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Compile Data Set for Download or QSAR

Found 463 hits Enz. Inhib. hit(s) with Target = 'Sodium channel protein type 2 subunit alpha'   
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 2 subunit alpha


(Rattus norvegicus)		BDBM50030510
PNG
(CHEMBL299668 | [1-Benzyl-7-chloro-1H-quinolin-(4E)...)
Show SMILES CCCCC\N=c1/ccn(Cc2ccccc2)c2cc(Cl)ccc12
Show InChI InChI=1S/C21H23ClN2/c1-2-3-7-13-23-20-12-14-24(16-17-8-5-4-6-9-17)21-15-18(22)10-11-19(20)21/h4-6,8-12,14-15H,2-3,7,13,16H2,1H3/b23-20+
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 9n/an/an/an/an/an/an/an/a



Institute of Nuclear Medicine

Curated by ChEMBL


Assay Description
Inhibition of rat brain voltage-gated sodium channel subunit alpha Nav1.2-mediated current expressed in CHO cells

Bioorg Med Chem Lett 23: 5170-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.014
BindingDB Entry DOI: 10.7270/Q2J38WH4
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Rattus norvegicus)		BDBM82071
PNG
(CAS_93413-69-5 | CAS_99300-78-4 | NSC_62923 | VENL...)
Show SMILES COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1
Show InChI InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3
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 1.00E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




Neuropsychopharmacology 25: 871-80 (2001)


Article DOI: 10.1016/S0893-133X(01)00298-6
BindingDB Entry DOI: 10.7270/Q25M648W
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(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
Sodium channel protein type 2 subunit alpha


(Rattus norvegicus)		BDBM84745
PNG
(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Show SMILES CNCC[C@H](Oc1cccc2ccccc12)c1cccs1 |r|
Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1
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 1.00E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




Neuropsychopharmacology 25: 871-80 (2001)


Article DOI: 10.1016/S0893-133X(01)00298-6
BindingDB Entry DOI: 10.7270/Q25M648W
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Rattus norvegicus)		BDBM50022784
PNG
((R)-N-methyl-3-phenyl-3-(o-tolyloxy)propan-1-amine...)
Show SMILES CNCCC(Oc1ccccc1C)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3
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 1.00E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




Neuropsychopharmacology 27: 699-711 (2002)


Article DOI: 10.1016/S0893-133X(02)00346-9
BindingDB Entry DOI: 10.7270/Q2GQ6W98
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Rattus norvegicus)		BDBM50094703
PNG
(5-(3-Bromo-phenyl)-7-(6-morpholin-4-yl-pyridin-3-y...)
Show SMILES Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C22H19BrN6O/c23-16-3-1-2-14(10-16)17-11-18(28-22-20(17)21(24)26-13-27-22)15-4-5-19(25-12-15)29-6-8-30-9-7-29/h1-5,10-13H,6-9H2,(H2,24,26,27,28)
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>1.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 295: 1156-64 (2000)


BindingDB Entry DOI: 10.7270/Q2DF6PSP
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(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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>1.00E+4n/an/an/an/an/an/an/an/a



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
Sodium channel protein type 2 subunit alpha


(Rattus norvegicus)		BDBM50133817
PNG
(4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic ...)
Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1
Show InChI InChI=1S/C20H25ClN4O/c1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18/h4-10H,11-14H2,1-3H3,(H,23,26)
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>1.00E+4n/an/an/an/an/an/an/an/a



Pudue Pharma Discovery Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 306: 377-86 (2003)


Article DOI: 10.1124/jpet.102.045674
BindingDB Entry DOI: 10.7270/Q2TX3CX5
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(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)


BindingDB Entry DOI: 10.7270/Q2D50KHT
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Homo sapiens (Human))		BDBM152638
PNG
(4-(1,3-Dioxoisoindolin-2-yl)benzenesulphonamide (1...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C30H24N4S/c35-30(33-21-8-2-1-3-9-21)34-22-16-14-20(15-17-22)29(25-18-31-27-12-6-4-10-23(25)27)26-19-32-28-13-7-5-11-24(26)28/h1-19,29,31-32H,(H2,33,34,35)
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 1.60E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to Nav 1.2 (unknown origin)

