens (Human))
BDBM50505258
PNG
(CHEMBL4588728)
Show SMILES CSCC[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCCCN)NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC3=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N2)NC(=O)[C@@H](N)CC(O)=O |r|
Show InChI InChI=1S/C183H265N49O54S8/c1-93(2)69-120-151(255)198-85-139(238)203-132-86-289-292-89-135-178(282)212-116(54-56-140(239)240)160(264)205-112(42-22-27-63-187)158(262)222-129(79-144(247)248)169(273)211-117(55-57-141(241)242)161(265)223-131(81-146(251)252)171(275)229-137(179(283)230-136(177(281)209-113(43-23-28-64-188)157(261)221-127(167(271)216-120)76-103-83-194-92-200-103)90-293-291-88-134(226-150(254)107(189)77-142(243)244)176(280)210-115(45-30-66-196-183(192)193)159(263)218-122(73-100-46-50-104(235)51-47-100)164(268)214-119(59-68-288-7)163(267)217-121(70-97-31-11-8-12-32-97)152(256)199-84-138(237)202-128(78-143(245)246)168(272)228-135)91-294-290-87-133(227-165(269)123(74-101-48-52-105(236)53-49-101)219-156(260)111(41-21-26-62-186)206-162(266)118(58-67-287-6)213-154(258)109(39-19-24-60-184)204-155(259)114(44-29-65-195-182(190)191)207-153(257)110(208-175(132)279)40-20-25-61-185)174(278)201-94(3)149(253)215-126(75-102-82-197-108-38-18-17-37-106(102)108)166(270)224-130(80-145(249)250)170(274)220-124(71-98-33-13-9-14-34-98)172(276)231-147(95(4)233)180(284)225-125(72-99-35-15-10-16-36-99)173(277)232-148(96(5)234)181(285)286/h8-18,31-38,46-53,82-83,92-96,107,109-137,147-148,197,233-236H,19-30,39-45,54-81,84-91,184-189H2,1-7H3,(H,194,200)(H,198,255)(H,199,256)(H,201,278)(H,202,237)(H,203,238)(H,204,259)(H,205,264)(H,206,266)(H,207,257)(H,208,279)(H,209,281)(H,210,280)(H,211,273)(H,212,282)(H,213,258)(H,214,268)(H,215,253)(H,216,271)(H,217,267)(H,218,263)(H,219,260)(H,220,274)(H,221,261)(H,222,262)(H,223,265)(H,224,270)(H,225,284)(H,226,254)(H,227,269)(H,228,272)(H,229,275)(H,230,283)(H,231,276)(H,232,277)(H,239,240)(H,241,242)(H,243,244)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,285,286)(H4,190,191,195)(H4,192,193,196)/t94-,95+,96+,107-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,147-,148-/m0/s1
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SiteOne Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.1 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 1 subunit alpha


(Homo sapiens (Human))
BDBM268418
PNG
(N-(7-(adamantan-1-ylmethoxy)-6-ethyl-[1,2,4]triazo...)
Show SMILES O=S(=O)(Nc1nnc2cc(OCC34CC5CC(CC(C5)C3)C4)c(cn12)C1CC1)C1CC1 |TLB:21:12:19:15.17.16,11:12:19:15.17.16,THB:17:18:13:15.16.21,17:16:13:19.18.20,21:16:19:12.13.20|
Show InChI InChI=1S/C23H30N4O3S/c28-31(29,18-3-4-18)26-22-25-24-21-8-20(19(12-27(21)22)17-1-2-17)30-13-23-9-14-5-15(10-23)7-16(6-14)11-23/h8,12,14-18H,1-7,9-11,13H2,(H,25,26)
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n/an/a 45n/an/an/an/an/an/a



Xenon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of inactivated state of recombinant human NaV1.1 expressed in HEK293 cell membranes coexpressing Nav beta1 subunit assessed as decrease in...


