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Compile Data Set for Download or QSAR

Found 634 hits Enz. Inhib. hit(s) with Target = 'Sodium channel alpha subunits; brain (Types I, II, III)'   
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
Voltage-gated sodium channel subunit alpha Nav1.1 (Nav1.1)


(Homo sapiens (Human))
BDBM50171290
PNG
(5-(4-Bromo-phenyl)-1-(2,4-dichloro-phenyl)-4-ethyl...)
Show SMILES CCc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C23H23BrCl2N4O/c1-2-18-21(23(31)28-29-12-4-3-5-13-29)27-30(20-11-10-17(25)14-19(20)26)22(18)15-6-8-16(24)9-7-15/h6-11,14H,2-5,12-13H2,1H3,(H,28,31)
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1.00E+3n/an/an/an/an/an/an/an/a



Sanofi-Synthelabo Recherche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 905-14 (2004)


Article DOI: 10.1124/jpet.104.067884
BindingDB Entry DOI: 10.7270/Q2RR1WTX
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.2 (Nav1.2)


(Homo sapiens (Human))
BDBM50171290
PNG
(5-(4-Bromo-phenyl)-1-(2,4-dichloro-phenyl)-4-ethyl...)
Show SMILES CCc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C23H23BrCl2N4O/c1-2-18-21(23(31)28-29-12-4-3-5-13-29)27-30(20-11-10-17(25)14-19(20)26)22(18)15-6-8-16(24)9-7-15/h6-11,14H,2-5,12-13H2,1H3,(H,28,31)
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1.00E+3n/an/an/an/an/an/an/an/a



Sanofi-Synthelabo Recherche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 905-14 (2004)


Article DOI: 10.1124/jpet.104.067884
BindingDB Entry DOI: 10.7270/Q2RR1WTX
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.2 (Nav1.2)


(Homo sapiens (Human))
BDBM21280
PNG
(5-(4-chloro-3-methylphenyl)-1-[(4-methylphenyl)met...)
Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2[C@@]3(C)CCC(C3)C2(C)C)cc1 |r,TLB:21:22:28:26.25|
Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)/t22?,27?,29-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Sanofi Recherche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 284: 644-50 (1998)


Article DOI: 10.1021/acschembio.5b00817
BindingDB Entry DOI: 10.7270/Q2D50KHT
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.2 (Nav1.2)


(Homo sapiens (Human))
BDBM50049750
PNG
((S)-3-(azetidin-2-ylmethoxy)pyridine | 3-((S)-1-Az...)
Show SMILES C(Oc1cccnc1)[C@@H]1CCN1 |r|
Show InChI InChI=1S/C9H12N2O/c1-2-9(6-10-4-1)12-7-8-3-5-11-8/h1-2,4,6,8,11H,3,5,7H2/t8-/m0/s1
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Abbott Laboratories

Curated by PDSP Ki Database




Neuropharmacology 35: 725-34 (1996)


Article DOI: 10.1016/0028-3908(96)84644-2
BindingDB Entry DOI: 10.7270/Q237777N
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.1 (Nav1.1)


(Homo sapiens (Human))
BDBM50049750
PNG
((S)-3-(azetidin-2-ylmethoxy)pyridine | 3-((S)-1-Az...)
Show SMILES C(Oc1cccnc1)[C@@H]1CCN1 |r|
Show InChI InChI=1S/C9H12N2O/c1-2-9(6-10-4-1)12-7-8-3-5-11-8/h1-2,4,6,8,11H,3,5,7H2/t8-/m0/s1
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Abbott Laboratories

Curated by PDSP Ki Database




Neuropharmacology 35: 725-34 (1996)


Article DOI: 10.1016/0028-3908(96)84644-2
BindingDB Entry DOI: 10.7270/Q237777N
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.1 (Nav1.1)


(Homo sapiens (Human))
BDBM21280
PNG
(5-(4-chloro-3-methylphenyl)-1-[(4-methylphenyl)met...)
Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2[C@@]3(C)CCC(C3)C2(C)C)cc1 |r,TLB:21:22:28:26.25|
Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)/t22?,27?,29-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Sanofi Recherche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 284: 644-50 (1998)


