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Compile Data Set for Download or QSAR

Found 22 hits Enz. Inhib. hit(s) with Target = 'Sodium channel protein type III alpha subunit' AND taxid = 9606   
Target
(Institution)
LigandTarget
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 III alpha subunit


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
Sodium channel protein type III alpha subunit


(Homo sapiens)
BDBM50077471
PNG
(CHEMBL3416886)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@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](Cc4ccccc4)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2c[nH]c4ccccc24)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC3=O)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)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@@H]2CCCN2C1=O)C(C)C
Show InChI InChI=1/C176H271N53O45S7/c1-13-92(10)139-173(274)229-63-34-49-130(229)168(269)215-121(76-136(240)241)157(258)212-118(73-131(182)233)154(255)213-120(75-135(238)239)156(257)202-106(44-25-29-58-180)148(249)219-126-84-279-277-82-124(161(262)204-104(42-23-27-56-178)145(246)210-115(69-96-50-52-99(232)53-51-96)159(260)225-137(90(6)7)169(270)207-111(141(184)242)67-94-35-16-14-17-36-94)221-152(253)116(70-97-77-195-102-40-21-20-39-100(97)102)211-146(247)103(41-22-26-55-177)201-153(254)117(71-98-78-191-87-197-98)216-171(272)140(93(11)231)227-150(251)108(46-31-60-193-175(187)188)203-160(261)122(80-230)217-164(265)127-85-280-281-86-128(166(267)226-139)220-147(248)105(43-24-28-57-179)199-144(245)107(45-30-59-192-174(185)186)200-149(250)109(54-64-275-12)205-151(252)114(68-95-37-18-15-19-38-95)198-133(235)79-196-143(244)112(65-88(2)3)208-163(264)123(218-142(243)101(181)72-134(236)237)81-276-278-83-125(222-165(126)266)162(263)206-110(47-32-61-194-176(189)190)172(273)228-62-33-48-129(228)167(268)214-119(74-132(183)234)155(256)209-113(66-89(4)5)158(259)224-138(91(8)9)170(271)223-127/h14-21,35-40,50-53,77-78,87-93,101,103-130,137-140,195,230-232H,13,22-34,41-49,54-76,79-86,177-181H2,1-12H3,(H2,182,233)(H2,183,234)(H2,184,242)(H,191,197)(H,196,244)(H,198,235)(H,199,245)(H,200,250)(H,201,254)(H,202,257)(H,203,261)(H,204,262)(H,205,252)(H,206,263)(H,207,270)(H,208,264)(H,209,256)(H,210,246)(H,211,247)(H,212,258)(H,213,255)(H,214,268)(H,215,269)(H,216,272)(H,217,265)(H,218,243)(H,219,249)(H,220,248)(H,221,253)(H,222,266)(H,223,271)(H,224,259)(H,225,260)(H,226,267)(H,227,251)(H,236,237)(H,238,239)(H,240,241)(H4,185,186,192)(H4,187,188,193)(H4,189,190,194)/t92-,93+,101-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,137-,138-,139-,140-/s2
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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


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


(Homo sapiens)
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
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)


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


(Homo sapiens)
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


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


(Homo sapiens)
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...


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


(Homo sapiens)
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)


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


(Homo sapiens)
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


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


(Homo sapiens)
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


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


(Homo sapiens)
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


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


(Homo sapiens)
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


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


(Homo sapiens)
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


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


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
Sodium channel protein type III alpha subunit


(Homo sapiens)
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


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


(Homo sapiens)
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...


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


(Homo sapiens)
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


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


(Homo sapiens)
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


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


(Homo sapiens)
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


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


(Homo sapiens)
BDBM50008746
PNG
(CHEMBL3236343)
Show SMILES O=C(NCc1noc(n1)-c1nn(CCn2ccnc2)c2ccccc12)c1ccccc1
Show InChI InChI=1S/C22H19N7O2/c30-21(16-6-2-1-3-7-16)24-14-19-25-22(31-27-19)20-17-8-4-5-9-18(17)29(26-20)13-12-28-11-10-23-15-28/h1-11,15H,12-14H2,(H,24,30)
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n/an/a 2.20E+4n/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


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


(Homo sapiens)
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 9.70E+4n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.3 assessed as 10 Hz block by patch-clamp electrophysiology/cell based assay


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


(Homo sapiens)
BDBM50008746
PNG
(CHEMBL3236343)
Show SMILES O=C(NCc1noc(n1)-c1nn(CCn2ccnc2)c2ccccc12)c1ccccc1
Show InChI InChI=1S/C22H19N7O2/c30-21(16-6-2-1-3-7-16)24-14-19-25-22(31-27-19)20-17-8-4-5-9-18(17)29(26-20)13-12-28-11-10-23-15-28/h1-11,15H,12-14H2,(H,24,30)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.3 assessed as 10 Hz block by patch-clamp electrophysiology/cell based assay


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


(Homo sapiens)
BDBM50008746
PNG
(CHEMBL3236343)
Show SMILES O=C(NCc1noc(n1)-c1nn(CCn2ccnc2)c2ccccc12)c1ccccc1
Show InChI InChI=1S/C22H19N7O2/c30-21(16-6-2-1-3-7-16)24-14-19-25-22(31-27-19)20-17-8-4-5-9-18(17)29(26-20)13-12-28-11-10-23-15-28/h1-11,15H,12-14H2,(H,24,30)
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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University College London

Curated by ChEMBL


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


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


(Homo sapiens)
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)
PDB
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University College London

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair