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Compile Data Set for Download or QSAR

Found 46 hits with Last Name = 'roufos' and Initial = 'i'   
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)
BDBM50019293
PNG
(1-(1-{3-[Bis-(4-fluoro-phenyl)-amino]-propyl}-pipe...)
Show SMILES Fc1ccc(cc1)N(CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc(F)cc1
Show InChI InChI=1S/C27H28F2N4O/c28-20-6-10-22(11-7-20)32(23-12-8-21(29)9-13-23)17-3-16-31-18-14-24(15-19-31)33-26-5-2-1-4-25(26)30-27(33)34/h1-2,4-13,24H,3,14-19H2,(H,30,34)
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n/an/a 340n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against type IIA sodium channel in CNaIIA-1 cell line expressed in CHO cells


J Med Chem 39: 1514-20 (1996)


Article DOI: 10.1021/jm950467y
BindingDB Entry DOI: 10.7270/Q2JS9PJC
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)
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 490n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against type IIA sodium channel in CNaIIA-1 cell line expressed in CHO cells


J Med Chem 39: 1514-20 (1996)


Article DOI: 10.1021/jm950467y
BindingDB Entry DOI: 10.7270/Q2JS9PJC
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Rattus norvegicus)
BDBM50051985
PNG
(CHEMBL288826 | N-[3-(4-Benzyl-piperidin-1-yl)-prop...)
Show SMILES O=C(NCCCN1CCC(Cc2ccccc2)CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H34N2O/c32-29(28(26-13-6-2-7-14-26)27-15-8-3-9-16-27)30-19-10-20-31-21-17-25(18-22-31)23-24-11-4-1-5-12-24/h1-9,11-16,25,28H,10,17-23H2,(H,30,32)
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n/an/a 600n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against type IIA sodium channel in CNaIIA-1 cell line expressed in CHO cells


J Med Chem 39: 1514-20 (1996)


Article DOI: 10.1021/jm950467y
BindingDB Entry DOI: 10.7270/Q2JS9PJC
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Rattus norvegicus)
BDBM50051984
PNG
(CHEMBL36637 | N-[3-(4-Benzyl-piperazin-1-yl)-propy...)
Show SMILES O=C(NCCCN1CCN(Cc2ccccc2)CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H33N3O/c32-28(27(25-13-6-2-7-14-25)26-15-8-3-9-16-26)29-17-10-18-30-19-21-31(22-20-30)23-24-11-4-1-5-12-24/h1-9,11-16,27H,10,17-23H2,(H,29,32)
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n/an/a 700n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against type IIA sodium channel in CNaIIA-1 cell line expressed in CHO cells


J Med Chem 39: 1514-20 (1996)


Article DOI: 10.1021/jm950467y
BindingDB Entry DOI: 10.7270/Q2JS9PJC
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Rattus norvegicus)
BDBM50051979
PNG
(CHEMBL35818 | N-{3-[4-(2-Oxo-2,3-dihydro-benzoimid...)
Show SMILES O=C(NCCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H32N4O2/c34-28(27(22-10-3-1-4-11-22)23-12-5-2-6-13-23)30-18-9-19-32-20-16-24(17-21-32)33-26-15-8-7-14-25(26)31-29(33)35/h1-8,10-15,24,27H,9,16-21H2,(H,30,34)(H,31,35)
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n/an/a 720n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against type IIA sodium channel in CNaIIA-1 cell line expressed in CHO cells


J Med Chem 39: 1514-20 (1996)


Article DOI: 10.1021/jm950467y
BindingDB Entry DOI: 10.7270/Q2JS9PJC
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Rattus norvegicus)
BDBM50051978
PNG
(2,2-Diphenyl-N-[3-(4-phenyl-piperidin-1-yl)-propyl...)
Show SMILES O=C(NCCCN1CCC(CC1)c1ccccc1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H32N2O/c31-28(27(25-13-6-2-7-14-25)26-15-8-3-9-16-26)29-19-10-20-30-21-17-24(18-22-30)23-11-4-1-5-12-23/h1-9,11-16,24,27H,10,17-22H2,(H,29,31)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against type IIA sodium channel in CNaIIA-1 cell line expressed in CHO cells


J Med Chem 39: 1514-20 (1996)


