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Compile Data Set for Download or QSAR

Found 21 hits Enz. Inhib. hit(s) with all data for entry = 50036274   
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)
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


(Rattus norvegicus)
BDBM50017702
PNG
(1-(bis(4-fluorophenyl)methyl)-4-cinnamylpiperazine...)
Show SMILES Fc1ccc(cc1)C(N1CCN(C\C=C\c2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C26H26F2N2/c27-24-12-8-22(9-13-24)26(23-10-14-25(28)15-11-23)30-19-17-29(18-20-30)16-4-7-21-5-2-1-3-6-21/h1-15,26H,16-20H2/b7-4+
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n/an/a 420n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of veratridine-induced Na+ influx in chinese hamster ovary cells expressing alpha subunit of rat brain type voltage-gated sodium channel t...


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


(Rattus norvegicus)
BDBM23619
PNG
(2-{4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl}...)
Show SMILES Cc1cccc(C)c1NC(=O)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C30H35F2N3O/c1-22-5-3-6-23(2)30(22)33-29(36)21-35-19-17-34(18-20-35)16-4-7-28(24-8-12-26(31)13-9-24)25-10-14-27(32)15-11-25/h3,5-6,8-15,28H,4,7,16-21H2,1-2H3,(H,33,36)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of veratridine-induced Na+ influx in chinese hamster ovary cells expressing alpha subunit of rat brain type voltage-gated sodium channel t...


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


(Rattus norvegicus)
BDBM50043993
PNG
(CHEMBL282833 | N-[3-(2,6-Dimethyl-piperidin-1-yl)-...)
Show SMILES CC1CCCC(C)N1CCCNC(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H32N2O/c1-19-11-9-12-20(2)26(19)18-10-17-25-24(27)23(21-13-5-3-6-14-21)22-15-7-4-8-16-22/h3-8,13-16,19-20,23H,9-12,17-18H2,1-2H3,(H,25,27)
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n/an/a 2.70E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of veratridine-induced Na+ influx in chinese hamster ovary cells expressing alpha subunit of rat brain type voltage-gated sodium channel t...


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


(Rattus norvegicus)
BDBM50044001
PNG
(CHEMBL93106 | N-[3-(2,6-Dimethyl-piperidin-1-yl)-p...)
Show SMILES COc1ccc(cc1)C(C(=O)NCCCN1C(C)CCCC1C)c1ccc(OC)cc1
Show InChI InChI=1S/C26H36N2O3/c1-19-7-5-8-20(2)28(19)18-6-17-27-26(29)25(21-9-13-23(30-3)14-10-21)22-11-15-24(31-4)16-12-22/h9-16,19-20,25H,5-8,17-18H2,1-4H3,(H,27,29)
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n/an/a 3.10E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of veratridine-induced Na+ influx in chinese hamster ovary cells expressing alpha subunit of rat brain type voltage-gated sodium channel t...


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


(Rattus norvegicus)
BDBM50043984
PNG
(2,2-Bis-(2-chloro-phenyl)-N-[3-(2,6-dimethyl-piper...)
Show SMILES CC1CCCC(C)N1CCCNC(=O)C(c1ccccc1Cl)c1ccccc1Cl
Show InChI InChI=1S/C24H30Cl2N2O/c1-17-9-7-10-18(2)28(17)16-8-15-27-24(29)23(19-11-3-5-13-21(19)25)20-12-4-6-14-22(20)26/h3-6,11-14,17-18,23H,7-10,15-16H2,1-2H3,(H,27,29)
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n/an/a 3.50E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of veratridine-induced Na+ influx in chinese hamster ovary cells expressing alpha subunit of rat brain type voltage-gated sodium channel t...


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


(Rattus norvegicus)
BDBM50043992
PNG
(1-[3-(2,6-Dimethyl-piperidin-1-yl)-propyl]-3,3-dip...)
Show SMILES CC1CCCC(C)N1CCCN1C(=O)CC(C1=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H32N2O2/c1-20-11-9-12-21(2)27(20)17-10-18-28-24(29)19-26(25(28)30,22-13-5-3-6-14-22)23-15-7-4-8-16-23/h3-8,13-16,20-21H,9-12,17-19H2,1-2H3
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n/an/a 3.60E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of veratridine-induced Na+ influx in chinese hamster ovary cells expressing alpha subunit of rat brain type voltage-gated sodium channel t...


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


(Rattus norvegicus)
BDBM50043990
PNG
(1-Phenyl-cyclohexanecarboxylic acid [3-(2,6-dimeth...)
Show SMILES CC1CCCC(C)N1CCCNC(=O)C1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C23H36N2O/c1-19-11-9-12-20(2)25(19)18-10-17-24-22(26)23(15-7-4-8-16-23)21-13-5-3-6-14-21/h3,5-6,13-14,19-20H,4,7-12,15-18H2,1-2H3,(H,24,26)
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n/an/a 4.30E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of veratridine-induced Na+ influx in chinese hamster ovary cells expressing alpha subunit of rat brain type voltage-gated sodium channel t...