J Med Chem 61: 4810-4831 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01826
BindingDB Entry DOI: 10.7270/Q2BV7K92
More data for this
Ligand-Target Pair
Sodium channel protein type 1 subunit alpha


(Homo sapiens (Human))
BDBM145466
PNG
(US8952169, 245)
Show SMILES CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CCC(F)(F)CC1
Show InChI InChI=1S/C21H26F3NO4S/c1-20(6-8-21(23,24)9-7-20)12-29-18-11-17(22)16(10-15(18)13-2-3-13)19(26)25-30(27,28)14-4-5-14/h10-11,13-14H,2-9,12H2,1H3,(H,25,26)
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Sodium channel protein type 1 subunit alpha


(Homo sapiens (Human))
BDBM526158
PNG
((S)-5-chloro-2-fluoro-N-(5-fluorothiazol-2-yl)-4-(...)
Show SMILES CC[C@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ncc(F)s1)c1ccccc1 |r|
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n/an/a 50n/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 1 subunit alpha


(Homo sapiens (Human))
BDBM268423
PNG
(N-(7-((3r,5r,7r)-adamantan-1-ylmethoxy)-6-cyclopro...)
Show SMILES CS(=O)(=O)Nc1nnc2cc(OCC34CC5CC(CC(C5)C3)C4)c(cn12)C1CC1 |TLB:22:13:20:16.18.17,16:17:21:15.20.14,THB:22:17:20:21.13.14,16:15:21:22.18.17,12:13:20:16.18.17|
Show InChI InChI=1S/C21H28N4O3S/c1-29(26,27)24-20-23-22-19-7-18(17(11-25(19)20)16-2-3-16)28-12-21-8-13-4-14(9-21)6-15(5-13)10-21/h7,11,13-16H,2-6,8-10,12H2,1H3,(H,23,24)
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Xenon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of inactivated state of recombinant human NaV1.1 expressed in HEK293 cell membranes coexpressing Nav beta1 subunit assessed as decrease in...


J Med Chem 61: 4810-4831 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01826
BindingDB Entry DOI: 10.7270/Q2BV7K92
More data for this
Ligand-Target Pair
Sodium channel protein type 1 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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TBA

Assay Description
Inhibition of human Nav1.1 by V1/2 protocol based analysis


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 1 subunit alpha


(Homo sapiens (Human))
BDBM50505257
PNG
(CHEMBL4471012)
Show SMILES C[C@@H](N1CC[C@H](C1)n1nc(C)c2cc(C(=O)NS(=O)(=O)C3CC3)c(F)cc12)c1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1S/C24H25Cl2FN4O3S/c1-13-20-10-21(24(32)29-35(33,34)19-3-4-19)22(27)11-23(20)31(28-13)18-5-6-30(12-18)14(2)15-7-16(25)9-17(26)8-15/h7-11,14,18-19H,3-6,12H2,1-2H3,(H,29,32)/t14-,18-/m1/s1
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TBA

Assay Description
Concentration at which the clotting time was prolonged by twice that of the control by inhibiting thrombin


Citation and Details
More data for this
Ligand-Target Pair
Sodium channel protein type 1 subunit alpha


(Homo sapiens (Human))
BDBM525920
PNG
((S)-2,6-difluoro-4-((1-(2-fluorophenyl)ethyl)amino...)
Show SMILES C[C@H](Nc1cc(F)c(c(F)c1)S(=O)(=O)Nc1nccs1)c1ccccc1F |r|
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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 1 subunit alpha


(Homo sapiens (Human))
BDBM268527
PNG
(N-(6-cyclopropyl-7-((3,5-dichlorophenoxy)methyl)-[...)
Show SMILES CS(=O)(=O)Nc1nnc2cc(COc3cc(Cl)cc(Cl)c3)c(cn12)C1CC1
Show InChI InChI=1S/C17H16Cl2N4O3S/c1-27(24,25)22-17-21-20-16-4-11(15(8-23(16)17)10-2-3-10)9-26-14-6-12(18)5-13(19)7-14/h4-8,10H,2-3,9H2,1H3,(H,21,22)
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n/an/a 112n/an/an/an/an/an/a



Xenon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of inactivated state of recombinant human NaV1.1 expressed in HEK293 cell membranes coexpressing Nav beta1 subunit assessed as decrease in...


