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Compile Data Set for Download or QSAR

Found 279 hits Enz. Inhib. hit(s) with Target = 'Sodium channel protein type I I alpha subunit'   
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 I I alpha subunit


(Rattus norvegicus)
BDBM50223720
PNG
(CHEMBL332257)
Show SMILES CCCCCC(CCCCC)c1nc(c[nH]1)-c1ccc(cc1)-c1ccccc1
PDB

UniProtKB/SwissProt

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n/an/a 8n/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL




Bioorg Med Chem Lett 14: 3521-3 (2004)

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


(Homo sapiens (Human))
BDBM50172364
PNG
(2-{[(1R,3S,5R,7S,9R,11S,12S,14R,16R,18S,20R,21Z,24...)
Show SMILES C[C@@H]1C[C@@H]2O[C@@H]3C[C@@H]4OC(=O)C=C(C)[C@H]4O[C@@]3(C)C[C@H]2O[C@H]2CC[C@@]3(C)O[C@@]4(C)C[C@H]5O[C@H]6C[C@H]7O[C@@]8(C)[C@@H](O)C[C@@H](CC(=C)C=O)O[C@@H]8C[C@@H]7O[C@@H]6\C=C/C[C@]5(C)O[C@@H]4C[C@@H]3O[C@H]12 |r,c:59,t:11|
Show InChI InChI=1S/C50H70O14/c1-25(24-51)14-28-17-37(52)50(8)41(54-28)19-33-34(61-50)18-32-29(55-33)10-9-12-46(4)42(58-32)23-49(7)40(62-46)21-39-47(5,64-49)13-11-30-44(60-39)26(2)15-31-36(56-30)22-48(6)38(57-31)20-35-45(63-48)27(3)16-43(53)59-35/h9-10,16,24,26,28-42,44-45,52H,1,11-15,17-23H2,2-8H3/b10-9-/t26-,28-,29-,30+,31+,32+,33+,34-,35+,36-,37+,38-,39+,40-,41-,42-,44-,45-,46+,47-,48+,49+,50+/m1/s1
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n/an/a 15.0n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against synaptosomes using [3H]PbTx-3


J Med Chem 48: 5613-38 (2005)


Article DOI: 10.1021/jm050524f
BindingDB Entry DOI: 10.7270/Q2V988V1
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Homo sapiens (Human))
BDBM50172364
PNG
(2-{[(1R,3S,5R,7S,9R,11S,12S,14R,16R,18S,20R,21Z,24...)
Show SMILES C[C@@H]1C[C@@H]2O[C@@H]3C[C@@H]4OC(=O)C=C(C)[C@H]4O[C@@]3(C)C[C@H]2O[C@H]2CC[C@@]3(C)O[C@@]4(C)C[C@H]5O[C@H]6C[C@H]7O[C@@]8(C)[C@@H](O)C[C@@H](CC(=C)C=O)O[C@@H]8C[C@@H]7O[C@@H]6\C=C/C[C@]5(C)O[C@@H]4C[C@@H]3O[C@H]12 |r,c:59,t:11|
Show InChI InChI=1S/C50H70O14/c1-25(24-51)14-28-17-37(52)50(8)41(54-28)19-33-34(61-50)18-32-29(55-33)10-9-12-46(4)42(58-32)23-49(7)40(62-46)21-39-47(5,64-49)13-11-30-44(60-39)26(2)15-31-36(56-30)22-48(6)38(57-31)20-35-45(63-48)27(3)16-43(53)59-35/h9-10,16,24,26,28-42,44-45,52H,1,11-15,17-23H2,2-8H3/b10-9-/t26-,28-,29-,30+,31+,32+,33+,34-,35+,36-,37+,38-,39+,40-,41-,42-,44-,45-,46+,47-,48+,49+,50+/m1/s1
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n/an/a 15.0n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against synaptosome using [3H]PbTx-3


J Med Chem 48: 5613-38 (2005)


Article DOI: 10.1021/jm050524f
BindingDB Entry DOI: 10.7270/Q2V988V1
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Rattus norvegicus)
BDBM50223731
PNG
(CHEMBL118603)
Show SMILES CCCCCCc1nc(c[nH]1)-c1ccc(cc1)-c1ccccc1
PDB

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n/an/a 16n/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL




Bioorg Med Chem Lett 14: 3521-3 (2004)

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


(Rattus norvegicus)
BDBM50223721
PNG
(CHEMBL331513)
Show SMILES C(CC1CCCCC1)Cc1nc(c[nH]1)-c1ccc(cc1)-c1ccccc1
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n/an/a 19n/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL




Bioorg Med Chem Lett 14: 3521-3 (2004)

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


(Rattus norvegicus)
BDBM50223726
PNG
(CHEMBL117331)
Show SMILES CCCCCC(CCCCC)c1nc(c[nH]1)-c1ccc(F)cc1
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n/an/a 25n/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL




Bioorg Med Chem Lett 14: 3521-3 (2004)

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


(Rattus norvegicus)
BDBM50223735
PNG
(CHEMBL119139)
Show SMILES C(Cc1nc(c[nH]1)-c1ccc(cc1)-c1ccccc1)C1CCCCC1
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n/an/a 26n/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL




Bioorg Med Chem Lett 14: 3521-3 (2004)

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


(Rattus norvegicus)
BDBM50223734
PNG
(CHEMBL331942)
Show SMILES CCCCCCc1nc(c[nH]1)-c1ccc(CC(C)C)cc1
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n/an/a 28n/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL




Bioorg Med Chem Lett 14: 3521-3 (2004)

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


(Rattus norvegicus)
BDBM50223733
PNG
(CHEMBL120306)
Show SMILES CCCC(CCC)c1nc(c[nH]1)-c1ccc(cc1)C(C)(C)C
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n/an/a 30n/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL




Bioorg Med Chem Lett 14: 3521-3 (2004)

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


(Rattus norvegicus)
BDBM50223722
PNG
(CHEMBL334104)
Show SMILES C(C1CCCCC1)c1nc(c[nH]1)-c1ccc(cc1)-c1ccccc1
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n/an/a 70n/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL




Bioorg Med Chem Lett 14: 3521-3 (2004)

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


(Rattus norvegicus)
BDBM50143966
PNG
(2-Chloro-N-[2-{4-[3-(4-fluoro-phenoxy)-2-hydroxy-p...)
Show SMILES OC(COc1ccc(F)cc1)CN1CCN(CC1)C(CNS(=O)(=O)c1ccccc1Cl)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C28H30ClF4N3O4S/c29-25-3-1-2-4-27(25)41(38,39)34-17-26(20-5-7-21(8-6-20)28(31,32)33)36-15-13-35(14-16-36)18-23(37)19-40-24-11-9-22(30)10-12-24/h1-12,23,26,34,37H,13-19H2
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n/an/a 76n/an/an/an/an/an/a



ArQule Inc

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-batrachotoxin binding to neurotoxin site 2 of sodium (Na+) channel in rat cerebral cortex membrane


Bioorg Med Chem Lett 14: 2025-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.078
BindingDB Entry DOI: 10.7270/Q22J6B8R
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Rattus norvegicus)
BDBM50223723
PNG
(CHEMBL119494)
Show SMILES CCCCCC(CCCCC)c1nc(c[nH]1)-c1ccccc1
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n/an/a 86n/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL




Bioorg Med Chem Lett 14: 3521-3 (2004)

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


(Rattus norvegicus)
BDBM50143963
PNG
(CHEMBL64869 | N-[2-{4-[3-(4-Bromo-phenoxy)-2-hydro...)
Show SMILES Cc1cccc(c1)S(=O)(=O)NCC(N1CCN(CC(O)COc2ccc(Br)cc2)CC1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C29H33BrF3N3O4S/c1-21-3-2-4-27(17-21)41(38,39)34-18-28(22-5-7-23(8-6-22)29(31,32)33)36-15-13-35(14-16-36)19-25(37)20-40-26-11-9-24(30)10-12-26/h2-12,17,25,28,34,37H,13-16,18-20H2,1H3
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n/an/a 95n/an/an/an/an/an/a



ArQule Inc

Curated by ChEMBL


Assay Description
Inhibitory concentration against [3H]-batrachotoxin binding to neurotoxin site 2 of sodium (Na+) channel in vitro in rat cerebral cortex membrane at ...


Bioorg Med Chem Lett 14: 2025-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.078
BindingDB Entry DOI: 10.7270/Q22J6B8R
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Rattus norvegicus)
BDBM50223725
PNG
(CHEMBL118682)
Show SMILES CCCC(CCC)c1nc(c[nH]1)-c1ccc(cc1)-c1ccccc1
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n/an/a 100n/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL




Bioorg Med Chem Lett 14: 3521-3 (2004)

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


(Rattus norvegicus)
BDBM50082319
PNG
((R)-1-Phenoxy-3-[4-(4-phenoxy-phenyl)-piperidin-1-...)
Show SMILES O[C@@H](COc1ccccc1)CN1CCC(CC1)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H29NO3/c28-23(20-29-24-7-3-1-4-8-24)19-27-17-15-22(16-18-27)21-11-13-26(14-12-21)30-25-9-5-2-6-10-25/h1-14,22-23,28H,15-20H2/t23-/m1/s1
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n/an/a 120n/an/an/an/an/an/a