Article DOI: 10.1021/jm950467y
BindingDB Entry DOI: 10.7270/Q2JS9PJC
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Rattus norvegicus)
BDBM50051968
PNG
(CHEMBL37217 | N-[3-(Benzyl-methyl-amino)-propyl]-2...)
Show SMILES CN(CCCNC(=O)C(c1ccccc1)c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C25H28N2O/c1-27(20-21-12-5-2-6-13-21)19-11-18-26-25(28)24(22-14-7-3-8-15-22)23-16-9-4-10-17-23/h2-10,12-17,24H,11,18-20H2,1H3,(H,26,28)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against type IIA sodium channel in CNaIIA-1 cell line expressed in CHO cells


J Med Chem 39: 1514-20 (1996)


Article DOI: 10.1021/jm950467y
BindingDB Entry DOI: 10.7270/Q2JS9PJC
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Rattus norvegicus)
BDBM50051972
PNG
(CHEMBL37974 | N-{3-[4-(2-Methoxy-phenyl)-piperazin...)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)C(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C28H33N3O2/c1-33-26-16-9-8-15-25(26)31-21-19-30(20-22-31)18-10-17-29-28(32)27(23-11-4-2-5-12-23)24-13-6-3-7-14-24/h2-9,11-16,27H,10,17-22H2,1H3,(H,29,32)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against type IIA sodium channel in CNaIIA-1 cell line expressed in CHO cells


J Med Chem 39: 1514-20 (1996)


Article DOI: 10.1021/jm950467y
BindingDB Entry DOI: 10.7270/Q2JS9PJC
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Rattus norvegicus)
BDBM50051973
PNG
(CHEMBL39907 | N-[3-(4-Phenoxy-piperidin-1-yl)-prop...)
Show SMILES O=C(NCCCN1CCC(CC1)Oc1ccccc1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H32N2O2/c31-28(27(23-11-4-1-5-12-23)24-13-6-2-7-14-24)29-19-10-20-30-21-17-26(18-22-30)32-25-15-8-3-9-16-25/h1-9,11-16,26-27H,10,17-22H2,(H,29,31)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against type IIA sodium channel in CNaIIA-1 cell line expressed in CHO cells


J Med Chem 39: 1514-20 (1996)


Article DOI: 10.1021/jm950467y
BindingDB Entry DOI: 10.7270/Q2JS9PJC
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Rattus norvegicus)
BDBM50051976
PNG
(CHEMBL36798 | N-[2-Methyl-3-(4-phenyl-piperidin-1-...)
Show SMILES CC(CNC(=O)C(c1ccccc1)c1ccccc1)CN1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C29H34N2O/c1-23(22-31-19-17-25(18-20-31)24-11-5-2-6-12-24)21-30-29(32)28(26-13-7-3-8-14-26)27-15-9-4-10-16-27/h2-16,23,25,28H,17-22H2,1H3,(H,30,32)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against type IIA sodium channel in CNaIIA-1 cell line expressed in CHO cells


J Med Chem 39: 1514-20 (1996)


Article DOI: 10.1021/jm950467y
BindingDB Entry DOI: 10.7270/Q2JS9PJC
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Rattus norvegicus)
BDBM50051988
PNG
(CHEMBL38095 | N-[3-(4-Hydroxy-4-phenyl-piperidin-1...)
Show SMILES OC1(CCN(CCCNC(=O)C(c2ccccc2)c2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C28H32N2O2/c31-27(26(23-11-4-1-5-12-23)24-13-6-2-7-14-24)29-19-10-20-30-21-17-28(32,18-22-30)25-15-8-3-9-16-25/h1-9,11-16,26,32H,10,17-22H2,(H,29,31)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against type IIA sodium channel in CNaIIA-1 cell line expressed in CHO cells


J Med Chem 39: 1514-20 (1996)


Article DOI: 10.1021/jm950467y
BindingDB Entry DOI: 10.7270/Q2JS9PJC
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)
BDBM50051975
PNG
(CHEMBL40106 | N-[3-(2,6-Dimethyl-morpholin-4-yl)-p...)
Show SMILES CC1CN(CCCNC(=O)C(c2ccccc2)c2ccccc2)CC(C)O1
Show InChI InChI=1S/C23H30N2O2/c1-18-16-25(17-19(2)27-18)15-9-14-24-23(26)22(20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-8,10-13,18-19,22H,9,14-17H2,1-2H3,(H,24,26)
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n/an/a 2.70E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against type IIA sodium channel in CNaIIA-1 cell line expressed in CHO cells


J Med Chem 39: 1514-20 (1996)


Article DOI: 10.1021/jm950467y
BindingDB Entry DOI: 10.7270/Q2JS9PJC
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)
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
Inhibitory activity against type IIA sodium channel in CNaIIA-1 cell line expressed in CHO cells


