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PubMed code 10229624

Compile data set for download or QSAR
Found 25 hits of Enzyme Inhibition Constant Data   
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 1/2/3 subunit alpha


(Rattus norvegicus)
BDBM50472563
PNG
(CHEMBL417155)
Show SMILES CCCCCCCC1(NC(=O)NC1=O)c1ccccc1
Show InChI InChI=1S/C16H22N2O2/c1-2-3-4-5-9-12-16(13-10-7-6-8-11-13)14(19)17-15(20)18-16/h6-8,10-11H,2-5,9,12H2,1H3,(H2,17,18,19,20)
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
In vitro inhibition of Voltage-gated sodium channel by the displacement of [3H]batrachotoxin A 20-alpha-benzoate in rat brain cerebral cortex synapto...


J Med Chem 42: 1537-45 (1999)


Article DOI: 10.1021/jm980556l
BindingDB Entry DOI: 10.7270/Q2RJ4N61
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(Rattus norvegicus)
BDBM50472561
PNG
(CHEMBL39043)
Show SMILES CCCCCCCCCC1(NC(=O)NC1=O)c1ccccc1
Show InChI InChI=1S/C18H26N2O2/c1-2-3-4-5-6-7-11-14-18(15-12-9-8-10-13-15)16(21)19-17(22)20-18/h8-10,12-13H,2-7,11,14H2,1H3,(H2,19,20,21,22)
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
In vitro inhibition of Voltage-gated sodium channel by the displacement of [3H]batrachotoxin A 20-alpha-benzoate in rat brain cerebral cortex synapto...


J Med Chem 42: 1537-45 (1999)


Article DOI: 10.1021/jm980556l
BindingDB Entry DOI: 10.7270/Q2RJ4N61
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(Rattus norvegicus)
BDBM50472564
PNG
(CHEMBL287713)
Show SMILES CCCCCCCC(O)(C(N)=O)c1ccccc1
Show InChI InChI=1S/C15H23NO2/c1-2-3-4-5-9-12-15(18,14(16)17)13-10-7-6-8-11-13/h6-8,10-11,18H,2-5,9,12H2,1H3,(H2,16,17)
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n/an/a 9.00E+3n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
In vitro inhibition of Voltage-gated sodium channel by the displacement of [3H]batrachotoxin A 20-alpha-benzoate in rat brain cerebral cortex synapto...


J Med Chem 42: 1537-45 (1999)


Article DOI: 10.1021/jm980556l
BindingDB Entry DOI: 10.7270/Q2RJ4N61
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(Rattus norvegicus)
BDBM50472565
PNG
(CHEMBL289499)
Show SMILES CCCCCCC1(NC(=O)NC1=O)c1ccccc1
Show InChI InChI=1S/C15H20N2O2/c1-2-3-4-8-11-15(12-9-6-5-7-10-12)13(18)16-14(19)17-15/h5-7,9-10H,2-4,8,11H2,1H3,(H2,16,17,18,19)
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n/an/a 1.30E+4n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
In vitro inhibition of Voltage-gated sodium channel by the displacement of [3H]batrachotoxin A 20-alpha-benzoate in rat brain cerebral cortex synapto...


J Med Chem 42: 1537-45 (1999)


Article DOI: 10.1021/jm980556l
BindingDB Entry DOI: 10.7270/Q2RJ4N61
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(Rattus norvegicus)
BDBM50470016
PNG
(CHEMBL288505)
Show SMILES CCCCCC1(NC(=O)NC1=O)c1ccccc1
Show InChI InChI=1S/C14H18N2O2/c1-2-3-7-10-14(11-8-5-4-6-9-11)12(17)15-13(18)16-14/h4-6,8-9H,2-3,7,10H2,1H3,(H2,15,16,17,18)
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n/an/a 3.90E+4n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
In vitro inhibition of Voltage-gated sodium channel by the displacement of [3H]batrachotoxin A 20-alpha-benzoate in rat brain cerebral cortex synapto...


