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Compile Data Set for Download or QSAR

Found 162 hits Enz. Inhib. hit(s) with Target = 'Sodium channel protein type 3 subunit alpha' AND taxid = 9606   
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 3 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 5.30n/an/an/an/an/an/a



SiteOne Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.3 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 3 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 13n/an/an/an/an/an/a



SiteOne Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.3 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 3 subunit alpha


(Homo sapiens (Human))
BDBM50077471
PNG
(CHEMBL3416886)
Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
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n/an/a 20n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.3 at -140 mV holding potential by whole-cell patch clamp assay


J Med Chem 58: 2299-314 (2015)


Article DOI: 10.1021/jm501765v
BindingDB Entry DOI: 10.7270/Q2F47QVK
More data for this
Ligand-Target Pair
Sodium channel protein type 3 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 TTX-sensitive NaV1.3 channel expressed in HEK293 cells 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
3D
3D Structure (crystal)
Sodium channel protein type 3 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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n/an/a 25n/an/an/an/an/an/a



SiteOne Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.3 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 3 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 1.3 (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 3 subunit alpha


(Homo sapiens (Human))
BDBM50426577
PNG
(CHEMBL2324354)
Show SMILES FC(F)(F)c1cc(CNC(=O)c2ccc(cc2)S(=O)(=O)Nc2ncc(Cl)s2)ccc1Cl
Show InChI InChI=1S/C18H12Cl2F3N3O3S2/c19-14-6-1-10(7-13(14)18(21,22)23)8-24-16(27)11-2-4-12(5-3-11)31(28,29)26-17-25-9-15(20)30-17/h1-7,9H,8H2,(H,24,27)(H,25,26)
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n/an/a 30n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human voltage-gated Na channel 1.3


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 3 subunit alpha


(Homo sapiens (Human))
BDBM50520478
PNG
(CHEMBL4436427)
Show SMILES CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CSSC[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(=O)N[C@@H](C)C(N)=O)NC1=O |r|
Show InChI InChI=1S/C106H174N46O30S4/c1-50(2)81(110)101(182)132-43-78(158)138-64(25-26-79(159)160)92(173)140-62(23-14-32-126-105(118)119)90(171)150-73-48-186-184-46-71-98(179)143-61(22-13-31-125-104(116)117)89(170)147-68(37-80(161)162)95(176)145-66(35-54-39-122-49-133-54)94(175)148-69(44-153)96(177)141-63(24-15-33-127-106(120)121)91(172)149-70(97(178)135-51(3)82(111)163)45-183-185-47-72(152-100(73)181)99(180)142-60(19-8-10-28-108)88(169)146-67(36-74(109)154)85(166)131-42-77(157)136-58(18-7-9-27-107)86(167)139-57(20-11-29-123-102(112)113)84(165)130-40-75(155)134-52(4)83(164)129-41-76(156)137-59(21-12-30-124-103(114)115)87(168)144-65(93(174)151-71)34-53-38-128-56-17-6-5-16-55(53)56/h5-6,16-17,38-39,49-52,57-73,81,128,153H,7-15,18-37,40-48,107-108,110H2,1-4H3,(H2,109,154)(H2,111,163)(H,122,133)(H,129,164)(H,130,165)(H,131,166)(H,132,182)(H,134,155)(H,135,178)(H,136,157)(H,137,156)(H,138,158)(H,139,167)(H,140,173)(H,141,177)(H,142,180)(H,143,179)(H,144,168)(H,145,176)(H,146,169)(H,147,170)(H,148,175)(H,149,172)(H,150,171)(H,151,174)(H,152,181)(H,159,160)(H,161,162)(H4,112,113,123)(H4,114,115,124)(H4,116,117,125)(H4,118,119,126)(H4,120,121,127)/t51-,52-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,81-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Hainan University

Curated by ChEMBL


Assay Description
Inhibition of Nav1.3 (unknown origin) expressed in Xenopus laevis oocytes at -80 mV holding potential by two electrode voltage-clamp assay


J Med Chem 63: 1564-1575 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01409
BindingDB Entry DOI: 10.7270/Q2SQ93SZ
More data for this
Ligand-Target Pair
Sodium channel protein type 3 subunit alpha