Article DOI: 10.1021/acschembio.5b00817
BindingDB Entry DOI: 10.7270/Q2D50KHT
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.2 (Nav1.2)


(Homo sapiens (Human))
BDBM50118514
PNG
(CHEMBL3617063 | US9481677, 38)
Show SMILES Nc1nc2cc(ccc2[nH]1)-c1cc(Cl)ccc1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1
Show InChI InChI=1S/C21H13ClF2N6O3S2/c22-11-2-4-17(12(6-11)10-1-3-15-16(5-10)29-20(25)28-15)33-18-7-14(24)19(8-13(18)23)35(31,32)30-21-26-9-27-34-21/h1-9H,(H3,25,28,29)(H,26,27,30)
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n/an/a 0.200n/an/an/an/an/an/a



Xenon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length human Nav1.2 channel expressed in HEK cells co-expressing human sodium channel subunit beta1 at holding potential -35 mV by...


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


BindingDB Entry DOI: 10.7270/Q2J1052W
More data for this
Ligand-Target Pair
Sodium channel alpha subunits; brain (Types I, II, III)


(Homo sapiens (Human))
BDBM50233223
PNG
(CHEMBL4060338)
Show SMILES CCCCCCCCCC[C@@H]1C[C@]2(CCCO2)NC(=N)N1 |r|
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n/an/a 0.280n/an/an/an/an/an/a



Tohoku University

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1247-1251 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9TC3
More data for this
Ligand-Target Pair
Sodium channel alpha subunits; brain (Types I, II, III)


(Homo sapiens (Human))
BDBM50233223
PNG
(CHEMBL4060338)
Show SMILES CCCCCCCCCC[C@@H]1C[C@]2(CCCO2)NC(=N)N1 |r|
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n/an/a 0.450n/an/an/an/an/an/a



Tohoku University

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1247-1251 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9TC3
More data for this
Ligand-Target Pair
Sodium channel alpha subunits; brain (Types I, II, III)


(Homo sapiens (Human))
BDBM50233224
PNG
(CHEMBL4070670)
Show SMILES CCCCCCCCCC[C@H]1C[C@@]2(CCCO2)NC(=N)N1 |r|
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n/an/a 2n/an/an/an/an/an/a



Tohoku University

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1247-1251 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9TC3
More data for this
Ligand-Target Pair
Sodium channel alpha subunits; brain (Types I, II, III)


(Homo sapiens (Human))
BDBM50233224
PNG
(CHEMBL4070670)
Show SMILES CCCCCCCCCC[C@H]1C[C@@]2(CCCO2)NC(=N)N1 |r|
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n/an/a 2.10n/an/an/an/an/an/a



Tohoku University

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1247-1251 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9TC3
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.2 (Nav1.2)


(Homo sapiens (Human))
BDBM50169425
PNG
(CHEMBL3341983 | US9481677, 44)
Show SMILES Nc1noc2ccc(cc12)-c1cc(Cl)ccc1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1
Show InChI InChI=1S/C21H12ClF2N5O4S2/c22-11-2-4-16(12(6-11)10-1-3-17-13(5-10)20(25)28-33-17)32-18-7-15(24)19(8-14(18)23)35(30,31)29-21-26-9-27-34-21/h1-9H,(H2,25,28)(H,26,27,29)
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n/an/a 4.20n/an/an/an/an/an/a



Xenon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length human Nav1.2 channel expressed in HEK cells co-expressing human sodium channel subunit beta1 at holding potential -35 mV by...


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


BindingDB Entry DOI: 10.7270/Q2J1052W
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.2 (Nav1.2)


(Homo sapiens (Human))
BDBM50118519
PNG
(CHEMBL3617050)
Show SMILES [H][C@@]12C[C@]3(CN4C(=N)N[C@@]([H])(C(=O)N1OC[C@@H]2CO)[C@]1([H])N(COC(=O)NO)C(=N)N[C@]41C3(O)O)OS(O)(=O)=O |r|
Show InChI InChI=1/C16H24N8O12S/c17-11-19-8-9-15(20-12(18)22(9)5-34-13(27)21-30)16(28,29)14(4-23(11)15,36-37(31,32)33)1-7-6(2-25)3-35-24(7)10(8)26/h6-9,25,28-30H,1-5H2,(H2,17,19)(H2,18,20)(H,21,27)(H,31,32,33)/t6-,7-,8+,9-,14+,15-/s2
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n/an/a 6.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of NaV1.2 channel (unknown origin) expressed in Xenopus laevis oocytes by two-electrode oocyte voltage-clamp method