J Med Chem 42: 1537-45 (1999)


Article DOI: 10.1021/jm980556l
BindingDB Entry DOI: 10.7270/Q2RJ4N61
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(Rattus norvegicus)
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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n/an/a 4.00E+4n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
In vitro inhibition of Voltage-gated sodium channel by the displacement of [3H]batrachotoxin A 20-alpha-benzoate in rat brain cerebral cortex synapto...


J Med Chem 42: 1537-45 (1999)


Article DOI: 10.1021/jm980556l
BindingDB Entry DOI: 10.7270/Q2RJ4N61
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(Rattus norvegicus)
BDBM50472562
PNG
(CHEMBL39326)
Show SMILES O=C1NC(=O)C(N1)(C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C15H18N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2,(H2,16,17,18,19)
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n/an/a 5.80E+4n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
In vitro inhibition of Voltage-gated sodium channel by the displacement of [3H]batrachotoxin A 20-alpha-benzoate in rat brain cerebral cortex synapto...


J Med Chem 42: 1537-45 (1999)


Article DOI: 10.1021/jm980556l
BindingDB Entry DOI: 10.7270/Q2RJ4N61
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(Rattus norvegicus)
BDBM50471519
PNG
(CHEMBL39889)
Show SMILES CCCCC1(NC(=O)NC1=O)c1cccc(C)c1
Show InChI InChI=1S/C14H18N2O2/c1-3-4-8-14(12(17)15-13(18)16-14)11-7-5-6-10(2)9-11/h5-7,9H,3-4,8H2,1-2H3,(H2,15,16,17,18)
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University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
In vitro inhibition of Voltage-gated sodium channel by the displacement of [3H]batrachotoxin A 20-alpha-benzoate in rat brain cerebral cortex synapto...


J Med Chem 42: 1537-45 (1999)


Article DOI: 10.1021/jm980556l
BindingDB Entry DOI: 10.7270/Q2RJ4N61
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(Rattus norvegicus)
BDBM50471517
PNG
(CHEMBL39247)
Show SMILES CCCCC1(NC(=O)NC1=O)c1ccc(C)cc1
Show InChI InChI=1S/C14H18N2O2/c1-3-4-9-14(12(17)15-13(18)16-14)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H2,15,16,17,18)
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n/an/a 9.50E+4n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
In vitro inhibition of Voltage-gated sodium channel by the displacement of [3H]batrachotoxin A 20-alpha-benzoate in rat brain cerebral cortex synapto...


J Med Chem 42: 1537-45 (1999)


Article DOI: 10.1021/jm980556l
BindingDB Entry DOI: 10.7270/Q2RJ4N61
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(Rattus norvegicus)
BDBM50470014
PNG
(CHEMBL39010)
Show SMILES CCCCC1(NC(=O)NC1=O)c1ccccc1
Show InChI InChI=1S/C13H16N2O2/c1-2-3-9-13(10-7-5-4-6-8-10)11(16)14-12(17)15-13/h4-8H,2-3,9H2,1H3,(H2,14,15,16,17)
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n/an/a 1.03E+5n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
In vitro inhibition of Voltage-gated sodium channel by the displacement of [3H]batrachotoxin A 20-alpha-benzoate in rat brain cerebral cortex synapto...


J Med Chem 42: 1537-45 (1999)


Article DOI: 10.1021/jm980556l
BindingDB Entry DOI: 10.7270/Q2RJ4N61
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(Rattus norvegicus)
BDBM50003659
PNG
(5H-dibenzo[b,f]azepine-5-carboxamide | CARBAMAZEPI...)
Show SMILES NC(=O)N1c2ccccc2C=Cc2ccccc12 |c:11|
Show InChI InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18)
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n/an/a 1.31E+5n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
In vitro inhibition of Voltage-gated sodium channel by the displacement of [3H]batrachotoxin A 20-alpha-benzoate in rat brain cerebral cortex synapto...