(Homo sapiens (Human))
BDBM50520499
PNG
(CHEMBL4517378)
Show SMILES CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CSSC[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(N)=O |r|
Show InChI InChI=1S/C106H172N46O30S6/c1-50(2)81(110)101(182)132-41-77(157)136-62(23-24-79(159)160)92(173)139-60(21-12-30-126-105(118)119)90(171)150-73-48-188-185-45-70-97(178)142-59(20-11-29-125-104(116)117)89(170)146-66(35-80(161)162)95(176)144-64(33-52-37-122-49-133-52)94(175)147-67(42-153)96(177)140-61(22-13-31-127-106(120)121)91(172)149-72-47-187-186-46-71(152-100(73)181)98(179)141-58(17-6-8-26-108)88(169)145-65(34-74(109)154)84(165)130-38-75(155)134-56(16-5-7-25-107)86(167)138-55(18-9-27-123-102(112)113)83(164)129-40-78(158)137-69(44-184-183-43-68(82(111)163)148-99(72)180)85(166)131-39-76(156)135-57(19-10-28-124-103(114)115)87(168)143-63(93(174)151-70)32-51-36-128-54-15-4-3-14-53(51)54/h3-4,14-15,36-37,49-50,55-73,81,128,153H,5-13,16-35,38-48,107-108,110H2,1-2H3,(H2,109,154)(H2,111,163)(H,122,133)(H,129,164)(H,130,165)(H,131,166)(H,132,182)(H,134,155)(H,135,156)(H,136,157)(H,137,158)(H,138,167)(H,139,173)(H,140,177)(H,141,179)(H,142,178)(H,143,168)(H,144,176)(H,145,169)(H,146,170)(H,147,175)(H,148,180)(H,149,172)(H,150,171)(H,151,174)(H,152,181)(H,159,160)(H,161,162)(H4,112,113,123)(H4,114,115,124)(H4,116,117,125)(H4,118,119,126)(H4,120,121,127)/t55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,81-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



Hainan University

Curated by ChEMBL


Assay Description
Inhibition of Nav1.3 (unknown origin) expressed in Xenopus laevis oocytes at -80 mV holding potential by two electrode voltage-clamp assay


J Med Chem 63: 1564-1575 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01409
BindingDB Entry DOI: 10.7270/Q2SQ93SZ
More data for this
Ligand-Target Pair
Sodium channel protein type 3 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 Nav1.3 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 3 subunit alpha


(Homo sapiens (Human))
BDBM50520496
PNG
(CHEMBL4469517)
Show SMILES CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CSSC[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(N)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC1=O |r|
Show InChI InChI=1S/C106H174N46O30S4/c1-50(2)81(110)101(182)132-43-77(157)138-64(25-26-79(159)160)94(175)142-63(24-15-33-127-106(120)121)93(174)151-72-47-185-186-48-73-100(181)144-62(23-14-32-126-105(118)119)92(173)148-68(37-80(161)162)97(178)146-66(35-54-39-122-49-133-54)96(177)149-69(44-153)98(179)143-61(22-13-31-125-104(116)117)88(169)134-52(4)84(165)150-70(82(111)163)45-183-184-46-71(87(168)131-41-76(156)137-59(21-12-30-124-103(114)115)90(171)145-65(95(176)152-73)34-53-38-128-56-17-6-5-16-55(53)56)139-78(158)42-129-85(166)57(20-11-29-123-102(112)113)141-89(170)58(18-7-9-27-107)136-75(155)40-130-86(167)67(36-74(109)154)147-91(172)60(19-8-10-28-108)140-83(164)51(3)135-99(72)180/h5-6,16-17,38-39,49-52,57-73,81,128,153H,7-15,18-37,40-48,107-108,110H2,1-4H3,(H2,109,154)(H2,111,163)(H,122,133)(H,129,166)(H,130,167)(H,131,168)(H,132,182)(H,134,169)(H,135,180)(H,136,155)(H,137,156)(H,138,157)(H,139,158)(H,140,164)(H,141,170)(H,142,175)(H,143,179)(H,144,181)(H,145,171)(H,146,178)(H,147,172)(H,148,173)(H,149,177)(H,150,165)(H,151,174)(H,152,176)(H,159,160)(H,161,162)(H4,112,113,123)(H4,114,115,124)(H4,116,117,125)(H4,118,119,126)(H4,120,121,127)/t51-,52-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,81-/m0/s1
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n/an/a 260n/an/an/an/an/an/a



Hainan University

Curated by ChEMBL


Assay Description
Inhibition of Nav1.3 (unknown origin) expressed in Xenopus laevis oocytes at -80 mV holding potential by two electrode voltage-clamp assay


J Med Chem 63: 1564-1575 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01409
BindingDB Entry DOI: 10.7270/Q2SQ93SZ
More data for this
Ligand-Target Pair
Sodium channel protein type 3 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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n/an/a 292n/an/an/an/an/an/a



Icagen Inc. , 4222 Emperor Blvd no. 350, Durham, North Carolina 27703, United States.

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.3 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 3 subunit alpha


(Homo sapiens (Human))
BDBM50349984
PNG
(CHEMBL1813048)
Show SMILES CC(=O)Nc1cccc(Nc2ncnc(n2)N2CCC(CC2)OCc2ccc(OC(F)(F)F)cc2)c1C
Show InChI InChI=1S/C25H27F3N6O3/c1-16-21(31-17(2)35)4-3-5-22(16)32-23-29-15-30-24(33-23)34-12-10-19(11-13-34)36-14-18-6-8-20(9-7-18)37-25(26,27)28/h3-9,15,19H,10-14H2,1-2H3,(H,31,35)(H,29,30,32,33)
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n/an/a 300n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of 20% inactivated TTX-resistant human sodium channel Nav1.3 expressed in human HEK293 cells at 1 uM by patch-clamp electrophysiological a...