J Med Chem 58: 7093-118 (2015)


BindingDB Entry DOI: 10.7270/Q2XS5X6P
More data for this
Ligand-Target Pair
Sodium channel alpha subunits; brain (Types I, II, III)


(Homo sapiens (Human))
BDBM50233222
PNG
(CHEMBL4082248)
Show SMILES CCCCCCCCCC[C@@H]1NC(=N)N[C@]2(CCCO2)[C@@H]1C(O)=O |r|
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n/an/a 7.5n/an/an/an/an/an/a



Tohoku University

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1247-1251 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9TC3
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.3 (Nav1.3)


(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)


BindingDB Entry DOI: 10.7270/Q2XS5X6P
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.1 (Nav1.1)


(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)


BindingDB Entry DOI: 10.7270/Q2XS5X6P
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.3 (Nav1.3)


(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|
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


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 alpha subunits; brain (Types I, II, III)


(Homo sapiens (Human))
BDBM50233221
PNG
(CHEMBL4064160)
Show SMILES CCCCCCCCCC[C@H]1NC(=N)N[C@@]2(CCCO2)[C@H]1C(O)=O |r|
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n/an/a 26n/an/an/an/an/an/a



Tohoku University

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1247-1251 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9TC3
More data for this
Ligand-Target Pair
Sodium channel alpha subunits; brain (Types I, II, III)


(Homo sapiens (Human))
BDBM50242509
PNG
(CHEMBL4068937)
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n/an/a 29n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2683-2688 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.040
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.1 (Nav1.1)


(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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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
Voltage-gated sodium channel subunit alpha Nav1.3 (Nav1.3)


(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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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
Voltage-gated sodium channel subunit alpha Nav1.2 (Nav1.2)


(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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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of voltage-gated Na channel 1.2 (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
Voltage-gated sodium channel subunit alpha Nav1.3 (Nav1.3)


(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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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 alpha subunits; brain (Types I, II, III)


(Homo sapiens (Human))
BDBM50233222
PNG
(CHEMBL4082248)
Show SMILES CCCCCCCCCC[C@@H]1NC(=N)N[C@]2(CCCO2)[C@@H]1C(O)=O |r|
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Tohoku University

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1247-1251 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9TC3
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.2 (Nav1.2)


(Homo sapiens (Human))
BDBM50329209
PNG
(5-(4-chlorophenyl)-N-(2-(piperidin-1-yl)benzyl)nic...)
Show SMILES Clc1ccc(cc1)-c1cncc(c1)C(=O)NCc1ccccc1N1CCCCC1
Show InChI InChI=1S/C24H24ClN3O/c25-22-10-8-18(9-11-22)20-14-21(16-26-15-20)24(29)27-17-19-6-2-3-7-23(19)28-12-4-1-5-13-28/h2-3,6-11,14-16H,1,4-5,12-13,17H2,(H,27,29)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.2 by electrophysiology


Bioorg Med Chem Lett 20: 6812-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.121
BindingDB Entry DOI: 10.7270/Q2F76CS6
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.2 (Nav1.2)


(Homo sapiens (Human))
BDBM50329205
PNG
(5-(4-chlorophenyl)-N-((2-(piperidin-1-yl)pyridin-3...)
Show SMILES Clc1ccc(cc1)-c1cncc(c1)C(=O)NCc1cccnc1N1CCCCC1
Show InChI InChI=1S/C23H23ClN4O/c24-21-8-6-17(7-9-21)19-13-20(15-25-14-19)23(29)27-16-18-5-4-10-26-22(18)28-11-2-1-3-12-28/h4-10,13-15H,1-3,11-12,16H2,(H,27,29)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.2 by electrophysiology


Bioorg Med Chem Lett 20: 6812-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.121
BindingDB Entry DOI: 10.7270/Q2F76CS6
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.2 (Nav1.2)