J Med Chem 42: 1537-45 (1999)


Article DOI: 10.1021/jm980556l
BindingDB Entry DOI: 10.7270/Q2RJ4N61
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(Rattus norvegicus)
BDBM50470011
PNG
(CHEMBL288861)
Show SMILES CCCC1(NC(=O)NC1=O)c1ccccc1
Show InChI InChI=1S/C12H14N2O2/c1-2-8-12(9-6-4-3-5-7-9)10(15)13-11(16)14-12/h3-7H,2,8H2,1H3,(H2,13,14,15,16)
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n/an/a 1.62E+5n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
In vitro inhibition of Voltage-gated sodium channel by the displacement of [3H]batrachotoxin A 20-alpha-benzoate in rat brain cerebral cortex synapto...


J Med Chem 42: 1537-45 (1999)


Article DOI: 10.1021/jm980556l
BindingDB Entry DOI: 10.7270/Q2RJ4N61
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(Rattus norvegicus)
BDBM50471514
PNG
(CHEMBL38760)
Show SMILES CCCCC1(NC(=O)NC1=O)c1ccccc1C
Show InChI InChI=1S/C14H18N2O2/c1-3-4-9-14(12(17)15-13(18)16-14)11-8-6-5-7-10(11)2/h5-8H,3-4,9H2,1-2H3,(H2,15,16,17,18)
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n/an/a 2.25E+5n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
In vitro inhibition of Voltage-gated sodium channel by the displacement of [3H]batrachotoxin A 20-alpha-benzoate in rat brain cerebral cortex synapto...


J Med Chem 42: 1537-45 (1999)


Article DOI: 10.1021/jm980556l
BindingDB Entry DOI: 10.7270/Q2RJ4N61
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(Rattus norvegicus)
BDBM50471514
PNG
(CHEMBL38760)
Show SMILES CCCCC1(NC(=O)NC1=O)c1ccccc1C
Show InChI InChI=1S/C14H18N2O2/c1-3-4-9-14(12(17)15-13(18)16-14)11-8-6-5-7-10(11)2/h5-8H,3-4,9H2,1-2H3,(H2,15,16,17,18)
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n/an/a 2.25E+5n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
In vitro inhibition of Voltage-gated sodium channel by the displacement of [3H]batrachotoxin A 20-alpha-benzoate in rat brain cerebral cortex synapto...


J Med Chem 42: 1537-45 (1999)


Article DOI: 10.1021/jm980556l
BindingDB Entry DOI: 10.7270/Q2RJ4N61
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(Rattus norvegicus)
BDBM50471518
PNG
(CHEMBL290743)
Show SMILES CC12N(CCc3ccccc13)C(=O)NC2=O
Show InChI InChI=1S/C12H12N2O2/c1-12-9-5-3-2-4-8(9)6-7-14(12)11(16)13-10(12)15/h2-5H,6-7H2,1H3,(H,13,15,16)
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n/an/a 2.50E+5n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
In vitro inhibition of Voltage-gated sodium channel by the displacement of [3H]batrachotoxin A 20-alpha-benzoate in rat brain cerebral cortex synapto...


J Med Chem 42: 1537-45 (1999)


Article DOI: 10.1021/jm980556l
BindingDB Entry DOI: 10.7270/Q2RJ4N61
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(Rattus norvegicus)
BDBM50471515
PNG
(CHEMBL290090)
Show SMILES O=C1NC(=O)C2(CCCCCc3ccccc23)N1
Show InChI InChI=1S/C14H16N2O2/c17-12-14(16-13(18)15-12)9-5-1-2-6-10-7-3-4-8-11(10)14/h3-4,7-8H,1-2,5-6,9H2,(H2,15,16,17,18)
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n/an/a 2.51E+5n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
In vitro inhibition of Voltage-gated sodium channel by the displacement of [3H]batrachotoxin A 20-alpha-benzoate in rat brain cerebral cortex synapto...