J Med Chem 54: 4427-45 (2011)


Article DOI: 10.1021/jm200018k
BindingDB Entry DOI: 10.7270/Q2N016W1
More data for this
Ligand-Target Pair
Sodium channel protein type 3 subunit alpha


(Homo sapiens (Human))
BDBM50017659
PNG
(2-(Dimethylamino)ethyl p-(butylamino)benzoate | 2-...)
Show SMILES CCCCNc1ccc(cc1)C(=O)OCCN(C)C
Show InChI InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3
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n/an/a 740n/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Nav1.3 expressed in HEK293 cells preincubated for 40 mins followed by DiSBAC2 substrate addition measured after 90 mi...


J Med Chem 59: 3373-91 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00063
BindingDB Entry DOI: 10.7270/Q2C250GW
More data for this
Ligand-Target Pair
Sodium channel protein type 3 subunit alpha


(Homo sapiens (Human))
BDBM50371391
PNG
(SENICAPOC)
Show SMILES NC(=O)C(c1ccccc1)(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C20H15F2NO/c21-17-10-6-15(7-11-17)20(19(23)24,14-4-2-1-3-5-14)16-8-12-18(22)13-9-16/h1-13H,(H2,23,24)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of voltage-gated Na channel 1.3 (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 3 subunit alpha


(Homo sapiens (Human))
BDBM50212239
PNG
(5-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)furan-2-...)
Show SMILES COc1cc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)cc(OC)c1
Show InChI InChI=1S/C19H16ClNO4/c1-23-15-9-14(10-16(11-15)24-2)21-19(22)18-8-7-17(25-18)12-3-5-13(20)6-4-12/h3-11H,1-2H3,(H,21,22)
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n/an/a 2.45E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.3 channel expressed in HEK293 cells at -60 mV by patch clamp method


Proc Natl Acad Sci USA 104: 8520-5 (2007)


Article DOI: 10.1073/pnas.0611364104
BindingDB Entry DOI: 10.7270/Q2J10411
More data for this
Ligand-Target Pair
Sodium channel protein type 3 subunit alpha


(Homo sapiens (Human))
BDBM50212239
PNG
(5-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)furan-2-...)
Show SMILES COc1cc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)cc(OC)c1
Show InChI InChI=1S/C19H16ClNO4/c1-23-15-9-14(10-16(11-15)24-2)21-19(22)18-8-7-17(25-18)12-3-5-13(20)6-4-12/h3-11H,1-2H3,(H,21,22)
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n/an/a 2.45E+3n/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Inhibition of inactivated human Nav1.3 sodium channel


J Med Chem 50: 2583-8 (2007)


Article DOI: 10.1021/jm061005v
BindingDB Entry DOI: 10.7270/Q22J6BJB
More data for this
Ligand-Target Pair
Sodium channel protein type 3 subunit alpha


(Homo sapiens (Human))
BDBM50257182
PNG
(CHEMBL2324753)
Show SMILES Cn1nccc1-c1cc(Cl)ccc1Oc1ccc(cc1C#N)S(=O)(=O)Nc1ncns1
Show InChI InChI=1S/C19H13ClN6O3S2/c1-26-16(6-7-23-26)15-9-13(20)2-4-18(15)29-17-5-3-14(8-12(17)10-21)31(27,28)25-19-22-11-24-30-19/h2-9,11H,1H3,(H,22,24,25)
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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 NaV1.3 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 3 subunit alpha


(Homo sapiens (Human))
BDBM50500961
PNG
(CHEMBL3798363)
Show SMILES Fc1ccc2n(nc(OCCN3CCNC3=O)c2c1)-c1ccccc1F
Show InChI InChI=1S/C18H16F2N4O2/c19-12-5-6-15-13(11-12)17(26-10-9-23-8-7-21-18(23)25)22-24(15)16-4-2-1-3-14(16)20/h1-6,11H,7-10H2,(H,21,25)
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n/an/a 3.40E+3n/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Nav1.3 expressed in HEK293 cells preincubated for 40 mins followed by DiSBAC2 substrate addition measured after 90 mi...


J Med Chem 59: 3373-91 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00063
BindingDB Entry DOI: 10.7270/Q2C250GW
More data for this
Ligand-Target Pair
Sodium channel protein type 3 subunit alpha


(Homo sapiens (Human))
BDBM50563816
PNG
(Eleclazine | GS-6615)
Show SMILES FC(F)(F)Oc1ccc(cc1)-c1ccc2OCCN(Cc3ncccn3)C(=O)c2c1
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n/an/a 3.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of NaV1.3 (unknown origin) at 25 Hz frequency by whole cell manual patch clamp technique


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00939
BindingDB Entry DOI: 10.7270/Q2VQ36DM
More data for this
Ligand-Target Pair
Sodium channel protein type 3 subunit alpha


(Homo sapiens (Human))
BDBM50095314
PNG
(CHEMBL3589893)
Show SMILES CC(=O)Nc1ccc(c(N)n1)-c1cc(Cl)cc(Cl)c1Cl
Show InChI InChI=1S/C13H10Cl3N3O/c1-6(20)18-11-3-2-8(13(17)19-11)9-4-7(14)5-10(15)12(9)16/h2-5H,1H3,(H3,17,18,19,20)
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n/an/a 3.50E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.3 expressed in SHSY5Y cells assessed as reduction in blue fluorescent signal by VSP-FRET assay


ACS Med Chem Lett 6: 650-4 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00059
BindingDB Entry DOI: 10.7270/Q23R0VMJ
More data for this
Ligand-Target Pair
Sodium channel protein type 3 subunit alpha


(Homo sapiens (Human))
BDBM50008745
PNG
(CHEMBL3236329)
Show SMILES FC(F)(F)Oc1cccc(c1)C(=O)NCc1noc(n1)-c1n(CCn2ccnc2)nc2ccccc12
Show InChI InChI=1S/C23H18F3N7O3/c24-23(25,26)35-16-5-3-4-15(12-16)21(34)28-13-19-29-22(36-31-19)20-17-6-1-2-7-18(17)30-33(20)11-10-32-9-8-27-14-32/h1-9,12,14H,10-11,13H2,(H,28,34)
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n/an/a 4.76E+3n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.3 assessed as inactivated-state block by patch-clamp electrophysiology/cell based assay


J Med Chem 57: 2942-52 (2014)


Article DOI: 10.1021/jm401881q
BindingDB Entry DOI: 10.7270/Q2CZ38QJ
More data for this
Ligand-Target Pair
Sodium channel protein type 3 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 6.40E+3n/an/an/an/an/an/a



SiteOne Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.3 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 3 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 6.44E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.3 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 3 subunit alpha


(Homo sapiens (Human))
BDBM50095313
PNG
(CHEMBL3589892)
Show SMILES CNC(=O)c1cnc(N)c(c1)-c1cc(Cl)cc(Cl)c1Cl
Show InChI InChI=1S/C13H10Cl3N3O/c1-18-13(20)6-2-9(12(17)19-5-6)8-3-7(14)4-10(15)11(8)16/h2-5H,1H3,(H2,17,19)(H,18,20)
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n/an/a 6.90E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.3 expressed in SHSY5Y cells assessed as reduction in blue fluorescent signal by VSP-FRET assay


ACS Med Chem Lett 6: 650-4 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00059
BindingDB Entry DOI: 10.7270/Q23R0VMJ
More data for this
Ligand-Target Pair
Sodium channel protein type 3 subunit alpha


(Homo sapiens (Human))
BDBM342904
PNG
(1-(2-fluoro-5-methoxy-3'-(trifluoromethyl)-4-biphe...)
Show SMILES COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C26H17F4N3O4S/c1-36-23-14-20(15-3-2-4-17(11-15)26(28,29)30)22(27)13-21(23)25-19-6-5-18(12-16(19)7-9-31-25)38(34,35)33-24-8-10-37-32-24/h2-14H,1H3,(H,32,33)
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n/an/a 6.90E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.3 expressed in CHO cells assessed as reduction in peak inward current by ionworks quattro electrophysiology assay


J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
BindingDB Entry DOI: 10.7270/Q2RJ4MS7
More data for this
Ligand-Target Pair
Sodium channel protein type 3 subunit alpha


(Homo sapiens (Human))
BDBM344708
PNG
(1-[1-(2-fluorophenyl)-1H-indazol-4-yl]-3-{2-[(3S)-...)
Show SMILES F[C@H]1CCN(C1)C(=O)CN1CCN(C1=O)c1cccc2n(ncc12)-c1ccccc1F
Show InChI InChI=1S/C22H21F2N5O2/c23-15-8-9-26(13-15)21(30)14-27-10-11-28(22(27)31)18-6-3-7-19-16(18)12-25-29(19)20-5-2-1-4-17(20)24/h1-7,12,15H,8-11,13-14H2/t15-/m0/s1
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n/an/a 7.10E+3n/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Nav1.3 expressed in HEK293 cells preincubated for 40 mins followed by DiSBAC2 substrate addition measured after 90 mi...


J Med Chem 59: 3373-91 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00063
BindingDB Entry DOI: 10.7270/Q2C250GW
More data for this
Ligand-Target Pair
Sodium channel protein type 3 subunit alpha


(Homo sapiens (Human))
BDBM50495865
PNG
(CHEMBL3113259)
Show SMILES Cl.Nc1nc(c[nH]1)-c1ccc(NC(=O)[C@H]2CCCN2)cc1 |r|
Show InChI InChI=1S/C14H17N5O.ClH/c15-14-17-8-12(19-14)9-3-5-10(6-4-9)18-13(20)11-2-1-7-16-11;/h3-6,8,11,16H,1-2,7H2,(H,18,20)(H3,15,17,19);1H/t11-;/m1./s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Modulation of human Nav1.3 in open-inactivated state assessed as inhibition of inward current after 4 mins by whole-cell electrophysiology


Eur J Med Chem 74: 23-30 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.034
BindingDB Entry DOI: 10.7270/Q2V69NJW
More data for this
Ligand-Target Pair
Sodium channel protein type 3 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 9.33E+3n/an/an/an/an/an/a



Xenon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length human Nav1.3 channel expressed in HEK cells co-expressing human sodium channel subunit beta1 at holding potential -50 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 3 subunit alpha


(Homo sapiens (Human))
BDBM50095312
PNG
(CHEMBL2324355)
Show SMILES Cc1nocc1C(=O)Nc1ccc(c(N)n1)-c1ccccc1OC(F)(F)F
Show InChI InChI=1S/C17H13F3N4O3/c1-9-12(8-26-24-9)16(25)23-14-7-6-11(15(21)22-14)10-4-2-3-5-13(10)27-17(18,19)20/h2-8H,1H3,(H3,21,22,23,25)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.3 expressed in SHSY5Y cells by IonWorks Quattro selectivity assay


ACS Med Chem Lett 6: 650-4 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00059
BindingDB Entry DOI: 10.7270/Q23R0VMJ
More data for this
Ligand-Target Pair
Sodium channel protein type 3 subunit alpha


(Homo sapiens (Human))
BDBM50257177
PNG
(CHEMBL2324748)
Show SMILES CCN1CC(C1)n1nccc1-c1cc(Cl)ccc1Oc1ccc(cc1C#N)S(=O)(=O)Nc1cscn1
Show InChI InChI=1S/C24H21ClN6O3S2/c1-2-30-12-18(13-30)31-21(7-8-28-31)20-10-17(25)3-5-23(20)34-22-6-4-19(9-16(22)11-26)36(32,33)29-24-14-35-15-27-24/h3-10,14-15,18,29H,2,12-13H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Icagen Inc. , 4222 Emperor Blvd no. 350, Durham, North Carolina 27703, United States.

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.3 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 3 subunit alpha


(Homo sapiens (Human))
BDBM50240267
PNG
(CHEMBL2325014)
Show SMILES Nc1[nH]ncc1-c1cc(Cl)ccc1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
Show InChI InChI=1S/C18H12Cl2FN5O3S2/c19-9-1-2-14(10(3-9)11-6-24-25-18(11)22)29-15-5-13(21)16(4-12(15)20)31(27,28)26-17-7-30-8-23-17/h1-8,26H,(H3,22,24,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Icagen Inc. , 4222 Emperor Blvd no. 350, Durham, North Carolina 27703, United States.

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.3 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 3 subunit alpha


(Homo sapiens (Human))
BDBM50349984
PNG
(CHEMBL1813048)
Show SMILES CC(=O)Nc1cccc(Nc2ncnc(n2)N2CCC(CC2)OCc2ccc(OC(F)(F)F)cc2)c1C
Show InChI InChI=1S/C25H27F3N6O3/c1-16-21(31-17(2)35)4-3-5-22(16)32-23-29-15-30-24(33-23)34-12-10-19(11-13-34)36-14-18-6-8-20(9-7-18)37-25(26,27)28/h3-9,15,19H,10-14H2,1-2H3,(H,31,35)(H,29,30,32,33)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of fully inactivated TTX-resistant human sodium channel Nav1.3 expressed in human HEK293 cells at 1 uM by patch-clamp electrophysiological...


J Med Chem 54: 4427-45 (2011)


Article DOI: 10.1021/jm200018k
BindingDB Entry DOI: 10.7270/Q2N016W1
More data for this
Ligand-Target Pair
Sodium channel protein type 3 subunit alpha


(Homo sapiens (Human))
BDBM50257175
PNG
(CHEMBL2324776)
Show SMILES Fc1cc(Oc2ccc(cc2-c2ccnnc2)C(F)(F)F)c(Cl)cc1S(=O)(=O)Nc1nncs1
Show InChI InChI=1S/C19H10ClF4N5O3S2/c20-13-6-17(34(30,31)29-18-28-27-9-33-18)14(21)7-16(13)32-15-2-1-11(19(22,23)24)5-12(15)10-3-4-25-26-8-10/h1-9H,(H,28,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Icagen Inc. , 4222 Emperor Blvd no. 350, Durham, North Carolina 27703, United States.