(Homo sapiens (Human))
BDBM50270707
PNG
(CHEMBL486495 | [5-(4-tert-Butylphenyl)furan-2-yl]-...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1ccc(o1)C(=O)N1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C25H34N2O2/c1-25(2,3)20-11-9-19(10-12-20)22-13-14-23(29-22)24(28)27-17-15-26(16-18-27)21-7-5-4-6-8-21/h9-14,21H,4-8,15-18H2,1-3H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Nav1.2 channel expressed in HEK293 cells by whole cell voltage clamp technique


Bioorg Med Chem 16: 6379-86 (2008)


Article DOI: 10.1016/j.bmc.2008.05.003
BindingDB Entry DOI: 10.7270/Q2VH5NNT
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.2 (Nav1.2)


(Homo sapiens (Human))
BDBM50329211
PNG
(5-(4-chlorophenyl)-N-(2-methylbenzyl)nicotinamide ...)
Show SMILES Cc1ccccc1CNC(=O)c1cncc(c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H17ClN2O/c1-14-4-2-3-5-16(14)13-23-20(24)18-10-17(11-22-12-18)15-6-8-19(21)9-7-15/h2-12H,13H2,1H3,(H,23,24)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.2 by electrophysiology


Bioorg Med Chem Lett 20: 6812-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.121
BindingDB Entry DOI: 10.7270/Q2F76CS6
More data for this
Ligand-Target Pair
Sodium channel alpha subunits; brain (Types I, II, III)


(Homo sapiens (Human))
BDBM50240267
PNG
(CHEMBL2325014)
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Icagen Inc. , 4222 Emperor Blvd no. 350, Durham, North Carolina 27703, United States.

Curated by ChEMBL




J Med Chem 60: 7029-7042 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00598
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.2 (Nav1.2)


(Homo sapiens (Human))
BDBM50329208
PNG
(5-(4-chlorophenyl)-N-(2-morpholinobenzyl)nicotinam...)
Show SMILES Clc1ccc(cc1)-c1cncc(c1)C(=O)NCc1ccccc1N1CCOCC1
Show InChI InChI=1S/C23H22ClN3O2/c24-21-7-5-17(6-8-21)19-13-20(15-25-14-19)23(28)26-16-18-3-1-2-4-22(18)27-9-11-29-12-10-27/h1-8,13-15H,9-12,16H2,(H,26,28)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.2 by electrophysiology


Bioorg Med Chem Lett 20: 6812-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.121
BindingDB Entry DOI: 10.7270/Q2F76CS6
More data for this
Ligand-Target Pair
Sodium channel alpha subunits; brain (Types I, II, III)


(Homo sapiens (Human))
BDBM50257215
PNG
(CHEMBL2324411)
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Icagen Inc. , 4222 Emperor Blvd no. 350, Durham, North Carolina 27703, United States.

Curated by ChEMBL




J Med Chem 60: 7029-7042 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00598
More data for this
Ligand-Target Pair
Sodium channel alpha subunits; brain (Types I, II, III)


(Homo sapiens (Human))
BDBM50233221
PNG
(CHEMBL4064160)
Show SMILES CCCCCCCCCC[C@H]1NC(=N)N[C@@]2(CCCO2)[C@H]1C(O)=O |r|
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Tohoku University

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1247-1251 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9TC3
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.2 (Nav1.2)


(Homo sapiens (Human))
BDBM50259542
PNG
(2-(3-Trifluoromethylphenyl)-4(5)-(3-trifluoromethy...)
Show SMILES FC(F)(F)c1cccc(c1)-c1c[nH]c(n1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C17H10F6N2/c18-16(19,20)12-5-1-3-10(7-12)14-9-24-15(25-14)11-4-2-6-13(8-11)17(21,22)23/h1-9H,(H,24,25)
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Università degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.2 channel expressed in HEK cells by patch-clamp electrophysiology method


Bioorg Med Chem 17: 3642-8 (2009)


Article DOI: 10.1016/j.bmc.2009.03.067
BindingDB Entry DOI: 10.7270/Q2GQ6XN5
More data for this
Ligand-Target Pair
Sodium channel alpha subunits; brain (Types I, II, III)


(Homo sapiens (Human))
BDBM50257215
PNG
(CHEMBL2324411)
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Icagen Inc. , 4222 Emperor Blvd no. 350, Durham, North Carolina 27703, United States.