J Med Chem 42: 1537-45 (1999)


Article DOI: 10.1021/jm980556l
BindingDB Entry DOI: 10.7270/Q2RJ4N61
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(Rattus norvegicus)
BDBM50022495
PNG
(6,7,8,9-tetrahydro-2'H,5'H-spiro[benzo[7]annulene-...)
Show SMILES O=C1NC(=O)C2(CCCCc3ccccc23)N1
Show InChI InChI=1S/C13H14N2O2/c16-11-13(15-12(17)14-11)8-4-3-6-9-5-1-2-7-10(9)13/h1-2,5,7H,3-4,6,8H2,(H2,14,15,16,17)
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n/an/a 2.51E+5n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
In vitro inhibition of Voltage-gated sodium channel by the displacement of [3H]batrachotoxin A 20-alpha-benzoate in rat brain cerebral cortex synapto...


J Med Chem 42: 1537-45 (1999)


Article DOI: 10.1021/jm980556l
BindingDB Entry DOI: 10.7270/Q2RJ4N61
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(Rattus norvegicus)
BDBM50470013
PNG
(CHEMBL39810)
Show SMILES CCCCC1(NC(=O)N(C)C1=O)c1ccccc1
Show InChI InChI=1S/C14H18N2O2/c1-3-4-10-14(11-8-6-5-7-9-11)12(17)16(2)13(18)15-14/h5-9H,3-4,10H2,1-2H3,(H,15,18)
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n/an/a 2.85E+5n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
In vitro inhibition of Voltage-gated sodium channel by the displacement of [3H]batrachotoxin A 20-alpha-benzoate in rat brain cerebral cortex synapto...


J Med Chem 42: 1537-45 (1999)


Article DOI: 10.1021/jm980556l
BindingDB Entry DOI: 10.7270/Q2RJ4N61
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(Rattus norvegicus)
BDBM50470015
PNG
(CHEMBL39126)
Show SMILES O=C1NC2(CCCCCN1C2=O)c1ccccc1 |THB:11:10:1.2:8.4.7.5.6|
Show InChI InChI=1S/C14H16N2O2/c17-12-14(11-7-3-1-4-8-11)9-5-2-6-10-16(12)13(18)15-14/h1,3-4,7-8H,2,5-6,9-10H2,(H,15,18)
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n/an/a 4.27E+5n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
In vitro inhibition of Voltage-gated sodium channel by the displacement of [3H]batrachotoxin A 20-alpha-benzoate in rat brain cerebral cortex synapto...


J Med Chem 42: 1537-45 (1999)


Article DOI: 10.1021/jm980556l
BindingDB Entry DOI: 10.7270/Q2RJ4N61
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(Rattus norvegicus)
BDBM50470015
PNG
(CHEMBL39126)
Show SMILES O=C1NC2(CCCCCN1C2=O)c1ccccc1 |THB:11:10:1.2:8.4.7.5.6|
Show InChI InChI=1S/C14H16N2O2/c17-12-14(11-7-3-1-4-8-11)9-5-2-6-10-16(12)13(18)15-14/h1,3-4,7-8H,2,5-6,9-10H2,(H,15,18)
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n/an/a 4.27E+5n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
In vitro inhibition of Voltage-gated sodium channel by the displacement of [3H]batrachotoxin A 20-alpha-benzoate in rat brain cerebral cortex synapto...