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.3 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 3 subunit alpha


(Homo sapiens (Human))
BDBM50017662
PNG
(2-(Diethylamino)-2',6'-acetoxylidide | 2-(Diethyla...)
Show SMILES CCN(CC)CC(=O)Nc1c(C)cccc1C
Show InChI InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17)
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n/an/a 1.05E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Modulation of human Nav1.3 in open-inactivated state assessed as inhibition of inward current after 4 mins by whole-cell electrophysiology


Eur J Med Chem 74: 23-30 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.034
BindingDB Entry DOI: 10.7270/Q2V69NJW
More data for this
Ligand-Target Pair
Sodium channel protein type 3 subunit alpha


(Homo sapiens (Human))
BDBM50240267
PNG
(CHEMBL2325014)
Show SMILES Nc1[nH]ncc1-c1cc(Cl)ccc1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
Show InChI InChI=1S/C18H12Cl2FN5O3S2/c19-9-1-2-14(10(3-9)11-6-24-25-18(11)22)29-15-5-13(21)16(4-12(15)20)31(27,28)26-17-7-30-8-23-17/h1-8,26H,(H3,22,24,25)
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n/an/a 1.10E+4n/an/an/an/an/an/a



SiteOne Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.3 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 3 subunit alpha


(Homo sapiens (Human))
BDBM50212239
PNG
(5-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)furan-2-...)
Show SMILES COc1cc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)cc(OC)c1
Show InChI InChI=1S/C19H16ClNO4/c1-23-15-9-14(10-16(11-15)24-2)21-19(22)18-8-7-17(25-18)12-3-5-13(20)6-4-12/h3-11H,1-2H3,(H,21,22)
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n/an/a 1.18E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.3 channel expressed in HEK293 cells at -120 mV by patch clamp method


Proc Natl Acad Sci USA 104: 8520-5 (2007)


Article DOI: 10.1073/pnas.0611364104
BindingDB Entry DOI: 10.7270/Q2J10411
More data for this
Ligand-Target Pair
Sodium channel protein type 3 subunit alpha


(Homo sapiens (Human))
BDBM50495850
PNG
(CHEMBL3113255)
Show SMILES Cl.Nc1nc(c[nH]1)-c1cccc(NC(=O)c2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C18H15N5O/c19-18-21-10-16(23-18)11-4-3-5-12(8-11)22-17(24)14-9-20-15-7-2-1-6-13(14)15/h1-10,20H,(H,22,24)(H3,19,21,23)
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n/an/a 1.20E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Modulation of human Nav1.3 in open-inactivated state assessed as inhibition of inward current after 4 mins by whole-cell electrophysiology


Eur J Med Chem 74: 23-30 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.034
BindingDB Entry DOI: 10.7270/Q2V69NJW
More data for this
Ligand-Target Pair
Sodium channel protein type 3 subunit alpha


(Homo sapiens (Human))
BDBM50495853
PNG
(CHEMBL3113247)
Show SMILES CC(C)(C)OC(=O)n1cc(nc1N)-c1cccc(NC(=O)c2cc[nH]c2)c1
Show InChI InChI=1S/C19H21N5O3/c1-19(2,3)27-18(26)24-11-15(23-17(24)20)12-5-4-6-14(9-12)22-16(25)13-7-8-21-10-13/h4-11,21H,1-3H3,(H2,20,23)(H,22,25)
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n/an/a 1.20E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Modulation of human Nav1.3 in open-inactivated state assessed as inhibition of inward current after 4 mins by whole-cell electrophysiology


Eur J Med Chem 74: 23-30 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.034
BindingDB Entry DOI: 10.7270/Q2V69NJW
More data for this
Ligand-Target Pair
Sodium channel protein type 3 subunit alpha


(Homo sapiens (Human))
BDBM329203
PNG
(4-(5-Chloro-6-((1-Methylcyclopropyl)Methoxy)Pyridi...)
Show SMILES COc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(Oc2cc(F)ccc2F)c(Cl)c1
Show InChI InChI=1S/C20H14ClF3N2O5S/c1-30-17-8-13(19(27)26-32(2,28)29)16(24)7-12(17)10-5-14(21)20(25-9-10)31-18-6-11(22)3-4-15(18)23/h3-9H,1-2H3,(H,26,27)
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n/an/a 1.25E+4n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.3 expressed in CHO cells assessed as reduction in peak inward current by manual whole cell patch clamp electrophysiology ass...