Curated by ChEMBL




J Med Chem 60: 7029-7042 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00598
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.2 (Nav1.2)


(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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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.2 channel by patch clamp electrophysiology assay


J Med Chem 58: 7093-118 (2015)


BindingDB Entry DOI: 10.7270/Q2XS5X6P
More data for this
Ligand-Target Pair
Sodium channel alpha subunits; brain (Types I, II, III)


(Homo sapiens (Human))
BDBM50257182
PNG
(CHEMBL2324753)
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Icagen Inc. , 4222 Emperor Blvd no. 350, Durham, North Carolina 27703, United States.

Curated by ChEMBL




J Med Chem 60: 7029-7042 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00598
More data for this
Ligand-Target Pair
Sodium channel alpha subunits; brain (Types I, II, III)


(Homo sapiens (Human))
BDBM50257215
PNG
(CHEMBL2324411)
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Icagen Inc. , 4222 Emperor Blvd no. 350, Durham, North Carolina 27703, United States.

Curated by ChEMBL




J Med Chem 60: 7029-7042 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00598
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.3 (Nav1.3)


(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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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
Voltage-gated sodium channel subunit alpha Nav1.2 (Nav1.2)


(Homo sapiens (Human))
BDBM50270679
PNG
(CHEMBL482676 | [5-(4-Chlorophenyl)furan-2-yl]-(4-c...)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)C(=O)N1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C21H25ClN2O2/c22-17-8-6-16(7-9-17)19-10-11-20(26-19)21(25)24-14-12-23(13-15-24)18-4-2-1-3-5-18/h6-11,18H,1-5,12-15H2
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n/an/a 350n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Nav1.2 channel expressed in HEK293 cells by whole cell voltage clamp technique


Bioorg Med Chem 16: 6379-86 (2008)


Article DOI: 10.1016/j.bmc.2008.05.003
BindingDB Entry DOI: 10.7270/Q2VH5NNT
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.2 (Nav1.2)


(Homo sapiens (Human))
BDBM50330949
PNG
(CHEMBL1277877 | N-(3,5-Dimethylphenyl)-6-(4-ethoxy...)
Show SMILES CCOc1ccc(cc1)-c1cncc(n1)C(=O)Nc1cc(C)cc(C)c1
Show InChI InChI=1S/C21H21N3O2/c1-4-26-18-7-5-16(6-8-18)19-12-22-13-20(24-19)21(25)23-17-10-14(2)9-15(3)11-17/h5-13H,4H2,1-3H3,(H,23,25)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NaV1.2 by electrophysiology


Bioorg Med Chem 18: 7816-25 (2010)


Article DOI: 10.1016/j.bmc.2010.09.057
BindingDB Entry DOI: 10.7270/Q24B31KG
More data for this
Ligand-Target Pair
Sodium channel alpha subunits; brain (Types I, II, III)


(Homo sapiens (Human))
BDBM50257175
PNG
(CHEMBL2324776)
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Icagen Inc. , 4222 Emperor Blvd no. 350, Durham, North Carolina 27703, United States.

Curated by ChEMBL




J Med Chem 60: 7029-7042 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00598
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.1 (Nav1.1)


(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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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)


BindingDB Entry DOI: 10.7270/Q2PG1TNG
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.2 (Nav1.2)


(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 1 Hz stimulated Nav1.2 (unknown origin) by manual patch clamp method


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


BindingDB Entry DOI: 10.7270/Q2PG1TNG
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.2 (Nav1.2)


(Homo sapiens (Human))
BDBM50330948
PNG
(CHEMBL1277959 | N-(2-Methylbenzyl)-6-(4-ethoxyphen...)
Show SMILES CCOc1ccc(cc1)-c1cncc(n1)C(=O)NCc1ccccc1C
Show InChI InChI=1S/C21H21N3O2/c1-3-26-18-10-8-16(9-11-18)19-13-22-14-20(24-19)21(25)23-12-17-7-5-4-6-15(17)2/h4-11,13-14H,3,12H2,1-2H3,(H,23,25)
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n/an/a 470n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NaV1.2 by electrophysiology


Bioorg Med Chem 18: 7816-25 (2010)