Institute for Biomedical Research

Curated by ChEMBL




Bioorg Med Chem Lett 9: 2999-3002 (1999)


BindingDB Entry DOI: 10.7270/Q2D21Z3B
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Rattus norvegicus)
BDBM50082324
PNG
((S)-1-Phenoxy-3-[4-(4-phenoxy-phenyl)-piperidin-1-...)
Show SMILES O[C@H](COc1ccccc1)CN1CCC(CC1)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H29NO3/c28-23(20-29-24-7-3-1-4-8-24)19-27-17-15-22(16-18-27)21-11-13-26(14-12-21)30-25-9-5-2-6-10-25/h1-14,22-23,28H,15-20H2/t23-/m0/s1
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n/an/a 130n/an/an/an/an/an/a



Institute for Biomedical Research

Curated by ChEMBL




Bioorg Med Chem Lett 9: 2999-3002 (1999)


BindingDB Entry DOI: 10.7270/Q2D21Z3B
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Rattus norvegicus)
BDBM50223729
PNG
(CHEMBL418863)
Show SMILES Fc1ccc(cc1)-c1c[nH]c(CC2CCCCC2)n1
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n/an/a 146n/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL




Bioorg Med Chem Lett 14: 3521-3 (2004)

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


(Rattus norvegicus)
BDBM50143950
PNG
(CHEMBL305591 | N-Benzyl-2-{4-[3-(2,6-dimethyl-phen...)
Show SMILES Cc1cccc(C)c1OCC(O)CN1CCN(CC1)C(C(=O)NCc1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C30H36FN3O3/c1-22-7-6-8-23(2)29(22)37-21-27(35)20-33-15-17-34(18-16-33)28(25-11-13-26(31)14-12-25)30(36)32-19-24-9-4-3-5-10-24/h3-14,27-28,35H,15-21H2,1-2H3,(H,32,36)
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n/an/a 149n/an/an/an/an/an/a



ArQule Inc

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-batrachotoxin binding to neurotoxin site 2 of sodium (Na+) channel in rat cerebral cortex membrane


Bioorg Med Chem Lett 14: 2025-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.078
BindingDB Entry DOI: 10.7270/Q22J6B8R
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Rattus norvegicus)
BDBM50143952
PNG
(CHEMBL59712 | N-{1-[2-Hydroxy-3-(4-methoxy-phenoxy...)
Show SMILES COc1ccc(OCC(O)CN2CCC(CC2)N(C(=O)c2ccc(OC)cc2)c2ccccc2)cc1
Show InChI InChI=1S/C29H34N2O5/c1-34-26-10-8-22(9-11-26)29(33)31(23-6-4-3-5-7-23)24-16-18-30(19-17-24)20-25(32)21-36-28-14-12-27(35-2)13-15-28/h3-15,24-25,32H,16-21H2,1-2H3
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n/an/a 183n/an/an/an/an/an/a



ArQule Inc

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-batrachotoxin binding to neurotoxin site 2 of sodium (Na+) channel in rat cerebral cortex membrane


Bioorg Med Chem Lett 14: 2025-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.078
BindingDB Entry DOI: 10.7270/Q22J6B8R
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Rattus norvegicus)
BDBM50082323
PNG
(4-[4-(4-Fluoro-benzyl)-phenyl]-1-((E)-3-phenyl-all...)
Show SMILES Fc1ccc(Cc2ccc(cc2)C2CCN(C\C=C\c3ccccc3)CC2)cc1
Show InChI InChI=1S/C27H28FN/c28-27-14-10-24(11-15-27)21-23-8-12-25(13-9-23)26-16-19-29(20-17-26)18-4-7-22-5-2-1-3-6-22/h1-15,26H,16-21H2/b7-4+
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n/an/a 190n/an/an/an/an/an/a



Institute for Biomedical Research

Curated by ChEMBL




Bioorg Med Chem Lett 9: 2999-3002 (1999)


BindingDB Entry DOI: 10.7270/Q2D21Z3B
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Rattus norvegicus)
BDBM50143954
PNG
(CHEMBL433100 | N-(4-Fluoro-phenyl)-N-{1-[2-hydroxy...)
Show SMILES COc1ccc(OCC(O)CN2CCC(CC2)N(C(=O)c2ccc(OC)cc2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C29H33FN2O5/c1-35-26-9-3-21(4-10-26)29(34)32(23-7-5-22(30)6-8-23)24-15-17-31(18-16-24)19-25(33)20-37-28-13-11-27(36-2)12-14-28/h3-14,24-25,33H,15-20H2,1-2H3
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n/an/a 191n/an/an/an/an/an/a