J Med Chem 39: 1514-20 (1996)


Article DOI: 10.1021/jm950467y
BindingDB Entry DOI: 10.7270/Q2JS9PJC
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)
BDBM50051986
PNG
(CHEMBL40788 | N-(3-Diethylamino-propyl)-2,2-diphen...)
Show SMILES CCN(CC)CCCNC(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H28N2O/c1-3-23(4-2)17-11-16-22-21(24)20(18-12-7-5-8-13-18)19-14-9-6-10-15-19/h5-10,12-15,20H,3-4,11,16-17H2,1-2H3,(H,22,24)
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n/an/a 4.40E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against type IIA sodium channel in CNaIIA-1 cell line expressed in CHO cells


J Med Chem 39: 1514-20 (1996)


Article DOI: 10.1021/jm950467y
BindingDB Entry DOI: 10.7270/Q2JS9PJC
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)
BDBM50051990
PNG
(CHEMBL37446 | N-[3-(2,5-Dimethyl-pyrrolidin-1-yl)-...)
Show SMILES CC1CCC(C)N1CCCNC(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H30N2O/c1-18-14-15-19(2)25(18)17-9-16-24-23(26)22(20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-8,10-13,18-19,22H,9,14-17H2,1-2H3,(H,24,26)
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n/an/a 4.60E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against type IIA sodium channel in CNaIIA-1 cell line expressed in CHO cells


J Med Chem 39: 1514-20 (1996)


Article DOI: 10.1021/jm950467y
BindingDB Entry DOI: 10.7270/Q2JS9PJC
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Rattus norvegicus)
BDBM50051980
PNG
(2,2-Diphenyl-N-(3-piperidin-1-yl-propyl)-acetamide...)
Show SMILES O=C(NCCCN1CCCCC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H28N2O/c25-22(23-15-10-18-24-16-8-3-9-17-24)21(19-11-4-1-5-12-19)20-13-6-2-7-14-20/h1-2,4-7,11-14,21H,3,8-10,15-18H2,(H,23,25)
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n/an/a 5.30E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against type IIA sodium channel in CNaIIA-1 cell line expressed in CHO cells


J Med Chem 39: 1514-20 (1996)


Article DOI: 10.1021/jm950467y
BindingDB Entry DOI: 10.7270/Q2JS9PJC
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)
BDBM50051982
PNG
(CHEMBL288029 | N-(3-Morpholin-4-yl-propyl)-2,2-dip...)
Show SMILES O=C(NCCCN1CCOCC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H26N2O2/c24-21(22-12-7-13-23-14-16-25-17-15-23)20(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,20H,7,12-17H2,(H,22,24)
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n/an/a 6.50E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against type IIA sodium channel in CNaIIA-1 cell line expressed in CHO cells


J Med Chem 39: 1514-20 (1996)


Article DOI: 10.1021/jm950467y
BindingDB Entry DOI: 10.7270/Q2JS9PJC
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Rattus norvegicus)
BDBM50051977
PNG
(2,2-Diphenyl-N-(2-piperidin-1-yl-ethyl)-acetamide ...)
Show SMILES O=C(NCCN1CCCCC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H26N2O/c24-21(22-14-17-23-15-8-3-9-16-23)20(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-2,4-7,10-13,20H,3,8-9,14-17H2,(H,22,24)
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n/an/a 7.20E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against type IIA sodium channel in CNaIIA-1 cell line expressed in CHO cells


J Med Chem 39: 1514-20 (1996)


Article DOI: 10.1021/jm950467y
BindingDB Entry DOI: 10.7270/Q2JS9PJC
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)
BDBM50051981
PNG
(2,2-Diphenyl-N-(4-piperidin-1-yl-butyl)-acetamide ...)
Show SMILES O=C(NCCCCN1CCCCC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H30N2O/c26-23(24-16-8-11-19-25-17-9-3-10-18-25)22(20-12-4-1-5-13-20)21-14-6-2-7-15-21/h1-2,4-7,12-15,22H,3,8-11,16-19H2,(H,24,26)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against type IIA sodium channel in CNaIIA-1 cell line expressed in CHO cells


J Med Chem 39: 1514-20 (1996)