J Med Chem 59: 7818-39 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00425
BindingDB Entry DOI: 10.7270/Q25Q50KX
More data for this
Ligand-Target Pair
Sodium channel protein type 3 subunit alpha


(Homo sapiens (Human))
BDBM50495860
PNG
(CHEMBL3113260)
Show SMILES Cl.Nc1nc(c[nH]1)-c1ccc(NC(=O)[C@@H]2CCCN2)cc1 |r|
Show InChI InChI=1S/C14H17N5O.ClH/c15-14-17-8-12(19-14)9-3-5-10(6-4-9)18-13(20)11-2-1-7-16-11;/h3-6,8,11,16H,1-2,7H2,(H,18,20)(H3,15,17,19);1H/t11-;/m0./s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Modulation of human Nav1.3 in open-inactivated state assessed as inhibition of inward current after 4 mins by whole-cell electrophysiology


Eur J Med Chem 74: 23-30 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.034
BindingDB Entry DOI: 10.7270/Q2V69NJW
More data for this
Ligand-Target Pair
Sodium channel protein type 3 subunit alpha


(Homo sapiens (Human))
BDBM50095310
PNG
(CHEMBL3589894)
Show SMILES CNC(=O)c1ccc(c(N)n1)-c1cc(Cl)cc(Cl)c1Cl
Show InChI InChI=1S/C13H10Cl3N3O/c1-18-13(20)10-3-2-7(12(17)19-10)8-4-6(14)5-9(15)11(8)16/h2-5H,1H3,(H2,17,19)(H,18,20)
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n/an/a 1.40E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.3 expressed in SHSY5Y cells assessed as reduction in blue fluorescent signal by VSP-FRET assay


ACS Med Chem Lett 6: 650-4 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00059
BindingDB Entry DOI: 10.7270/Q23R0VMJ
More data for this
Ligand-Target Pair
Sodium channel protein type 3 subunit alpha


(Homo sapiens (Human))
BDBM217483
PNG
(US9212182, 477 | US9212182, 478)
Show SMILES COc1cc(c(F)cc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ccon1)-c1cc(F)cc(Cl)c1 |(-1.33,-5.39,;,-4.62,;1.33,-5.39,;1.33,-6.93,;2.67,-7.7,;4,-6.93,;5.33,-7.7,;4,-5.39,;2.67,-4.62,;2.67,-3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;5.33,-3.08,;-2.67,,;-3.44,-1.33,;-1.9,1.33,;-4,.77,;-4,2.31,;-5.25,3.22,;-4.77,4.68,;-3.23,4.68,;-2.76,3.22,;2.67,-9.24,;1.33,-10.01,;1.33,-11.55,;,-12.32,;2.67,-12.32,;4,-11.55,;5.33,-12.32,;4,-10.01,)|
Show InChI InChI=1S/C25H16ClF2N3O5S/c1-35-23-12-19(15-8-16(26)11-17(27)9-15)20(28)13-22(23)31-21-4-3-18(10-14(21)2-5-25(31)32)37(33,34)30-24-6-7-36-29-24/h2-13H,1H3,(H,29,30)
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SiteOne Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.3 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 3 subunit alpha


(Homo sapiens (Human))
BDBM217483
PNG
(US9212182, 477 | US9212182, 478)
Show SMILES COc1cc(c(F)cc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ccon1)-c1cc(F)cc(Cl)c1 |(-1.33,-5.39,;,-4.62,;1.33,-5.39,;1.33,-6.93,;2.67,-7.7,;4,-6.93,;5.33,-7.7,;4,-5.39,;2.67,-4.62,;2.67,-3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;5.33,-3.08,;-2.67,,;-3.44,-1.33,;-1.9,1.33,;-4,.77,;-4,2.31,;-5.25,3.22,;-4.77,4.68,;-3.23,4.68,;-2.76,3.22,;2.67,-9.24,;1.33,-10.01,;1.33,-11.55,;,-12.32,;2.67,-12.32,;4,-11.55,;5.33,-12.32,;4,-10.01,)|
Show InChI InChI=1S/C25H16ClF2N3O5S/c1-35-23-12-19(15-8-16(26)11-17(27)9-15)20(28)13-22(23)31-21-4-3-18(10-14(21)2-5-25(31)32)37(33,34)30-24-6-7-36-29-24/h2-13H,1H3,(H,29,30)
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SiteOne Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.3 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 3 subunit alpha


(Homo sapiens (Human))
BDBM50520500
PNG
(CHEMBL4451222)
Show SMILES CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@H]1CSSC[C@@H]2NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CSSC[C@H](NC2=O)C(N)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O |r|
Show InChI InChI=1S/C106H174N46O30S4/c1-50(2)81(110)101(182)132-43-77(157)138-64(25-26-79(159)160)94(175)142-61(22-13-31-125-104(116)117)88(169)134-52(4)84(165)151-72-47-185-186-48-73-100(181)150-70(82(111)163)45-183-184-46-71(139-78(158)42-129-85(166)57(20-11-29-123-102(112)113)141-89(170)58(18-7-9-27-107)136-75(155)40-130-86(167)67(36-74(109)154)147-91(172)60(144-99(72)180)19-8-10-28-108)87(168)131-41-76(156)137-59(21-12-30-124-103(114)115)90(171)145-65(34-53-38-128-56-17-6-5-16-55(53)56)95(176)135-51(3)83(164)140-62(23-14-32-126-105(118)119)92(173)148-68(37-80(161)162)97(178)146-66(35-54-39-122-49-133-54)96(177)149-69(44-153)98(179)143-63(93(174)152-73)24-15-33-127-106(120)121/h5-6,16-17,38-39,49-52,57-73,81,128,153H,7-15,18-37,40-48,107-108,110H2,1-4H3,(H2,109,154)(H2,111,163)(H,122,133)(H,129,166)(H,130,167)(H,131,168)(H,132,182)(H,134,169)(H,135,176)(H,136,155)(H,137,156)(H,138,157)(H,139,158)(H,140,164)(H,141,170)(H,142,175)(H,143,179)(H,144,180)(H,145,171)(H,146,178)(H,147,172)(H,148,173)(H,149,177)(H,150,181)(H,151,165)(H,152,174)(H,159,160)(H,161,162)(H4,112,113,123)(H4,114,115,124)(H4,116,117,125)(H4,118,119,126)(H4,120,121,127)/t51-,52-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,81-/m0/s1
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n/an/a 1.57E+4n/an/an/an/an/an/a