J Med Chem 61: 4810-4831 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01826
BindingDB Entry DOI: 10.7270/Q2BV7K92
More data for this
Ligand-Target Pair
Sodium channel protein type 1 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|
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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 1 subunit alpha


(Homo sapiens (Human))
BDBM526159
PNG
((S)-5-chloro-2-fluoro-4-((1-(2-fluorophenyl)ethyl)...)
Show SMILES C[C@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ncc(F)s1)c1ccccc1F |r|
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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 1 subunit alpha


(Homo sapiens (Human))
BDBM525987
PNG
(5-chloro-2-fluoro-4-((5,6,7,8-tetrahydroisoquinoli...)
Show SMILES Fc1cc(NC2CCCc3cnccc23)c(Cl)cc1S(=O)(=O)Nc1nccs1
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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 1 subunit alpha


(Homo sapiens (Human))
BDBM526019
PNG
((S)-2-fluoro-5-methyl-4-((1-phenylpropyl)thio)-N-(...)
Show SMILES CC[C@H](Sc1cc(F)c(cc1C)S(=O)(=O)Nc1nccs1)c1ccccc1 |r|
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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 1 subunit alpha


(Homo sapiens (Human))
BDBM526036
PNG
(5-chloro-2-fluoro-4-(3-methyl-1-phenylbutylamino)-...)
Show SMILES CCC(C)CC(Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)c1ccccc1
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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 1 subunit alpha


(Homo sapiens (Human))
BDBM525933
PNG
((S)-5-chloro-2-fluoro-4-((1-phenylpropyl)amino)-N-...)
Show SMILES CC[C@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)c1ccccc1 |r|
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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 1 subunit alpha


(Homo sapiens (Human))
BDBM76858
PNG
(US9546164, 580 | US9694002, 580)
Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3cc(ccc3Cl)C(F)(F)F)CC2)cc1F
Show InChI InChI=1S/C25H27ClF4N2O4S/c1-37(34,35)31-24(33)20-11-19(16-2-3-16)23(12-22(20)27)36-14-15-6-8-32(9-7-15)13-17-10-18(25(28,29)30)4-5-21(17)26/h4-5,10-12,15-16H,2-3,6-9,13-14H2,1H3,(H,31,33)
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TBA

Assay Description
Concentration at which the clotting time was prolonged by twice that of the control by inhibiting thrombin


Citation and Details
More data for this
Ligand-Target Pair
Sodium channel protein type 1 subunit alpha


(Homo sapiens (Human))
BDBM70937
PNG
(US9546164, 100 | US9694002, 100)
Show SMILES C[C@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1S/C25H29Cl2FN2O4S/c1-15(18-9-19(26)11-20(27)10-18)30-7-5-16(6-8-30)14-34-24-13-23(28)22(12-21(24)17-3-4-17)25(31)29-35(2,32)33/h9-13,15-17H,3-8,14H2,1-2H3,(H,29,31)/t15-/m0/s1
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n/an/a 202n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length human Nav1.1 expressed in HEK cells by whole cell voltage clamp analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00049
BindingDB Entry DOI: 10.7270/Q2WW7NKS
More data for this
Ligand-Target Pair
Sodium channel protein type 1 subunit alpha


(Homo sapiens (Human))
BDBM50257215
PNG
(CHEMBL2324411)
Show SMILES Cn1nccc1-c1cc(Cl)ccc1Oc1ccc(cc1F)S(=O)(=O)Nc1ncns1
Show InChI InChI=1S/C18H13ClFN5O3S2/c1-25-15(6-7-22-25)13-8-11(19)2-4-16(13)28-17-5-3-12(9-14(17)20)30(26,27)24-18-21-10-23-29-18/h2-10H,1H3,(H,21,23,24)
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Icagen Inc. , 4222 Emperor Blvd no. 350, Durham, North Carolina 27703, United States.

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.1 expressed in HEK cells assessed as half inactivation potential at -120 mV holding potential by automated patch clamp metho...


