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Compile Data Set for Download or QSAR

Found 69 hits Enz. Inhib. hit(s) with all data for entry = 50044660   
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 9 subunit alpha


(Homo sapiens (Human))		BDBM50024248
PNG
(CHEMBL3325528)
Show SMILES Fc1cc(ccc1Cl)[C@H]1CCNC[C@@H]1COc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1 |r|
Show InChI InChI=1S/C20H18ClF3N4O3S2/c21-14-2-1-11(5-15(14)22)13-3-4-25-8-12(13)9-31-18-6-17(24)19(7-16(18)23)33(29,30)28-20-26-10-27-32-20/h1-2,5-7,10,12-13,25H,3-4,8-9H2,(H,26,27,28)/t12-,13-/m1/s1
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n/an/a 0.900n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK cells assessed as reduction in sodium current at -60 mV holding potential by PatchXpress platform based w...

Bioorg Med Chem Lett 24: 4397-401 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.017
BindingDB Entry DOI: 10.7270/Q2FF3TX9
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50024246
PNG
(CHEMBL3325526 | US9630929, Example 77)
Show SMILES Fc1cc(c(F)cc1OC[C@H]1CNCC[C@@H]1c1ccc(Cl)cc1)S(=O)(=O)Nc1ncns1 |r|
Show InChI InChI=1S/C20H19ClF2N4O3S2/c21-14-3-1-12(2-4-14)15-5-6-24-9-13(15)10-30-18-7-17(23)19(8-16(18)22)32(28,29)27-20-25-11-26-31-20/h1-4,7-8,11,13,15,24H,5-6,9-10H2,(H,25,26,27)/t13-,15-/m1/s1
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n/an/a 1.10n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK cells assessed as reduction in sodium current at -60 mV holding potential by PatchXpress platform based w...

Bioorg Med Chem Lett 24: 4397-401 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.017
BindingDB Entry DOI: 10.7270/Q2FF3TX9
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50024247
PNG
(CHEMBL3325527)
Show SMILES Fc1ccc(cc1F)[C@H]1CCNC[C@@H]1COc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1 |r|
Show InChI InChI=1S/C20H18F4N4O3S2/c21-14-2-1-11(5-15(14)22)13-3-4-25-8-12(13)9-31-18-6-17(24)19(7-16(18)23)33(29,30)28-20-26-10-27-32-20/h1-2,5-7,10,12-13,25H,3-4,8-9H2,(H,26,27,28)/t12-,13-/m1/s1
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n/an/a 2.60n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK cells assessed as reduction in sodium current at -60 mV holding potential by PatchXpress platform based w...

Bioorg Med Chem Lett 24: 4397-401 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.017
BindingDB Entry DOI: 10.7270/Q2FF3TX9
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50024245
PNG
(CHEMBL3325524)
Show SMILES Fc1cc(c(F)cc1OC[C@@H]1CNCC[C@H]1c1ccc(Cl)cc1)S(=O)(=O)Nc1ncns1 |r|
Show InChI InChI=1S/C20H19ClF2N4O3S2/c21-14-3-1-12(2-4-14)15-5-6-24-9-13(15)10-30-18-7-17(23)19(8-16(18)22)32(28,29)27-20-25-11-26-31-20/h1-4,7-8,11,13,15,24H,5-6,9-10H2,(H,25,26,27)/t13-,15-/m0/s1
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n/an/a 3.30n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK cells assessed as reduction in sodium current at -60 mV holding potential by PatchXpress platform based w...

Bioorg Med Chem Lett 24: 4397-401 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.017
BindingDB Entry DOI: 10.7270/Q2FF3TX9
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50024217
PNG
(CHEMBL3325537 | US9630929, Example 85)
Show SMILES CN1CC[C@@H]([C@@H](COc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)C1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C21H21ClF2N4O3S2/c1-28-7-6-16(13-2-4-15(22)5-3-13)14(10-28)11-31-19-8-18(24)20(9-17(19)23)33(29,30)27-21-25-12-26-32-21/h2-5,8-9,12,14,16H,6-7,10-11H2,1H3,(H,25,26,27)/t14-,16-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK cells assessed as reduction in sodium current at -60 mV holding potential by PatchXpress platform based w...

Bioorg Med Chem Lett 24: 4397-401 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.017
BindingDB Entry DOI: 10.7270/Q2FF3TX9
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50024244
PNG
(CHEMBL3325523 | US9630929, Example 46)
Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1 |r|
Show InChI InChI=1S/C20H19F3N4O3S2/c21-14-3-1-12(2-4-14)15-5-6-24-9-13(15)10-30-18-7-17(23)19(8-16(18)22)32(28,29)27-20-25-11-26-31-20/h1-4,7-8,11,13,15,24H,5-6,9-10H2,(H,25,26,27)/t13-,15-/m0/s1
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n/an/a 6.80n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK cells assessed as reduction in sodium current at -60 mV holding potential by PatchXpress platform based w...

Bioorg Med Chem Lett 24: 4397-401 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.017
BindingDB Entry DOI: 10.7270/Q2FF3TX9
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50024229
PNG
(CHEMBL3325538)
Show SMILES FCCN1CC[C@H]([C@H](COc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)C1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C22H22ClF3N4O3S2/c23-16-3-1-14(2-4-16)17-5-7-30(8-6-24)11-15(17)12-33-20-9-19(26)21(10-18(20)25)35(31,32)29-22-27-13-28-34-22/h1-4,9-10,13,15,17H,5-8,11-12H2,(H,27,28,29)/t15-,17-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK cells assessed as reduction in sodium current at -60 mV holding potential by PatchXpress platform based w...

