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Compile Data Set for Download or QSAR

Found 14 hits of ic50 for UniProtKB: P35498   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sodium channel protein type 1 subunit alpha/subunit beta-1


(Homo sapiens (Human))
BDBM50530538
PNG
(CHEMBL4580815)
Show SMILES CCC(Nc1ccc(cc1Cl)S(=O)(=O)Nc1nccs1)c1ccccc1
Show InChI InChI=1S/C18H18ClN3O2S2/c1-2-16(13-6-4-3-5-7-13)21-17-9-8-14(12-15(17)19)26(23,24)22-18-20-10-11-25-18/h3-12,16,21H,2H2,1H3,(H,20,22)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length Nav1.1 co-expressed with human SCN1B in HEK293 cells measured after 20 mins at -45 mV holding potential b...


J Med Chem 62: 9618-9641 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01032
BindingDB Entry DOI: 10.7270/Q2Z32344
More data for this
Ligand-Target Pair
Sodium channel protein type 1 subunit alpha/subunit beta-1


(Homo sapiens (Human))
BDBM50530538
PNG
(CHEMBL4580815)
Show SMILES CCC(Nc1ccc(cc1Cl)S(=O)(=O)Nc1nccs1)c1ccccc1
Show InChI InChI=1S/C18H18ClN3O2S2/c1-2-16(13-6-4-3-5-7-13)21-17-9-8-14(12-15(17)19)26(23,24)22-18-20-10-11-25-18/h3-12,16,21H,2H2,1H3,(H,20,22)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length Nav1.1 co-expressed with human SCN1B in HEK293 cells measured after 20 mins at -45 mV holding potential b...


J Med Chem 62: 9618-9641 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01032
BindingDB Entry DOI: 10.7270/Q2Z32344
More data for this
Ligand-Target Pair
Sodium channel protein type 1 subunit alpha/subunit beta-1


(Homo sapiens (Human))
BDBM50530537
PNG
(CHEMBL4471825)
Show SMILES CN(Cc1cccc(F)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1)C(C)(C)C
Show InChI InChI=1S/C22H25F3N4O2S2/c1-22(2,3)29(4)11-14-6-5-7-17(23)16(14)10-26-15-8-18(24)21(19(25)9-15)33(30,31)28-20-12-32-13-27-20/h5-9,12-13,26,28H,10-11H2,1-4H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length Nav1.1 co-expressed with human SCN1B in HEK293 cells measured after 20 mins at -45 mV holding potential b...


J Med Chem 62: 9618-9641 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01032
BindingDB Entry DOI: 10.7270/Q2Z32344
More data for this
Ligand-Target Pair
Sodium channel protein type 1 subunit alpha/subunit beta-1


(Homo sapiens (Human))
BDBM50530540
PNG
(CHEMBL4458508)
Show SMILES CC(N1CCc2cc(ccc12)S(=O)(=O)Nc1nccs1)c1ccccc1
Show InChI InChI=1S/C19H19N3O2S2/c1-14(15-5-3-2-4-6-15)22-11-9-16-13-17(7-8-18(16)22)26(23,24)21-19-20-10-12-25-19/h2-8,10,12-14H,9,11H2,1H3,(H,20,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length Nav1.1 co-expressed with human SCN1B in HEK293 cells measured after 20 mins at -45 mV holding potential b...


J Med Chem 62: 9618-9641 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01032
BindingDB Entry DOI: 10.7270/Q2Z32344
More data for this
Ligand-Target Pair
Sodium channel protein type 1 subunit alpha/subunit beta-1


(Homo sapiens (Human))
BDBM50530535
PNG
(CHEMBL4466858 | US11174268, Example 205)
Show SMILES C[C@H](Nc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1)c1ccccc1F |r|
Show InChI InChI=1S/C17H14F3N3O2S2/c1-10(12-4-2-3-5-13(12)18)22-11-6-14(19)17(15(20)7-11)27(24,25)23-16-8-26-9-21-16/h2-10,22-23H,1H3/t10-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length Nav1.1 co-expressed with human SCN1B in HEK293 cells measured after 20 mins at -45 mV holding potential b...