ArQule Inc

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-batrachotoxin binding to neurotoxin site 2 of sodium (Na+) channel in rat cerebral cortex membrane


Bioorg Med Chem Lett 14: 2025-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.078
BindingDB Entry DOI: 10.7270/Q22J6B8R
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Rattus norvegicus)
BDBM50143958
PNG
(CHEMBL63060 | N-(4-Fluoro-phenyl)-N-{1-[2-hydroxy-...)
Show SMILES COc1ccc(OCC(O)CN2CCC(CC2)N(C(=O)c2ccccc2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C28H31FN2O4/c1-34-26-11-13-27(14-12-26)35-20-25(32)19-30-17-15-24(16-18-30)31(23-9-7-22(29)8-10-23)28(33)21-5-3-2-4-6-21/h2-14,24-25,32H,15-20H2,1H3
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n/an/a 194n/an/an/an/an/an/a



ArQule Inc

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-batrachotoxin binding to neurotoxin site 2 of sodium (Na+) channel in rat cerebral cortex membrane


Bioorg Med Chem Lett 14: 2025-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.078
BindingDB Entry DOI: 10.7270/Q22J6B8R
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Rattus norvegicus)
BDBM50143962
PNG
(CHEMBL62878 | N-(2-{4-[3-(4-Chloro-phenoxy)-2-hydr...)
Show SMILES OC(COc1ccc(Cl)cc1)CN1CCN(CC1)C(CNC(=O)c1ccc(cc1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C29H31ClF3N3O3/c30-24-10-12-26(13-11-24)39-20-25(37)19-35-14-16-36(17-15-35)27(21-4-2-1-3-5-21)18-34-28(38)22-6-8-23(9-7-22)29(31,32)33/h1-13,25,27,37H,14-20H2,(H,34,38)
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n/an/a 208n/an/an/an/an/an/a



ArQule Inc

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-batrachotoxin binding to neurotoxin site 2 of sodium (Na+) channel in rat cerebral cortex membrane


Bioorg Med Chem Lett 14: 2025-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.078
BindingDB Entry DOI: 10.7270/Q22J6B8R
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Rattus norvegicus)
BDBM50143975
PNG
(2-(4-Fluoro-phenyl)-2-{4-[2-hydroxy-3-(4-methoxy-p...)
Show SMILES COc1ccc(CNC(=O)C(N2CCN(CC(O)COc3ccc(OC)cc3)CC2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C30H36FN3O5/c1-37-26-9-3-22(4-10-26)19-32-30(36)29(23-5-7-24(31)8-6-23)34-17-15-33(16-18-34)20-25(35)21-39-28-13-11-27(38-2)12-14-28/h3-14,25,29,35H,15-21H2,1-2H3,(H,32,36)
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ArQule Inc

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-batrachotoxin binding to neurotoxin site 2 of sodium (Na+) channel in rat cerebral cortex membrane


Bioorg Med Chem Lett 14: 2025-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.078
BindingDB Entry DOI: 10.7270/Q22J6B8R
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Rattus norvegicus)
BDBM50143964
PNG
(4-Chloro-N-(4-fluoro-phenyl)-N-{1-[2-hydroxy-3-(4-...)
Show SMILES COc1ccc(OCC(O)CN2CCC(CC2)N(C(=O)c2ccc(Cl)cc2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C28H30ClFN2O4/c1-35-26-10-12-27(13-11-26)36-19-25(33)18-31-16-14-24(15-17-31)32(23-8-6-22(30)7-9-23)28(34)20-2-4-21(29)5-3-20/h2-13,24-25,33H,14-19H2,1H3
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ArQule Inc

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-batrachotoxin binding to neurotoxin site 2 of sodium (Na+) channel in rat cerebral cortex membrane


Bioorg Med Chem Lett 14: 2025-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.078
BindingDB Entry DOI: 10.7270/Q22J6B8R
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Rattus norvegicus)
BDBM50082319
PNG
((R)-1-Phenoxy-3-[4-(4-phenoxy-phenyl)-piperidin-1-...)
Show SMILES O[C@@H](COc1ccccc1)CN1CCC(CC1)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H29NO3/c28-23(20-29-24-7-3-1-4-8-24)19-27-17-15-22(16-18-27)21-11-13-26(14-12-21)30-25-9-5-2-6-10-25/h1-14,22-23,28H,15-20H2/t23-/m1/s1
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n/an/a 220n/an/an/an/an/an/a