Citation and Details

Article DOI: 10.1007/s00044-012-0256-y
BindingDB Entry DOI: 10.7270/Q20P12XT
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Homo sapiens (Human))		BDBM50488718
PNG
(CHEMBL2298874)
Show SMILES CC(=O)Nc1ccc(cc1)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C16H12N2O3/c1-10(19)17-11-6-8-12(9-7-11)18-15(20)13-4-2-3-5-14(13)16(18)21/h2-9H,1H3,(H,17,19)
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Article
 1.83E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to Nav 1.2 (unknown origin)

Citation and Details

Article DOI: 10.1007/s00044-012-0256-y
BindingDB Entry DOI: 10.7270/Q20P12XT
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Homo sapiens (Human))		BDBM50488723
PNG
(CHEMBL2298877)
Show SMILES COc1ccc(N2C(=O)c3ccccc3C2=O)c(N)c1
Show InChI InChI=1S/C15H12N2O3/c1-20-9-6-7-13(12(16)8-9)17-14(18)10-4-2-3-5-11(10)15(17)19/h2-8H,16H2,1H3
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Article
 2.03E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to Nav 1.2 (unknown origin)

Citation and Details

Article DOI: 10.1007/s00044-012-0256-y
BindingDB Entry DOI: 10.7270/Q20P12XT
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Homo sapiens (Human))		BDBM50488721
PNG
(CHEMBL2430974)
Show SMILES [O-][N+](=O)c1cccc(c1)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C14H8N2O4/c17-13-11-6-1-2-7-12(11)14(18)15(13)9-4-3-5-10(8-9)16(19)20/h1-8H
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Article
 2.18E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to Nav 1.2 (unknown origin)

Citation and Details

Article DOI: 10.1007/s00044-012-0256-y
BindingDB Entry DOI: 10.7270/Q20P12XT
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Homo sapiens (Human))		BDBM45791
PNG
(4-(1,3-dioxo-2-isoindolyl)benzoic acid | 4-(1,3-di...)
Show SMILES OC(=O)c1ccc(cc1)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C15H9NO4/c17-13-11-3-1-2-4-12(11)14(18)16(13)10-7-5-9(6-8-10)15(19)20/h1-8H,(H,19,20)
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Article
 5.04E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to Nav 1.2 (unknown origin)

Citation and Details

Article DOI: 10.1007/s00044-012-0256-y
BindingDB Entry DOI: 10.7270/Q20P12XT
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Homo sapiens (Human))		BDBM50101816
PNG
(CHEBI:8107 | Dilabid | Dilantin | Dilantin-125 | D...)
Show SMILES OC1=NC(=O)C(N1)(c1ccccc1)c1ccccc1 |t:1|
Show InChI InChI=1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)
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Article
 5.34E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to Nav 1.2 (unknown origin)

Citation and Details

Article DOI: 10.1007/s00044-012-0256-y
BindingDB Entry DOI: 10.7270/Q20P12XT
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Homo sapiens (Human))		BDBM50488724
PNG
(CHEMBL2298875)
Show SMILES NS(=O)(=O)c1nnc(s1)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C10H6N4O4S2/c11-20(17,18)10-13-12-9(19-10)14-7(15)5-3-1-2-4-6(5)8(14)16/h1-4H,(H2,11,17,18)
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Article
 6.11E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to Nav 1.2 (unknown origin)

Citation and Details

Article DOI: 10.1007/s00044-012-0256-y
BindingDB Entry DOI: 10.7270/Q20P12XT
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Homo sapiens (Human))		BDBM50488720
PNG
(CHEMBL27783)
Show SMILES [O-][N+](=O)c1ccc(cc1)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C14H8N2O4/c17-13-11-3-1-2-4-12(11)14(18)15(13)9-5-7-10(8-6-9)16(19)20/h1-8H
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Article
 6.56E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to Nav 1.2 (unknown origin)