J Med Chem 62: 9618-9641 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01032
BindingDB Entry DOI: 10.7270/Q2Z32344
More data for this
Ligand-Target Pair
Sodium channel protein type 1 subunit alpha/subunit beta-1


(Homo sapiens (Human))
BDBM50530537
PNG
(CHEMBL4471825)
Show SMILES CN(Cc1cccc(F)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1)C(C)(C)C
Show InChI InChI=1S/C22H25F3N4O2S2/c1-22(2,3)29(4)11-14-6-5-7-17(23)16(14)10-26-15-8-18(24)21(19(25)9-15)33(30,31)28-20-12-32-13-27-20/h5-9,12-13,26,28H,10-11H2,1-4H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length Nav1.1 co-expressed with human SCN1B in HEK293 cells measured after 20 mins at -45 mV holding potential b...


J Med Chem 62: 9618-9641 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01032
BindingDB Entry DOI: 10.7270/Q2Z32344
More data for this
Ligand-Target Pair
Sodium channel protein type 1 subunit alpha/subunit beta-1


(Homo sapiens (Human))
BDBM50530536
PNG
(CHEMBL4580996 | US11174268, Example 336)
Show SMILES C[C@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1)c1cc(F)ccc1F |r|
Show InChI InChI=1S/C17H13ClF3N3O2S2/c1-9(11-4-10(19)2-3-13(11)20)23-15-6-14(21)16(5-12(15)18)28(25,26)24-17-7-27-8-22-17/h2-9,23-24H,1H3/t9-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length Nav1.1 co-expressed with human SCN1B in HEK293 cells measured after 20 mins at -45 mV holding potential b...


J Med Chem 62: 9618-9641 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01032
BindingDB Entry DOI: 10.7270/Q2Z32344
More data for this
Ligand-Target Pair
Sodium channel protein type 1 subunit alpha/subunit beta-1


(Homo sapiens (Human))
BDBM50530535
PNG
(CHEMBL4466858 | US11174268, Example 205)
Show SMILES C[C@H](Nc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1)c1ccccc1F |r|
Show InChI InChI=1S/C17H14F3N3O2S2/c1-10(12-4-2-3-5-13(12)18)22-11-6-14(19)17(15(20)7-11)27(24,25)23-16-8-26-9-21-16/h2-10,22-23H,1H3/t10-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length Nav1.1 co-expressed with human SCN1B in HEK293 cells measured after 20 mins at -45 mV holding potential b...


J Med Chem 62: 9618-9641 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01032
BindingDB Entry DOI: 10.7270/Q2Z32344
More data for this
Ligand-Target Pair
Sodium channel protein type 1 subunit alpha/subunit beta-1


(Homo sapiens (Human))
BDBM50530540
PNG
(CHEMBL4458508)
Show SMILES CC(N1CCc2cc(ccc12)S(=O)(=O)Nc1nccs1)c1ccccc1
Show InChI InChI=1S/C19H19N3O2S2/c1-14(15-5-3-2-4-6-15)22-11-9-16-13-17(7-8-18(16)22)26(23,24)21-19-20-10-12-25-19/h2-8,10,12-14H,9,11H2,1H3,(H,20,21)
PDB

UniProtKB/SwissProt

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



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length Nav1.1 co-expressed with human SCN1B in HEK293 cells measured after 20 mins at -45 mV holding potential b...


J Med Chem 62: 9618-9641 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01032
BindingDB Entry DOI: 10.7270/Q2Z32344
More data for this
Ligand-Target Pair
Sodium channel protein type 1 subunit alpha/subunit beta-1


(Homo sapiens (Human))
BDBM50530539
PNG
(CHEMBL4460028 | US11174268, Example 300)
Show SMILES CC1(C)CCN1Cc1cccc(F)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1
Show InChI InChI=1S/C22H23F3N4O2S2/c1-22(2)6-7-29(22)11-14-4-3-5-17(23)16(14)10-26-15-8-18(24)21(19(25)9-15)33(30,31)28-20-12-32-13-27-20/h3-5,8-9,12-13,26,28H,6-7,10-11H2,1-2H3
PDB

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



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length Nav1.1 co-expressed with human SCN1B in HEK293 cells measured after 20 mins at -45 mV holding potential b...