Institute for Biomedical Research

Curated by ChEMBL




Bioorg Med Chem Lett 9: 2999-3002 (1999)


BindingDB Entry DOI: 10.7270/Q2D21Z3B
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Rattus norvegicus)
BDBM50143945
PNG
(4-Chloro-N-{1-[2-hydroxy-3-(4-methoxy-phenoxy)-pro...)
Show SMILES COc1ccc(OCC(O)CN2CCC(CC2)N(C(=O)c2ccc(Cl)cc2)c2ccccc2)cc1
Show InChI InChI=1S/C28H31ClN2O4/c1-34-26-11-13-27(14-12-26)35-20-25(32)19-30-17-15-24(16-18-30)31(23-5-3-2-4-6-23)28(33)21-7-9-22(29)10-8-21/h2-14,24-25,32H,15-20H2,1H3
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ArQule Inc

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-batrachotoxin binding to neurotoxin site 2 of sodium (Na+) channel in rat cerebral cortex membrane


Bioorg Med Chem Lett 14: 2025-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.078
BindingDB Entry DOI: 10.7270/Q22J6B8R
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Rattus norvegicus)
BDBM50143970
PNG
(CHEMBL61336 | N-(2-{4-[2-Hydroxy-3-(4-methoxy-phen...)
Show SMILES COc1ccc(OCC(O)CN2CCN(CC2)C(CNC(=O)c2ccc(cc2)C(F)(F)F)c2ccccc2)cc1
Show InChI InChI=1S/C30H34F3N3O4/c1-39-26-11-13-27(14-12-26)40-21-25(37)20-35-15-17-36(18-16-35)28(22-5-3-2-4-6-22)19-34-29(38)23-7-9-24(10-8-23)30(31,32)33/h2-14,25,28,37H,15-21H2,1H3,(H,34,38)
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ArQule Inc

Curated by ChEMBL


Assay Description
Inhibitory concentration against [3H]-batrachotoxin binding to neurotoxin site 2 of sodium (Na+) channel in vitro in rat cerebral cortex membrane at ...


Bioorg Med Chem Lett 14: 2025-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.078
BindingDB Entry DOI: 10.7270/Q22J6B8R
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Rattus norvegicus)
BDBM50143957
PNG
(CHEMBL60847 | N-Benzyl-2-(4-fluoro-phenyl)-2-{4-[2...)
Show SMILES COc1ccc(OCC(O)CN2CCN(CC2)C(C(=O)NCc2ccccc2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C29H34FN3O4/c1-36-26-11-13-27(14-12-26)37-21-25(34)20-32-15-17-33(18-16-32)28(23-7-9-24(30)10-8-23)29(35)31-19-22-5-3-2-4-6-22/h2-14,25,28,34H,15-21H2,1H3,(H,31,35)
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ArQule Inc

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-batrachotoxin binding to neurotoxin site 2 of sodium (Na+) channel in rat cerebral cortex membrane


Bioorg Med Chem Lett 14: 2025-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.078
BindingDB Entry DOI: 10.7270/Q22J6B8R
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Rattus norvegicus)
BDBM50143961
PNG
(CHEMBL62240 | N-{1-[2-Hydroxy-3-(4-methoxy-phenoxy...)
Show SMILES COc1ccc(OCC(O)CN2CCC(CC2)N(C(=O)c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C28H32N2O4/c1-33-26-12-14-27(15-13-26)34-21-25(31)20-29-18-16-24(17-19-29)30(23-10-6-3-7-11-23)28(32)22-8-4-2-5-9-22/h2-15,24-25,31H,16-21H2,1H3
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ArQule Inc

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-batrachotoxin binding to neurotoxin site 2 of sodium (Na+) channel in rat cerebral cortex membrane


Bioorg Med Chem Lett 14: 2025-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.078
BindingDB Entry DOI: 10.7270/Q22J6B8R
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Homo sapiens (Human))
BDBM50017698
PNG
(4-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-N,N...)
Show SMILES CN(C)C(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H33ClN2O2/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23/h3-16,34H,17-22H2,1-2H3
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TBA

Curated by ChEMBL




J Med Chem 28: 381-8 (1985)

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


(Homo sapiens (Human))
BDBM50017686
PNG
(4-[4-(4-Chloro-3-trifluoromethyl-phenyl)-4-hydroxy...)
Show SMILES CN(C)C(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)c(c1)C(F)(F)F)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H32ClF3N2O2/c1-35(2)27(37)29(22-9-5-3-6-10-22,23-11-7-4-8-12-23)17-20-36-18-15-28(38,16-19-36)24-13-14-26(31)25(21-24)30(32,33)34/h3-14,21,38H,15-20H2,1-2H3
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TBA