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


(Rattus norvegicus)
BDBM50043998
PNG
(2,2-Bis-(4-chloro-phenyl)-N-[3-(2,6-dimethyl-piper...)
Show SMILES CC1CCCC(C)N1CCCNC(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H30Cl2N2O/c1-17-5-3-6-18(2)28(17)16-4-15-27-24(29)23(19-7-11-21(25)12-8-19)20-9-13-22(26)14-10-20/h7-14,17-18,23H,3-6,15-16H2,1-2H3,(H,27,29)
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n/an/a 4.50E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of veratridine-induced Na+ influx in chinese hamster ovary cells expressing alpha subunit of rat brain type voltage-gated sodium channel t...


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


(Rattus norvegicus)
BDBM50044000
PNG
(2,2-Bis-(4-bromo-phenyl)-N-[3-(2,6-dimethyl-piperi...)
Show SMILES CC1CCCC(C)N1CCCNC(=O)C(c1ccc(Br)cc1)c1ccc(Br)cc1
Show InChI InChI=1S/C24H30Br2N2O/c1-17-5-3-6-18(2)28(17)16-4-15-27-24(29)23(19-7-11-21(25)12-8-19)20-9-13-22(26)14-10-20/h7-14,17-18,23H,3-6,15-16H2,1-2H3,(H,27,29)
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n/an/a 5.70E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of veratridine-induced Na+ influx in chinese hamster ovary cells expressing alpha subunit of rat brain type voltage-gated sodium channel t...


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


(Rattus norvegicus)
BDBM50043995
PNG
(CHEMBL92071 | N-[3-(2,6-Dimethyl-piperidin-1-yl)-p...)
Show SMILES CC1CCCC(C)N1CCCNC(=O)C(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C24H30F2N2O/c1-17-5-3-6-18(2)28(17)16-4-15-27-24(29)23(19-7-11-21(25)12-8-19)20-9-13-22(26)14-10-20/h7-14,17-18,23H,3-6,15-16H2,1-2H3,(H,27,29)
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n/an/a 5.80E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of veratridine-induced Na+ influx in chinese hamster ovary cells expressing alpha subunit of rat brain type voltage-gated sodium channel t...


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


(Rattus norvegicus)
BDBM50043994
PNG
(CHEMBL92918 | N-[3-(2,6-Dimethyl-piperidin-1-yl)-p...)
Show SMILES CC1CCCC(C)N1CCCNC(=O)C(c1ccc(C)cc1)c1ccc(C)cc1
Show InChI InChI=1S/C26H36N2O/c1-19-9-13-23(14-10-19)25(24-15-11-20(2)12-16-24)26(29)27-17-6-18-28-21(3)7-5-8-22(28)4/h9-16,21-22,25H,5-8,17-18H2,1-4H3,(H,27,29)
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n/an/a 7.50E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of veratridine-induced Na+ influx in chinese hamster ovary cells expressing alpha subunit of rat brain type voltage-gated sodium channel t...


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


(Rattus norvegicus)
BDBM50043991
PNG
(2-Cyclopentyl-N-[3-(2,6-dimethyl-piperidin-1-yl)-p...)
Show SMILES CC1CCCC(C)N1CCCNC(=O)C(C1CCCC1)c1ccccc1
Show InChI InChI=1S/C23H36N2O/c1-18-10-8-11-19(2)25(18)17-9-16-24-23(26)22(21-14-6-7-15-21)20-12-4-3-5-13-20/h3-5,12-13,18-19,21-22H,6-11,14-17H2,1-2H3,(H,24,26)
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n/an/a 1.20E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of veratridine-induced Na+ influx in chinese hamster ovary cells expressing alpha subunit of rat brain type voltage-gated sodium channel t...


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


(Rattus norvegicus)
BDBM50043997
PNG
(9H-Xanthene-9-carboxylic acid [3-(2,6-dimethyl-pip...)
Show SMILES CC1CCCC(C)N1CCCNC(=O)C1c2ccccc2Oc2ccccc12
Show InChI InChI=1S/C24H30N2O2/c1-17-9-7-10-18(2)26(17)16-8-15-25-24(27)23-19-11-3-5-13-21(19)28-22-14-6-4-12-20(22)23/h3-6,11-14,17-18,23H,7-10,15-16H2,1-2H3,(H,25,27)
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n/an/a 1.30E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of veratridine-induced Na+ influx in chinese hamster ovary cells expressing alpha subunit of rat brain type voltage-gated sodium channel t...