Article DOI: 10.1021/jm950467y
BindingDB Entry DOI: 10.7270/Q2JS9PJC
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)
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)
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)
BDBM50051987
PNG
(CHEMBL37379 | N-(3-Dimethylamino-propyl)-2,2-diphe...)
Show SMILES CN(C)CCCNC(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C19H24N2O/c1-21(2)15-9-14-20-19(22)18(16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-8,10-13,18H,9,14-15H2,1-2H3,(H,20,22)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against type IIA sodium channel in CNaIIA-1 cell line expressed in CHO cells


J Med Chem 39: 1514-20 (1996)


Article DOI: 10.1021/jm950467y
BindingDB Entry DOI: 10.7270/Q2JS9PJC
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)
BDBM50051983
PNG
(CHEMBL40078 | N-[2-(1-Methyl-pyrrolidin-2-yl)-ethy...)
Show SMILES CN1CCCC1CCNC(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H26N2O/c1-23-16-8-13-19(23)14-15-22-21(24)20(17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-7,9-12,19-20H,8,13-16H2,1H3,(H,22,24)
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n/an/a 3.20E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against type IIA sodium channel in CNaIIA-1 cell line expressed in CHO cells


J Med Chem 39: 1514-20 (1996)


Article DOI: 10.1021/jm950467y
BindingDB Entry DOI: 10.7270/Q2JS9PJC
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)
BDBM50051974
PNG
(CHEMBL34069 | N-(3-Amino-propyl)-2,2-diphenyl-acet...)
Show SMILES NCCCNC(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H20N2O/c18-12-7-13-19-17(20)16(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13,18H2,(H,19,20)
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n/an/a 4.00E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against type IIA sodium channel in CNaIIA-1 cell line expressed in CHO cells


J Med Chem 39: 1514-20 (1996)


Article DOI: 10.1021/jm950467y
BindingDB Entry DOI: 10.7270/Q2JS9PJC
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)
BDBM50051989
PNG
(CHEMBL435767 | N-(1-Aza-bicyclo[2.2.2]oct-3-yl)-2,...)
Show SMILES O=C(NC1CN2CCC1CC2)C(c1ccccc1)c1ccccc1 |TLB:2:3:9.10:7.6,(11.7,-7.71,;11.7,-9.27,;13.05,-10.05,;13.05,-11.59,;11.97,-12.17,;13.5,-12.49,;15.53,-13.96,;16.51,-12.78,;14.99,-12.92,;16.32,-12.18,;14.85,-11.74,;10.37,-10.05,;10.37,-11.59,;9.04,-12.36,;9.04,-13.91,;10.37,-14.68,;11.7,-13.91,;11.7,-12.36,;9.03,-9.25,;9.03,-7.71,;7.69,-6.94,;6.36,-7.71,;6.36,-9.25,;7.69,-10.02,)|
Show InChI InChI=1S/C21H24N2O/c24-21(22-19-15-23-13-11-16(19)12-14-23)20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,16,19-20H,11-15H2,(H,22,24)
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n/an/a 9.50E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against type IIA sodium channel in CNaIIA-1 cell line expressed in CHO cells


J Med Chem 39: 1514-20 (1996)


Article DOI: 10.1021/jm950467y
BindingDB Entry DOI: 10.7270/Q2JS9PJC
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)
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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)
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)
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)
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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
Sodium channel protein type 2 subunit alpha


(Rattus norvegicus)
BDBM50051970
PNG
(CHEMBL285029 | N-(3-Dimethylamino-propyl)-N-methyl...)
Show SMILES CN(C)CCCN(C)C(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H26N2O/c1-21(2)15-10-16-22(3)20(23)19(17-11-6-4-7-12-17)18-13-8-5-9-14-18/h4-9,11-14,19H,10,15-16H2,1-3H3
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n/an/a>2.00E+5n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against type IIA sodium channel in CNaIIA-1 cell line expressed in CHO cells


J Med Chem 39: 1514-20 (1996)


Article DOI: 10.1021/jm950467y
BindingDB Entry DOI: 10.7270/Q2JS9PJC
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Rattus norvegicus)
BDBM50051969
PNG
(CHEMBL289225 | N-[3-(4-Methyl-piperazin-1-yl)-prop...)
Show SMILES CN1CCN(CCCNC(=O)C(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C22H29N3O/c1-24-15-17-25(18-16-24)14-8-13-23-22(26)21(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-7,9-12,21H,8,13-18H2,1H3,(H,23,26)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against type IIA sodium channel in CNaIIA-1 cell line expressed in CHO cells


J Med Chem 39: 1514-20 (1996)


Article DOI: 10.1021/jm950467y
BindingDB Entry DOI: 10.7270/Q2JS9PJC
More data for this
Ligand-Target Pair