Article DOI: 10.1016/j.bmc.2010.09.057
BindingDB Entry DOI: 10.7270/Q24B31KG
More data for this
Ligand-Target Pair
Sodium channel alpha subunits; brain (Types I, II, III)


(Homo sapiens (Human))
BDBM373868
PNG
((S)-2-fluoro-5-methyl-4-(methyl(1-((2-phenylthiazo...)
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n/an/a 564n/an/an/an/an/an/a



St. Jude Research Hospital





J Med Chem 50: 1876-85 (2007)


Article DOI: 10.1021/jm061471k
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.2 (Nav1.2)


(Homo sapiens (Human))
BDBM50107034
PNG
(CHEMBL108347 | N-(4-Butoxy-benzoyl)-N'-(4-phenyl-b...)
Show SMILES CCCCOc1ccc(cc1)C(=O)NC(N)=NCCCCc1ccccc1 |w:16.17|
Show InChI InChI=1S/C22H29N3O2/c1-2-3-17-27-20-14-12-19(13-15-20)21(26)25-22(23)24-16-8-7-11-18-9-5-4-6-10-18/h4-6,9-10,12-15H,2-3,7-8,11,16-17H2,1H3,(H3,23,24,25,26)
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CeNeS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of sodium channel blockade in CHO cells expressing neuronal mammalian type IIA (CNaIIA) sodium channel


Bioorg Med Chem Lett 11: 3151-5 (2001)


BindingDB Entry DOI: 10.7270/Q2PC31P4
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.1 (Nav1.1)


(Homo sapiens (Human))
BDBM50130525
PNG
(CHEMBL3632641)
Show SMILES OC(COc1ccc(cc1)C(=O)c1ccccc1)CN1CCC(CC1)N1Cc2ccccc2C1=O
Show InChI InChI=1/C29H30N2O4/c32-25(20-35-26-12-10-22(11-13-26)28(33)21-6-2-1-3-7-21)19-30-16-14-24(15-17-30)31-18-23-8-4-5-9-27(23)29(31)34/h1-13,24-25,32H,14-20H2
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n/an/a 670n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.1 by IonWorks quattro automated electrophysiology assay


Bioorg Med Chem Lett 25: 5419-23 (2015)


BindingDB Entry DOI: 10.7270/Q2930W06
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.2 (Nav1.2)


(Homo sapiens (Human))
BDBM50329206
PNG
(5-(4-chlorophenyl)-N-((2-ethoxypyridin-3-yl)methyl...)
Show SMILES CCOc1ncccc1CNC(=O)c1cncc(c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H18ClN3O2/c1-2-26-20-15(4-3-9-23-20)13-24-19(25)17-10-16(11-22-12-17)14-5-7-18(21)8-6-14/h3-12H,2,13H2,1H3,(H,24,25)
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n/an/a 670n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.2 by electrophysiology


Bioorg Med Chem Lett 20: 6812-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.121
BindingDB Entry DOI: 10.7270/Q2F76CS6
More data for this
Ligand-Target Pair
Sodium channel alpha subunits; brain (Types I, II, III)


(Homo sapiens (Human))
BDBM50240267
PNG
(CHEMBL2325014)
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n/an/a 677n/an/an/an/an/an/a



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

Curated by ChEMBL




J Med Chem 60: 7029-7042 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00598
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.2 (Nav1.2)


(Homo sapiens (Human))
BDBM50107029
PNG
(CHEMBL108727 | N-(4-Ethoxy-benzoyl)-N'-(4-phenyl-b...)
Show SMILES CCOc1ccc(cc1)C(=O)NC(N)=NCCCCc1ccccc1 |w:14.15|
Show InChI InChI=1S/C20H25N3O2/c1-2-25-18-13-11-17(12-14-18)19(24)23-20(21)22-15-7-6-10-16-8-4-3-5-9-16/h3-5,8-9,11-14H,2,6-7,10,15H2,1H3,(H3,21,22,23,24)
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CeNeS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of sodium channel blockade in CHO cells expressing neuronal mammalian type IIA (CNaIIA) sodium channel


Bioorg Med Chem Lett 11: 3151-5 (2001)


BindingDB Entry DOI: 10.7270/Q2PC31P4
More data for this
Ligand-Target Pair
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