J Med Chem 62: 9618-9641 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01032
BindingDB Entry DOI: 10.7270/Q2Z32344
More data for this
Ligand-Target Pair
Sodium channel protein type 1 subunit alpha/subunit beta-1


(Homo sapiens (Human))
BDBM50530536
PNG
(CHEMBL4580996 | US11174268, Example 336)
Show SMILES C[C@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1)c1cc(F)ccc1F |r|
Show InChI InChI=1S/C17H13ClF3N3O2S2/c1-9(11-4-10(19)2-3-13(11)20)23-15-6-14(21)16(5-12(15)18)28(25,26)24-17-7-27-8-22-17/h2-9,23-24H,1H3/t9-/m0/s1
PDB

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



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length Nav1.1 co-expressed with human SCN1B in HEK293 cells measured after 20 mins at -45 mV holding potential b...


J Med Chem 62: 9618-9641 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01032
BindingDB Entry DOI: 10.7270/Q2Z32344
More data for this
Ligand-Target Pair
Sodium channel protein type 1 subunit alpha/subunit beta-1


(Homo sapiens (Human))
BDBM50530539
PNG
(CHEMBL4460028 | US11174268, Example 300)
Show SMILES CC1(C)CCN1Cc1cccc(F)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1
Show InChI InChI=1S/C22H23F3N4O2S2/c1-22(2)6-7-29(22)11-14-4-3-5-17(23)16(14)10-26-15-8-18(24)21(19(25)9-15)33(30,31)28-20-12-32-13-27-20/h3-5,8-9,12-13,26,28H,6-7,10-11H2,1-2H3
PDB

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



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length Nav1.1 co-expressed with human SCN1B in HEK293 cells measured after 20 mins at -45 mV holding potential b...


J Med Chem 62: 9618-9641 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01032
BindingDB Entry DOI: 10.7270/Q2Z32344
More data for this
Ligand-Target Pair
Sodium channel protein type 1 subunit alpha/subunit beta-1


(Homo sapiens (Human))
BDBM50530533
PNG
(CHEMBL4435054 | US11174268, Example 185)
Show SMILES CC(C)N(C)Cc1cccc(F)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1
Show InChI InChI=1S/C21H23F3N4O2S2/c1-13(2)28(3)10-14-5-4-6-17(22)16(14)9-25-15-7-18(23)21(19(24)8-15)32(29,30)27-20-11-31-12-26-20/h4-8,11-13,25,27H,9-10H2,1-3H3
PDB

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n/an/a 2.06E+4n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length Nav1.1 co-expressed with human SCN1B in HEK293 cells measured after 20 mins at -45 mV holding potential b...


J Med Chem 62: 9618-9641 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01032
BindingDB Entry DOI: 10.7270/Q2Z32344
More data for this
Ligand-Target Pair
Sodium channel protein type 1 subunit alpha/subunit beta-1


(Homo sapiens (Human))
BDBM50530533
PNG
(CHEMBL4435054 | US11174268, Example 185)
Show SMILES CC(C)N(C)Cc1cccc(F)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1
Show InChI InChI=1S/C21H23F3N4O2S2/c1-13(2)28(3)10-14-5-4-6-17(22)16(14)9-25-15-7-18(23)21(19(24)8-15)32(29,30)27-20-11-31-12-26-20/h4-8,11-13,25,27H,9-10H2,1-3H3
PDB

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n/an/a 2.06E+4n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length Nav1.1 co-expressed with human SCN1B in HEK293 cells measured after 20 mins at -45 mV holding potential b...


J Med Chem 62: 9618-9641 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01032
BindingDB Entry DOI: 10.7270/Q2Z32344
More data for this
Ligand-Target Pair