Citation and Details

Article DOI: 10.1007/s00044-012-0256-y
BindingDB Entry DOI: 10.7270/Q20P12XT
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Homo sapiens (Human))		BDBM50488717
PNG
(CHEMBL1972820)
Show SMILES OC(=O)c1ccc(cc1O)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C15H9NO5/c17-12-7-8(5-6-11(12)15(20)21)16-13(18)9-3-1-2-4-10(9)14(16)19/h1-7,17H,(H,20,21)
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Article
 7.84E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to Nav 1.2 (unknown origin)

Citation and Details

Article DOI: 10.1007/s00044-012-0256-y
BindingDB Entry DOI: 10.7270/Q20P12XT
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Homo sapiens (Human))		BDBM50488719
PNG
(CHEMBL2298876)
Show SMILES COc1ccc(N2C(=O)c3ccccc3C2=O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C15H10N2O5/c1-22-9-6-7-12(13(8-9)17(20)21)16-14(18)10-4-2-3-5-11(10)15(16)19/h2-8H,1H3
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Article
 1.08E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to Nav 1.2 (unknown origin)

Citation and Details

Article DOI: 10.1007/s00044-012-0256-y
BindingDB Entry DOI: 10.7270/Q20P12XT
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Homo sapiens (Human))		BDBM50488722
PNG
(CHEMBL97672)
Show SMILES [O-][N+](=O)c1ccccc1N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C14H8N2O4/c17-13-9-5-1-2-6-10(9)14(18)15(13)11-7-3-4-8-12(11)16(19)20/h1-8H
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Article
 1.34E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to Nav 1.2 (unknown origin)

Citation and Details

Article DOI: 10.1007/s00044-012-0256-y
BindingDB Entry DOI: 10.7270/Q20P12XT
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Homo sapiens (Human))		BDBM50488725
PNG
(N-Phthaloylanthranilic Acid)
Show SMILES OC(=O)c1ccccc1N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C15H9NO4/c17-13-9-5-1-2-6-10(9)14(18)16(13)12-8-4-3-7-11(12)15(19)20/h1-8H,(H,19,20)
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Article
 3.38E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to Nav 1.2 (unknown origin)

Citation and Details

Article DOI: 10.1007/s00044-012-0256-y
BindingDB Entry DOI: 10.7270/Q20P12XT
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(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=1S/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-/m0/s1
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n/an/a 0.00600n/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)


Article DOI: 10.1021/jm501981g
BindingDB Entry DOI: 10.7270/Q2XS5X6P
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


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


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


(Homo sapiens (Human))		BDBM50233223
PNG
(CHEMBL4060338)
Show SMILES CCCCCCCCCC[C@@H]1C[C@]2(CCCO2)NC(=N)N1 |r|
Show InChI InChI=1S/C17H33N3O/c1-2-3-4-5-6-7-8-9-11-15-14-17(12-10-13-21-17)20-16(18)19-15/h15H,2-14H2,1H3,(H3,18,19,20)/t15-,17-/m1/s1
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Tohoku University

Curated by ChEMBL


Assay Description
Antagonist activity at human Nav1.2 expressed in HEK293T cells assessed as inhibition of VTD-induced tail current by whole cell patch clamp method re...

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


Article DOI: 10.1016/j.bmcl.2017.01.054
BindingDB Entry DOI: 10.7270/Q2XG9TC3
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Homo sapiens (Human))		BDBM50233223
PNG
(CHEMBL4060338)
Show SMILES CCCCCCCCCC[C@@H]1C[C@]2(CCCO2)NC(=N)N1 |r|
Show InChI InChI=1S/C17H33N3O/c1-2-3-4-5-6-7-8-9-11-15-14-17(12-10-13-21-17)20-16(18)19-15/h15H,2-14H2,1H3,(H3,18,19,20)/t15-,17-/m1/s1
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Tohoku University

Curated by ChEMBL


Assay Description
Antagonist activity at human Nav1.2 expressed in HEK293T cells assessed as inhibition of VTD-induced sustained current by whole cell patch clamp meth...