Curated by ChEMBL




J Med Chem 28: 381-8 (1985)

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


(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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Institute for Biomedical Research

Curated by ChEMBL




Bioorg Med Chem Lett 9: 2999-3002 (1999)


BindingDB Entry DOI: 10.7270/Q2D21Z3B
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Rattus norvegicus)
BDBM50143949
PNG
(CHEMBL60843 | N-Benzyl-2-{4-[3-(2,6-dimethyl-pheno...)
Show SMILES Cc1cccc(C)c1OCC(O)CN1CCN(CC1)C(C(=O)NCc1ccccc1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C31H36F3N3O3/c1-22-7-6-8-23(2)29(22)40-21-27(38)20-36-15-17-37(18-16-36)28(25-11-13-26(14-12-25)31(32,33)34)30(39)35-19-24-9-4-3-5-10-24/h3-14,27-28,38H,15-21H2,1-2H3,(H,35,39)
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ArQule Inc

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-batrachotoxin binding to neurotoxin site 2 of sodium (Na+) channel in rat cerebral cortex membrane


Bioorg Med Chem Lett 14: 2025-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.078
BindingDB Entry DOI: 10.7270/Q22J6B8R
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Homo sapiens (Human))
BDBM50017723
PNG
((3,3-Diphenyl-propyl)-(1-methyl-2-phenyl-ethyl)-am...)
Show SMILES CC(Cc1ccccc1)NCCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H27N/c1-20(19-21-11-5-2-6-12-21)25-18-17-24(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,20,24-25H,17-19H2,1H3
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TBA

Curated by ChEMBL




J Med Chem 28: 381-8 (1985)

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


(Rattus norvegicus)
BDBM50082320
PNG
(4-(4-Phenoxy-phenyl)-1-((E)-3-phenyl-allyl)-piperi...)
Show SMILES C(\C=C\c1ccccc1)N1CCC(CC1)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H27NO/c1-3-8-22(9-4-1)10-7-19-27-20-17-24(18-21-27)23-13-15-26(16-14-23)28-25-11-5-2-6-12-25/h1-16,24H,17-21H2/b10-7+
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n/an/a 320n/an/an/an/an/an/a



Institute for Biomedical Research

Curated by ChEMBL




Bioorg Med Chem Lett 9: 2999-3002 (1999)


BindingDB Entry DOI: 10.7270/Q2D21Z3B
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Rattus norvegicus)
BDBM50223732
PNG
(CHEMBL118626)
Show SMILES CCCC(CCC)c1nc(c[nH]1)-c1ccc(cc1)-c1ccc(Br)cc1
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n/an/a 322n/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL




Bioorg Med Chem Lett 14: 3521-3 (2004)

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


(Rattus norvegicus)
BDBM50143967
PNG
(CHEMBL60568 | N-Benzyl-2-{4-[3-(2,6-dimethyl-pheno...)
Show SMILES Cc1ccc(cc1)C(N1CCN(CC(O)COc2c(C)cccc2C)CC1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C31H39N3O3/c1-23-12-14-27(15-13-23)29(31(36)32-20-26-10-5-4-6-11-26)34-18-16-33(17-19-34)21-28(35)22-37-30-24(2)8-7-9-25(30)3/h4-15,28-29,35H,16-22H2,1-3H3,(H,32,36)
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ArQule Inc

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-batrachotoxin binding to neurotoxin site 2 of sodium (Na+) channel in rat cerebral cortex membrane


Bioorg Med Chem Lett 14: 2025-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.078
BindingDB Entry DOI: 10.7270/Q22J6B8R
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Rattus norvegicus)
BDBM50143976
PNG
(2-{4-[3-(2,6-Dimethyl-phenoxy)-2-hydroxy-propyl]-p...)
Show SMILES COc1ccc(CNC(=O)C(N2CCN(CC(O)COc3c(C)cccc3C)CC2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C31H38FN3O4/c1-22-5-4-6-23(2)30(22)39-21-27(36)20-34-15-17-35(18-16-34)29(25-9-11-26(32)12-10-25)31(37)33-19-24-7-13-28(38-3)14-8-24/h4-14,27,29,36H,15-21H2,1-3H3,(H,33,37)
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ArQule Inc

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-batrachotoxin binding to neurotoxin site 2 of sodium (Na+) channel in rat cerebral cortex membrane