Hainan University

Curated by ChEMBL


Assay Description
Inhibition of Nav1.3 (unknown origin) expressed in Xenopus laevis oocytes at -80 mV holding potential by two electrode voltage-clamp assay


J Med Chem 63: 1564-1575 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01409
BindingDB Entry DOI: 10.7270/Q2SQ93SZ
More data for this
Ligand-Target Pair
Sodium channel protein type 3 subunit alpha


(Homo sapiens (Human))
BDBM50494387
PNG
(CHEMBL3085875)
Show SMILES Nc1nc2CCC(CNC(=O)c3cc4ccccc4[nH]3)Cc2s1
Show InChI InChI=1S/C17H18N4OS/c18-17-21-13-6-5-10(7-15(13)23-17)9-19-16(22)14-8-11-3-1-2-4-12(11)20-14/h1-4,8,10,20H,5-7,9H2,(H2,18,21)(H,19,22)
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n/an/a 1.60E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Modulation of human Nav1.3 by automated patch clamp electrophysiology assay


Eur J Med Chem 70: 154-64 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.034
BindingDB Entry DOI: 10.7270/Q2DR2ZF3
More data for this
Ligand-Target Pair
Sodium channel protein type 3 subunit alpha


(Homo sapiens (Human))
BDBM50563816
PNG
(Eleclazine | GS-6615)
Show SMILES FC(F)(F)Oc1ccc(cc1)-c1ccc2OCCN(Cc3ncccn3)C(=O)c2c1
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n/an/a 1.60E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of NaV1.3 (unknown origin) at 10 Hz frequency by whole cell manual patch clamp technique


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00939
BindingDB Entry DOI: 10.7270/Q2VQ36DM
More data for this
Ligand-Target Pair
Sodium channel protein type 3 subunit alpha


(Homo sapiens (Human))
BDBM50031299
PNG
(6-(2,3-Dichloro-phenyl)-[1,2,4]triazine-3,5-diamin...)
Show SMILES Nc1nnc(c(N)n1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)
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n/an/a 1.70E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.3 expressed in SHSY5Y cells assessed as reduction in blue fluorescent signal by VSP-FRET assay


ACS Med Chem Lett 6: 650-4 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00059
BindingDB Entry DOI: 10.7270/Q23R0VMJ
More data for this
Ligand-Target Pair
Sodium channel protein type 3 subunit alpha


(Homo sapiens (Human))
BDBM50095292
PNG
(CHEMBL3085874)
Show SMILES Nc1nc2CCC(CNC(=O)c3cc(Br)c(Br)[nH]3)Cc2s1
Show InChI InChI=1S/C19H18Cl2N4O/c1-26-12-4-5-13-14(8-12)19(25-6-2-3-7-25)24-23-18(13)9-15-16(20)10-22-11-17(15)21/h4-5,8,10-11H,2-3,6-7,9H2,1H3
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n/an/a 1.80E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Modulation of human Nav1.3 by automated patch clamp electrophysiology assay


Eur J Med Chem 70: 154-64 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.034
BindingDB Entry DOI: 10.7270/Q2DR2ZF3
More data for this
Ligand-Target Pair
Sodium channel protein type 3 subunit alpha


(Homo sapiens (Human))
BDBM50544651
PNG
(CHEMBL4634172)
Show SMILES NC(=O)C1Cc2cc(OCc3ccccc3F)ccc2CN1
Show InChI InChI=1S/C17H17FN2O2/c18-15-4-2-1-3-12(15)10-22-14-6-5-11-9-20-16(17(19)21)8-13(11)7-14/h1-7,16,20H,8-10H2,(H2,19,21)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Convergence Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Nav1.3 (unknown origin) expressed in HEK293 cells assessed as inhibition of sodium current incubated for 3 to 3.5 mins by electrophysio...


ACS Med Chem Lett 11: 1678-1687 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00263
BindingDB Entry DOI: 10.7270/Q25X2DHX
More data for this
Ligand-Target Pair
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