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


Article DOI: 10.1016/j.bmcl.2017.01.054
BindingDB Entry DOI: 10.7270/Q2XG9TC3
More data for this
Ligand-Target Pair
Sodium channel protein type 2 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 1n/an/an/an/an/an/a



SiteOne Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.2 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 2 subunit alpha


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



Citation and Details
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Homo sapiens (Human))		BDBM50233224
PNG
(CHEMBL4070670)
Show SMILES CCCCCCCCCC[C@H]1C[C@@]2(CCCO2)NC(=N)N1 |r|
Show InChI InChI=1S/C17H33N3O/c1-2-3-4-5-6-7-8-9-11-15-14-17(12-10-13-21-17)20-16(18)19-15/h15H,2-14H2,1H3,(H3,18,19,20)/t15-,17-/m0/s1
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Tohoku University

Curated by ChEMBL


Assay Description
Antagonist activity at human Nav1.2 expressed in HEK293T cells assessed as inhibition of VTD-induced tail current by whole cell patch clamp method re...

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


Article DOI: 10.1016/j.bmcl.2017.01.054
BindingDB Entry DOI: 10.7270/Q2XG9TC3
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


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

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.2 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 2 subunit alpha


(Homo sapiens (Human))		BDBM50233224
PNG
(CHEMBL4070670)
Show SMILES CCCCCCCCCC[C@H]1C[C@@]2(CCCO2)NC(=N)N1 |r|
Show InChI InChI=1S/C17H33N3O/c1-2-3-4-5-6-7-8-9-11-15-14-17(12-10-13-21-17)20-16(18)19-15/h15H,2-14H2,1H3,(H3,18,19,20)/t15-,17-/m0/s1
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Tohoku University

Curated by ChEMBL


Assay Description
Antagonist activity at human Nav1.2 expressed in HEK293T cells assessed as inhibition of VTD-induced sustained current by whole cell patch clamp meth...

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


Article DOI: 10.1016/j.bmcl.2017.01.054
BindingDB Entry DOI: 10.7270/Q2XG9TC3
More data for this
Ligand-Target Pair
Sodium channel protein type 2 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 2.5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.2 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 2 subunit alpha


(Rattus norvegicus)		BDBM50051090
PNG
(CHEMBL3318149)
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)OC)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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Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Inhibition of rat Nav1.7 expressed in HEK-293 cells at -130 to -110 mV holding potential by whole-cell voltage clamp analysis

J Med Chem 57: 6623-31 (2014)


Article DOI: 10.1021/jm500687u
BindingDB Entry DOI: 10.7270/Q22B90P2
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


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

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.2 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 2 subunit alpha


(Rattus norvegicus)		BDBM50051091
PNG
(CHEMBL3318150)
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)Nc1ccccc1)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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Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Inhibition of rat Nav1.7 expressed in HEK-293 cells at -130 to -110 mV holding potential by whole-cell voltage clamp analysis

J Med Chem 57: 6623-31 (2014)


Article DOI: 10.1021/jm500687u
BindingDB Entry DOI: 10.7270/Q22B90P2
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Rattus norvegicus)		BDBM50051089
PNG
(CHEMBL3318148)
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)NC)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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Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Inhibition of rat Nav1.7 expressed in HEK-293 cells at -130 to -110 mV holding potential by whole-cell voltage clamp analysis

J Med Chem 57: 6623-31 (2014)


Article DOI: 10.1021/jm500687u
BindingDB Entry DOI: 10.7270/Q22B90P2
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Rattus norvegicus)		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 4n/an/an/an/an/an/a



Cambridge NeuroScience Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of [14C]- guanidinium influx in Chinese hamster ovary (CHO) cells expressing rat brain sodium channel type IIA (CNaIIA-1)

J Med Chem 41: 3048-61 (1998)


Article DOI: 10.1021/jm980124a
BindingDB Entry DOI: 10.7270/Q2R49RF5
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(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)


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


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



Citation and Details
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


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

Curated by ChEMBL


Assay Description
Inhibition of inactivated state of recombinant human NaV1.2 expressed in HEK293 cell membranes coexpressing Nav beta1 subunit assessed as decrease in...