Bioorg Med Chem Lett 14: 2025-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.078
BindingDB Entry DOI: 10.7270/Q22J6B8R
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Rattus norvegicus)
BDBM50143956
PNG
(2-{4-[3-(2,6-Dimethyl-phenoxy)-2-hydroxy-propyl]-p...)
Show SMILES COc1ccc(CNC(=O)C(N2CCN(CC(O)COc3c(C)cccc3C)CC2)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C32H41N3O4/c1-23-8-12-27(13-9-23)30(32(37)33-20-26-10-14-29(38-4)15-11-26)35-18-16-34(17-19-35)21-28(36)22-39-31-24(2)6-5-7-25(31)3/h5-15,28,30,36H,16-22H2,1-4H3,(H,33,37)
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ArQule Inc

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-batrachotoxin binding to neurotoxin site 2 of sodium (Na+) channel in rat cerebral cortex membrane


Bioorg Med Chem Lett 14: 2025-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.078
BindingDB Entry DOI: 10.7270/Q22J6B8R
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Rattus norvegicus)
BDBM50143974
PNG
(2-{4-[3-(2,6-Dimethyl-phenoxy)-2-hydroxy-propyl]-p...)
Show SMILES COc1ccc(CNC(=O)C(N2CCN(CC(O)COc3c(C)cccc3C)CC2)c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C32H38F3N3O4/c1-22-5-4-6-23(2)30(22)42-21-27(39)20-37-15-17-38(18-16-37)29(25-9-11-26(12-10-25)32(33,34)35)31(40)36-19-24-7-13-28(41-3)14-8-24/h4-14,27,29,39H,15-21H2,1-3H3,(H,36,40)
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ArQule Inc

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-batrachotoxin binding to neurotoxin site 2 of sodium (Na+) channel in rat cerebral cortex membrane


Bioorg Med Chem Lett 14: 2025-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.078
BindingDB Entry DOI: 10.7270/Q22J6B8R
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Rattus norvegicus)
BDBM50143955
PNG
(2-{4-[2-Hydroxy-3-(4-methoxy-phenoxy)-propyl]-pipe...)
Show SMILES COc1ccc(CNC(=O)C(N2CCN(CC(O)COc3ccc(OC)cc3)CC2)c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C31H36F3N3O5/c1-40-26-9-3-22(4-10-26)19-35-30(39)29(23-5-7-24(8-6-23)31(32,33)34)37-17-15-36(16-18-37)20-25(38)21-42-28-13-11-27(41-2)12-14-28/h3-14,25,29,38H,15-21H2,1-2H3,(H,35,39)
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ArQule Inc

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-batrachotoxin binding to neurotoxin site 2 of sodium (Na+) channel in rat cerebral cortex membrane


Bioorg Med Chem Lett 14: 2025-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.078
BindingDB Entry DOI: 10.7270/Q22J6B8R
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Rattus norvegicus)
BDBM50082322
PNG
(1-{4-[4-(4-Fluoro-benzyl)-phenyl]-piperidin-1-yl}-...)
Show SMILES OC(COc1ccccc1)CN1CCC(CC1)c1ccc(Cc2ccc(F)cc2)cc1
Show InChI InChI=1S/C27H30FNO2/c28-25-12-8-22(9-13-25)18-21-6-10-23(11-7-21)24-14-16-29(17-15-24)19-26(30)20-31-27-4-2-1-3-5-27/h1-13,24,26,30H,14-20H2
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n/an/a 360n/an/an/an/an/an/a



Institute for Biomedical Research

Curated by ChEMBL




Bioorg Med Chem Lett 9: 2999-3002 (1999)


BindingDB Entry DOI: 10.7270/Q2D21Z3B
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Rattus norvegicus)
BDBM50143947
PNG
(4-Fluoro-N-{2-[4-(2-hydroxy-3-phenoxy-propyl)-pipe...)
Show SMILES OC(COc1ccccc1)CN1CCN(CC1)C(CNC(=O)c1ccc(F)cc1)c1ccccc1
Show InChI InChI=1S/C28H32FN3O3/c29-24-13-11-23(12-14-24)28(34)30-19-27(22-7-3-1-4-8-22)32-17-15-31(16-18-32)20-25(33)21-35-26-9-5-2-6-10-26/h1-14,25,27,33H,15-21H2,(H,30,34)
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ArQule Inc

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-batrachotoxin binding to neurotoxin site 2 of sodium (Na+) channel in rat cerebral cortex membrane