J Med Chem 60: 7029-7042 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00598
BindingDB Entry DOI: 10.7270/Q21G0PQF
More data for this
Ligand-Target Pair
Sodium channel protein type 1 subunit alpha


(Homo sapiens (Human))
BDBM492965
PNG
(5-((2-bromo-3,6-difluorobenzyl)amino)-3-fluoro-6-m...)
Show SMILES Cc1nc(c(F)cc1NCc1c(F)ccc(F)c1Br)S(=O)(=O)Nc1cscn1
Show InChI InChI=1S/C16H12BrF3N4O2S2/c1-8-13(21-5-9-10(18)2-3-11(19)15(9)17)4-12(20)16(23-8)28(25,26)24-14-6-27-7-22-14/h2-4,6-7,21,24H,5H2,1H3
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q25B06DG
More data for this
Ligand-Target Pair
Sodium channel protein type 1 subunit alpha


(Homo sapiens (Human))
BDBM492965
PNG
(5-((2-bromo-3,6-difluorobenzyl)amino)-3-fluoro-6-m...)
Show SMILES Cc1nc(c(F)cc1NCc1c(F)ccc(F)c1Br)S(=O)(=O)Nc1cscn1
Show InChI InChI=1S/C16H12BrF3N4O2S2/c1-8-13(21-5-9-10(18)2-3-11(19)15(9)17)4-12(20)16(23-8)28(25,26)24-14-6-27-7-22-14/h2-4,6-7,21,24H,5H2,1H3
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Xenon Pharmaceuticals Inc.

US Patent


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...


US Patent US10981905 (2021)


BindingDB Entry DOI: 10.7270/Q2N019N4
More data for this
Ligand-Target Pair
Sodium channel protein type 1 subunit alpha


(Homo sapiens (Human))
BDBM525942
PNG
((S)-5-chloro-2-fluoro-4-((1-(3-fluorophenyl)ethyl)...)
Show SMILES C[C@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)c1cccc(F)c1 |r|
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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 1 subunit alpha


(Homo sapiens (Human))
BDBM526034
PNG
(5-chloro-2-fluoro-4-(1-phenylpropylamino)-N-(thiaz...)
Show SMILES CCCC(Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)c1ccccc1
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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 1 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 1 subunit alpha


(Homo sapiens (Human))
BDBM525928
PNG
((R)-3-chloro-4-((2,3-dihydro-1H-inden-1-yl)amino)-...)
Show SMILES Clc1cc(ccc1N[C@@H]1CCc2ccccc12)S(=O)(=O)Nc1ncns1 |r|
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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 1 subunit alpha


(Homo sapiens (Human))
BDBM525991
PNG
(5-chloro-2-fluoro-4-((5,6,7,8-tetrahydroquinolin-5...)
Show SMILES Fc1cc(NC2CCCc3ncccc23)c(Cl)cc1S(=O)(=O)Nc1nccs1
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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 1 subunit alpha


(Homo sapiens (Human))
BDBM50451447
PNG
(CHEMBL4217988)
Show SMILES FC(F)(F)c1cccc(c1)-c1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1ccnc(CNCCC2CCNCC2)c1
Show InChI InChI=1S/C35H32F3N7O3S2/c36-35(37,38)28-3-1-2-24(16-28)25-4-6-33(48-32-7-5-30(18-27(32)20-39)50(46,47)45-34-43-22-44-49-34)31(19-25)26-11-15-42-29(17-26)21-41-14-10-23-8-12-40-13-9-23/h1-7,11,15-19,22-23,40-41H,8-10,12-14,21H2,(H,43,44,45)
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n/an/a 309n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.1 expressed in HEK cells by patch clamp electrophysiology method


Bioorg Med Chem Lett 27: 4805-4811 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.056
BindingDB Entry DOI: 10.7270/Q25Q4ZN1
More data for this
Ligand-Target Pair
Sodium channel protein type 1 subunit alpha


(Homo sapiens (Human))
BDBM50451447
PNG
(CHEMBL4217988)
Show SMILES FC(F)(F)c1cccc(c1)-c1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1ccnc(CNCCC2CCNCC2)c1
Show InChI InChI=1S/C35H32F3N7O3S2/c36-35(37,38)28-3-1-2-24(16-28)25-4-6-33(48-32-7-5-30(18-27(32)20-39)50(46,47)45-34-43-22-44-49-34)31(19-25)26-11-15-42-29(17-26)21-41-14-10-23-8-12-40-13-9-23/h1-7,11,15-19,22-23,40-41H,8-10,12-14,21H2,(H,43,44,45)
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SiteOne Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.1 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 1 subunit alpha