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


(Rattus norvegicus)
BDBM50043986
PNG
(CHEMBL329245 | N-[3-(2,6-Dimethyl-piperidin-1-yl)-...)
Show SMILES COc1ccc(C(C(=O)NCCCN2C(C)CCCC2C)c2ccc(OC)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C34H40N2O3/c1-23-11-9-12-24(2)36(23)22-10-21-35-34(37)33(29-17-19-31(38-3)27-15-7-5-13-25(27)29)30-18-20-32(39-4)28-16-8-6-14-26(28)30/h5-8,13-20,23-24,33H,9-12,21-22H2,1-4H3,(H,35,37)
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n/an/a 1.30E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of veratridine-induced Na+ influx in chinese hamster ovary cells expressing alpha subunit of rat brain type voltage-gated sodium channel t...


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


(Rattus norvegicus)
BDBM50043996
PNG
(9H-Fluorene-9-carboxylic acid [3-(2,6-dimethyl-pip...)
Show SMILES CC1CCCC(C)N1CCCNC(=O)C1c2ccccc2-c2ccccc12
Show InChI InChI=1S/C24H30N2O/c1-17-9-7-10-18(2)26(17)16-8-15-25-24(27)23-21-13-5-3-11-19(21)20-12-4-6-14-22(20)23/h3-6,11-14,17-18,23H,7-10,15-16H2,1-2H3,(H,25,27)
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n/an/a 2.90E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of veratridine-induced Na+ influx in chinese hamster ovary cells expressing alpha subunit of rat brain type voltage-gated sodium channel t...


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


(Rattus norvegicus)
BDBM50043999
PNG
(CHEMBL93838 | N-[3-(2,6-Dimethyl-piperidin-1-yl)-p...)
Show SMILES CC1CCCC(C)N1CCCNC(=O)C(C)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H34N2O/c1-20-12-10-13-21(2)27(20)19-11-18-26-24(28)25(3,22-14-6-4-7-15-22)23-16-8-5-9-17-23/h4-9,14-17,20-21H,10-13,18-19H2,1-3H3,(H,26,28)
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n/an/a 3.20E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of veratridine-induced Na+ influx in chinese hamster ovary cells expressing alpha subunit of rat brain type voltage-gated sodium channel t...


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


(Rattus norvegicus)
BDBM50043987
PNG
(3-(3-Dimethylamino-propyl)-5,5-diphenyl-imidazolid...)
Show SMILES CN(C)CCCN1C(=O)NC(C1=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H23N3O2/c1-22(2)14-9-15-23-18(24)20(21-19(23)25,16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-8,10-13H,9,14-15H2,1-2H3,(H,21,25)
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n/an/a 7.20E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of veratridine-induced Na+ influx in chinese hamster ovary cells expressing alpha subunit of rat brain type voltage-gated sodium channel t...


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


(Rattus norvegicus)
BDBM50043989
PNG
(CHEMBL93271 | N-[3-(2,6-Dimethyl-piperidin-1-yl)-p...)
Show SMILES CC1CCCC(C)N1CCCNC(=O)Cc1cccc2ccccc12
Show InChI InChI=1S/C22H30N2O/c1-17-8-5-9-18(2)24(17)15-7-14-23-22(25)16-20-12-6-11-19-10-3-4-13-21(19)20/h3-4,6,10-13,17-18H,5,7-9,14-16H2,1-2H3,(H,23,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of veratridine-induced Na+ influx in chinese hamster ovary cells expressing alpha subunit of rat brain type voltage-gated sodium channel t...


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


(Rattus norvegicus)
BDBM50043985
PNG
(CHEMBL93065 | N-[3-(2,6-Dimethyl-piperidin-1-yl)-p...)
Show SMILES CC1CCCC(C)N1CCCNC(=O)Cc1ccccc1
Show InChI InChI=1S/C18H28N2O/c1-15-8-6-9-16(2)20(15)13-7-12-19-18(21)14-17-10-4-3-5-11-17/h3-5,10-11,15-16H,6-9,12-14H2,1-2H3,(H,19,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of veratridine-induced Na+ influx in chinese hamster ovary cells expressing alpha subunit of rat brain type voltage-gated sodium channel t...


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


(Rattus norvegicus)
BDBM50043988
PNG
(3-[3-(2,6-Dimethyl-piperidin-1-yl)-propyl]-1,1-dip...)
Show SMILES CC1CCCC(C)N1CCCNC(=O)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H31N3O/c1-19-11-9-12-20(2)25(19)18-10-17-24-23(27)26(21-13-5-3-6-14-21)22-15-7-4-8-16-22/h3-8,13-16,19-20H,9-12,17-18H2,1-2H3,(H,24,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.06E+5n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of veratridine-induced Na+ influx in chinese hamster ovary cells expressing alpha subunit of rat brain type voltage-gated sodium channel t...


J Med Chem 37: 268-74 (1994)


BindingDB Entry DOI: 10.7270/Q2CJ8F39
More data for this
Ligand-Target Pair