Bioorg Med Chem Lett 14: 2025-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.078
BindingDB Entry DOI: 10.7270/Q22J6B8R
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Rattus norvegicus)
BDBM50143965
PNG
(CHEMBL60666 | N-(2-{4-[3-(4-Chloro-phenoxy)-2-hydr...)
Show SMILES COc1ccccc1C(=O)NCC(N1CCN(CC(O)COc2ccc(Cl)cc2)CC1)c1ccccc1
Show InChI InChI=1S/C29H34ClN3O4/c1-36-28-10-6-5-9-26(28)29(35)31-19-27(22-7-3-2-4-8-22)33-17-15-32(16-18-33)20-24(34)21-37-25-13-11-23(30)12-14-25/h2-14,24,27,34H,15-21H2,1H3,(H,31,35)
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ArQule Inc

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-batrachotoxin binding to neurotoxin site 2 of sodium (Na+) channel in rat cerebral cortex membrane


Bioorg Med Chem Lett 14: 2025-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.078
BindingDB Entry DOI: 10.7270/Q22J6B8R
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Homo sapiens (Human))
BDBM50017659
PNG
(2-(Dimethylamino)ethyl p-(butylamino)benzoate | 2-...)
Show SMILES CCCCNc1ccc(cc1)C(=O)OCCN(C)C
Show InChI InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3
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n/an/a 400n/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 7: 181-186 (1997)


Article DOI: 10.1016/S0960-894X(96)00596-3
BindingDB Entry DOI: 10.7270/Q20G3KN4
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Rattus norvegicus)
BDBM50143951
PNG
(1-Allyloxy-3-{4-[(4-chloro-phenyl)-phenyl-methyl]-...)
Show SMILES OC(COCC=C)CN1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H29ClN2O2/c1-2-16-28-18-22(27)17-25-12-14-26(15-13-25)23(19-6-4-3-5-7-19)20-8-10-21(24)11-9-20/h2-11,22-23,27H,1,12-18H2
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ArQule Inc

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-batrachotoxin binding to neurotoxin site 2 of sodium (Na+) channel in rat cerebral cortex membrane


Bioorg Med Chem Lett 14: 2025-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.078
BindingDB Entry DOI: 10.7270/Q22J6B8R
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Rattus norvegicus)
BDBM50143971
PNG
(CHEMBL59644 | N-Benzyl-2-{4-[2-hydroxy-3-(4-methox...)
Show SMILES COc1ccc(OCC(O)CN2CCN(CC2)C(C(=O)NCc2ccccc2)c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C30H34F3N3O4/c1-39-26-11-13-27(14-12-26)40-21-25(37)20-35-15-17-36(18-16-35)28(23-7-9-24(10-8-23)30(31,32)33)29(38)34-19-22-5-3-2-4-6-22/h2-14,25,28,37H,15-21H2,1H3,(H,34,38)
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n/an/a 429n/an/an/an/an/an/a



ArQule Inc

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-batrachotoxin binding to neurotoxin site 2 of sodium (Na+) channel in rat cerebral cortex membrane


Bioorg Med Chem Lett 14: 2025-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.078
BindingDB Entry DOI: 10.7270/Q22J6B8R
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Homo sapiens (Human))
BDBM50017657
PNG
(1-(Diphenylmethyl)-4-(3-phenyl-2-propenyl)piperazi...)
Show SMILES C(\C=C\c1ccccc1)N1CCN(CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H28N2/c1-4-11-23(12-5-1)13-10-18-27-19-21-28(22-20-27)26(24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-17,26H,18-22H2/b13-10+
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TBA

Curated by ChEMBL




J Med Chem 28: 381-8 (1985)

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


(Homo sapiens (Human))
BDBM50290406
PNG
(Benzoic acid 3-dimethylaminomethyl-5-hydroxy-5-(1-...)
Show SMILES CO[C@]12CCC3(C)C(CCC[C@]3(O1)[C@H](O)C[C@@H](CCOC(=O)c1ccccc1)CN(C)C)C2 |TLB:8:7:11.12:4.3,13:11:7.32:4.3,3:2:5:10.8.9,THB:6:5:12.2.32:10.8.9,10:11:7.32:4.3|
Show InChI InChI=1S/C27H41NO5/c1-25-14-15-26(31-4)18-22(25)11-8-13-27(25,33-26)23(29)17-20(19-28(2)3)12-16-32-24(30)21-9-6-5-7-10-21/h5-7,9-10,20,22-23,29H,8,11-19H2,1-4H3/t20-,22?,23-,25?,26-,27+/m1/s1
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TBA

Curated by ChEMBL




Bioorg Med Chem Lett 7: 181-186 (1997)


Article DOI: 10.1016/S0960-894X(96)00596-3
BindingDB Entry DOI: 10.7270/Q20G3KN4
More data for this
Ligand-Target Pair
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