J Med Chem 42: 1537-45 (1999)


Article DOI: 10.1021/jm980556l
BindingDB Entry DOI: 10.7270/Q2RJ4N61
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(Rattus norvegicus)
BDBM50470012
PNG
(CHEMBL38675)
Show SMILES O=C1NC2(CCCCN1C2=O)c1ccccc1 |THB:10:9:1.2:7.4.6.5|
Show InChI InChI=1S/C13H14N2O2/c16-11-13(10-6-2-1-3-7-10)8-4-5-9-15(11)12(17)14-13/h1-3,6-7H,4-5,8-9H2,(H,14,17)
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n/an/a 7.00E+5n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
In vitro inhibition of Voltage-gated sodium channel by the displacement of [3H]batrachotoxin A 20-alpha-benzoate in rat brain cerebral cortex synapto...


J Med Chem 42: 1537-45 (1999)


Article DOI: 10.1021/jm980556l
BindingDB Entry DOI: 10.7270/Q2RJ4N61
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(Rattus norvegicus)
BDBM50470012
PNG
(CHEMBL38675)
Show SMILES O=C1NC2(CCCCN1C2=O)c1ccccc1 |THB:10:9:1.2:7.4.6.5|
Show InChI InChI=1S/C13H14N2O2/c16-11-13(10-6-2-1-3-7-10)8-4-5-9-15(11)12(17)14-13/h1-3,6-7H,4-5,8-9H2,(H,14,17)
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n/an/a 7.00E+5n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
In vitro inhibition of Voltage-gated sodium channel by the displacement of [3H]batrachotoxin A 20-alpha-benzoate in rat brain cerebral cortex synapto...


J Med Chem 42: 1537-45 (1999)


Article DOI: 10.1021/jm980556l
BindingDB Entry DOI: 10.7270/Q2RJ4N61
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(Rattus norvegicus)
BDBM50471516
PNG
(CHEMBL38588)
Show SMILES CCN1C(=O)NC(=O)C1(C)c1ccccc1
Show InChI InChI=1S/C12H14N2O2/c1-3-14-11(16)13-10(15)12(14,2)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3,(H,13,15,16)
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UniChem
Article
PubMed
n/an/a 7.20E+5n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
In vitro inhibition of Voltage-gated sodium channel by the displacement of [3H]batrachotoxin A 20-alpha-benzoate in rat brain cerebral cortex synapto...


J Med Chem 42: 1537-45 (1999)


Article DOI: 10.1021/jm980556l
BindingDB Entry DOI: 10.7270/Q2RJ4N61
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(Rattus norvegicus)
BDBM50022454
PNG
(3',4'-dihydro-2'H-spiro[imidazolidine-4,1'-naphtha...)
Show SMILES O=C1NC(=O)C2(CCCc3ccccc23)N1
Show InChI InChI=1S/C12H12N2O2/c15-10-12(14-11(16)13-10)7-3-5-8-4-1-2-6-9(8)12/h1-2,4,6H,3,5,7H2,(H2,13,14,15,16)
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Article
PubMed
n/an/a 8.51E+5n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
In vitro inhibition of Voltage-gated sodium channel by the displacement of [3H]batrachotoxin A 20-alpha-benzoate in rat brain cerebral cortex synapto...


J Med Chem 42: 1537-45 (1999)


Article DOI: 10.1021/jm980556l
BindingDB Entry DOI: 10.7270/Q2RJ4N61
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(Rattus norvegicus)
BDBM50022457
PNG
(2',3'-dihydro-2H,5H-spiro[imidazolidine-4,1'-inden...)
Show SMILES O=C1NC(=O)C2(CCc3ccccc23)N1
Show InChI InChI=1S/C11H10N2O2/c14-9-11(13-10(15)12-9)6-5-7-3-1-2-4-8(7)11/h1-4H,5-6H2,(H2,12,13,14,15)
PDB

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PubMed
n/an/a 2.11E+6n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
In vitro inhibition of Voltage-gated sodium channel by the displacement of [3H]batrachotoxin A 20-alpha-benzoate in rat brain cerebral cortex synapto...


J Med Chem 42: 1537-45 (1999)


Article DOI: 10.1021/jm980556l
BindingDB Entry DOI: 10.7270/Q2RJ4N61
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%