J Med Chem 61: 4810-4831 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01826
BindingDB Entry DOI: 10.7270/Q2BV7K92
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Homo sapiens (Human))		BDBM50233222
PNG
(CHEMBL4082248)
Show SMILES CCCCCCCCCC[C@@H]1NC(=N)N[C@]2(CCCO2)[C@@H]1C(O)=O |r|
Show InChI InChI=1S/C18H33N3O3/c1-2-3-4-5-6-7-8-9-11-14-15(16(22)23)18(12-10-13-24-18)21-17(19)20-14/h14-15H,2-13H2,1H3,(H,22,23)(H3,19,20,21)/t14-,15-,18-/m0/s1
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n/an/a 7.5n/an/an/an/an/an/a



Tohoku University

Curated by ChEMBL


Assay Description
Antagonist activity at human Nav1.2 expressed in HEK293T cells assessed as inhibition of VTD-induced sustained current by whole cell patch clamp meth...

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


Article DOI: 10.1016/j.bmcl.2017.01.054
BindingDB Entry DOI: 10.7270/Q2XG9TC3
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Rattus norvegicus)		BDBM50051075
PNG
(CHEMBL3318134)
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](C)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 8n/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Inhibition of rat Nav1.7 expressed in HEK-293 cells at -130 to -110 mV holding potential by whole-cell voltage clamp analysis

J Med Chem 57: 6623-31 (2014)


Article DOI: 10.1021/jm500687u
BindingDB Entry DOI: 10.7270/Q22B90P2
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Rattus norvegicus)		BDBM50051088
PNG
(CHEMBL3318147)
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(N)=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 8n/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Inhibition of rat Nav1.7 expressed in HEK-293 cells at -130 to -110 mV holding potential by whole-cell voltage clamp analysis

J Med Chem 57: 6623-31 (2014)


Article DOI: 10.1021/jm500687u
BindingDB Entry DOI: 10.7270/Q22B90P2
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


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



Xenon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of inactivated state of recombinant human NaV1.2 expressed in HEK293 cell membranes coexpressing Nav beta1 subunit assessed as decrease in...

J Med Chem 61: 4810-4831 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01826
BindingDB Entry DOI: 10.7270/Q2BV7K92
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Homo sapiens (Human))		BDBM50568138
PNG
(CHEMBL4854735)
Show SMILES Fc1cccc(NS(=O)(=O)c2cc(F)c(O[C@H]3CCN(CC(F)(F)F)C[C@@H]3c3ccc(F)c(F)c3)c(F)c2)n1 |r|
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n/an/a 12n/an/an/an/an/an/a


TBA

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

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128133
BindingDB Entry DOI: 10.7270/Q2CJ8J7B
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Rattus norvegicus)		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 14n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of Na+ influx in chinese hamster ovary cells expressing rat brain sodium channel type IIA

J Med Chem 37: 268-74 (1994)


BindingDB Entry DOI: 10.7270/Q2CJ8F39
More data for this
Ligand-Target Pair
Sodium channel protein type 2 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 14n/an/an/an/an/an/a



SiteOne Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.2 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 2 subunit alpha


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



Xenon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of inactivated state of recombinant human NaV1.2 expressed in HEK293 cell membranes coexpressing Nav beta1 subunit assessed as decrease in...

J Med Chem 61: 4810-4831 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01826
BindingDB Entry DOI: 10.7270/Q2BV7K92
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


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


TBA

Assay Description
Inhibition of full length human Nav1.2 expressed in HEK cells by whole cell voltage clamp analysis

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00049
BindingDB Entry DOI: 10.7270/Q2WW7NKS
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


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



SiteOne Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.2 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 2 subunit alpha


(Rattus norvegicus)		BDBM50051077
PNG
(CHEMBL3318136)
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](C)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](CC(C)C)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 24n/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Inhibition of rat Nav1.7 expressed in HEK-293 cells at -130 to -110 mV holding potential by whole-cell voltage clamp analysis

J Med Chem 57: 6623-31 (2014)


Article DOI: 10.1021/jm500687u
BindingDB Entry DOI: 10.7270/Q22B90P2
More data for this
Ligand-Target Pair
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