(Homo sapiens (Human))
BDBM525986
PNG
(5-chloro-2-fluoro-4-((5,6,7,8-tetrahydroisoquinoli...)
Show SMILES Fc1cc(NC2CCCc3ccncc23)c(Cl)cc1S(=O)(=O)Nc1nccs1
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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 1 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|
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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 1 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
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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 1 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|
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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 1 subunit alpha


(Homo sapiens (Human))
BDBM50173134
PNG
(CHEMBL3809595)
Show SMILES FC(F)(F)Oc1ccc(cc1)-c1ccc2nnc(n2c1)C(F)(F)F
Show InChI InChI=1S/C14H7F6N3O/c15-13(16,17)12-22-21-11-6-3-9(7-23(11)12)8-1-4-10(5-2-8)24-14(18,19)20/h1-7H
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n/an/a 400n/an/an/an/an/an/a



Gilead Sciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of 10 Hz stimulated Nav1.1 (unknown origin) by manual patch clamp method


Bioorg Med Chem Lett 26: 3207-11 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.096
BindingDB Entry DOI: 10.7270/Q2PG1TNG
More data for this
Ligand-Target Pair
Sodium channel protein type 1 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 420n/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 1 subunit alpha


(Homo sapiens (Human))
BDBM525920
PNG
((S)-2,6-difluoro-4-((1-(2-fluorophenyl)ethyl)amino...)
Show SMILES C[C@H](Nc1cc(F)c(c(F)c1)S(=O)(=O)Nc1nccs1)c1ccccc1F |r|
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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 1 subunit alpha


(Homo sapiens (Human))
BDBM525910
PNG
(5-chloro-4-((2-cyanobenzyl)amino)-2-fluoro-N-(thia...)
Show SMILES Fc1cc(NCc2ccccc2C#N)c(Cl)cc1S(=O)(=O)Nc1nccs1
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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 1 subunit alpha


(Homo sapiens (Human))
BDBM525978
PNG
(2,5-difluoro-4-((1-phenylpropyl)amino)-N-(1,2,4-th...)
Show SMILES CCC(Nc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1)c1ccccc1
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n/an/a 516n/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 1 subunit alpha


(Homo sapiens (Human))
BDBM525938
PNG
((S)-5-chloro-2-fluoro-4-((1-(2-fluorophenyl)ethyl)...)
Show SMILES C[C@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)c1ccccc1F |r|
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n/an/a 539n/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 1 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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n/an/a 560n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human Nav1.1 expressed in HEK293 cells by sodium influx assay


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 1 subunit alpha


(Homo sapiens (Human))
BDBM373868
PNG
((S)-2-fluoro-5-methyl-4-(methyl(1-((2-phenylthiazo...)
Show SMILES CN([C@H]1CCN(Cc2csc(n2)-c2ccccc2)C1)c1cc(F)c(cc1C)S(=O)(=O)Nc1cscn1
Show InChI InChI=1S/C25H26FN5O2S3/c1-17-10-23(36(32,33)29-24-15-34-16-27-24)21(26)11-22(17)30(2)20-8-9-31(13-20)12-19-14-35-25(28-19)18-6-4-3-5-7-18/h3-7,10-11,14-16,20,29H,8-9,12-13H2,1-2H3/t20-/m0/s1
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n/an/a 564n/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 1 subunit alpha


(Homo sapiens (Human))
BDBM373868
PNG
((S)-2-fluoro-5-methyl-4-(methyl(1-((2-phenylthiazo...)
Show SMILES CN([C@H]1CCN(Cc2csc(n2)-c2ccccc2)C1)c1cc(F)c(cc1C)S(=O)(=O)Nc1cscn1
Show InChI InChI=1S/C25H26FN5O2S3/c1-17-10-23(36(32,33)29-24-15-34-16-27-24)21(26)11-22(17)30(2)20-8-9-31(13-20)12-19-14-35-25(28-19)18-6-4-3-5-7-18/h3-7,10-11,14-16,20,29H,8-9,12-13H2,1-2H3/t20-/m0/s1
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Xenon Pharmaceuticals Inc.

US Patent


Assay Description
In general, Trex HEK293 cells were stably transfected with an inducible expression vector containing the full-length cDNA coding for the desired huma...


US Patent US10815229 (2020)


BindingDB Entry DOI: 10.7270/Q2MS3WTS
More data for this
Ligand-Target Pair
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