Bioorg Med Chem Lett 24: 4397-401 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.017
BindingDB Entry DOI: 10.7270/Q2FF3TX9
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50024243
PNG
(CHEMBL3325522)
Show SMILES Fc1cc(c(F)cc1OC[C@@H]1CNCC[C@H]1c1ccccc1)S(=O)(=O)Nc1ncns1 |r|
Show InChI InChI=1S/C20H20F2N4O3S2/c21-16-9-19(31(27,28)26-20-24-12-25-30-20)17(22)8-18(16)29-11-14-10-23-7-6-15(14)13-4-2-1-3-5-13/h1-5,8-9,12,14-15,23H,6-7,10-11H2,(H,24,25,26)/t14-,15-/m0/s1
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n/an/a 7.90n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK cells assessed as reduction in sodium current at -60 mV holding potential by PatchXpress platform based w...

Bioorg Med Chem Lett 24: 4397-401 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.017
BindingDB Entry DOI: 10.7270/Q2FF3TX9
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50024216
PNG
(CHEMBL3325536 | US9630929, Example 86)
Show SMILES CN1CC[C@H]([C@H](COc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)C1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C21H21ClF2N4O3S2/c1-28-7-6-16(13-2-4-15(22)5-3-13)14(10-28)11-31-19-8-18(24)20(9-17(19)23)33(29,30)27-21-25-12-26-32-21/h2-5,8-9,12,14,16H,6-7,10-11H2,1H3,(H,25,26,27)/t14-,16-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK cells assessed as reduction in sodium current at -60 mV holding potential by PatchXpress platform based w...

Bioorg Med Chem Lett 24: 4397-401 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.017
BindingDB Entry DOI: 10.7270/Q2FF3TX9
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50024242
PNG
(CHEMBL3325551)
Show SMILES Fc1cnc(NS(=O)(=O)c2cc(F)c(OC[C@H]3CNCC[C@@H]3c3ccc(Cl)cc3)cc2F)nc1 |r|
Show InChI InChI=1S/C22H20ClF3N4O3S/c23-15-3-1-13(2-4-15)17-5-6-27-9-14(17)12-33-20-7-19(26)21(8-18(20)25)34(31,32)30-22-28-10-16(24)11-29-22/h1-4,7-8,10-11,14,17,27H,5-6,9,12H2,(H,28,29,30)/t14-,17-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK cells assessed as reduction in sodium current at -60 mV holding potential by PatchXpress platform based w...

Bioorg Med Chem Lett 24: 4397-401 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.017
BindingDB Entry DOI: 10.7270/Q2FF3TX9
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50024249
PNG
(CHEMBL3325529)
Show SMILES Cc1ccc(cc1)[C@H]1CCNC[C@@H]1COc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1 |r|
Show InChI InChI=1S/C21H22F2N4O3S2/c1-13-2-4-14(5-3-13)16-6-7-24-10-15(16)11-30-19-8-18(23)20(9-17(19)22)32(28,29)27-21-25-12-26-31-21/h2-5,8-9,12,15-16,24H,6-7,10-11H2,1H3,(H,25,26,27)/t15-,16-/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK cells assessed as reduction in sodium current at -60 mV holding potential by PatchXpress platform based w...

Bioorg Med Chem Lett 24: 4397-401 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.017
BindingDB Entry DOI: 10.7270/Q2FF3TX9
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50024235
PNG
(CHEMBL3325544)
Show SMILES Fc1cc(c(F)cc1OC[C@@H]1CNCC[C@H]1c1ccc(Cl)cc1)S(=O)(=O)Nc1ncc(Cl)s1 |r|
Show InChI InChI=1S/C21H19Cl2F2N3O3S2/c22-14-3-1-12(2-4-14)15-5-6-26-9-13(15)11-31-18-7-17(25)19(8-16(18)24)33(29,30)28-21-27-10-20(23)32-21/h1-4,7-8,10,13,15,26H,5-6,9,11H2,(H,27,28)/t13-,15-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK cells assessed as reduction in sodium current at -60 mV holding potential by PatchXpress platform based w...

Bioorg Med Chem Lett 24: 4397-401 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.017
BindingDB Entry DOI: 10.7270/Q2FF3TX9
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50024250
PNG
(CHEMBL2324000)
Show SMILES Cn1nccc1-c1ccccc1Oc1ccc(cc1C#N)S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C20H15N5O3S2/c1-25-17(8-9-23-25)16-4-2-3-5-19(16)28-18-7-6-15(12-14(18)13-21)30(26,27)24-20-22-10-11-29-20/h2-12H,1H3,(H,22,24)
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n/an/a 28n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7

Bioorg Med Chem Lett 24: 4397-401 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.017
BindingDB Entry DOI: 10.7270/Q2FF3TX9
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50024135
PNG
(CHEMBL3325532)
Show SMILES Fc1ccc(cc1)[C@@H]1CNCC[C@H]1COc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1 |r|
Show InChI InChI=1S/C20H19F3N4O3S2/c21-14-3-1-12(2-4-14)15-9-24-6-5-13(15)10-30-18-7-17(23)19(8-16(18)22)32(28,29)27-20-25-11-26-31-20/h1-4,7-8,11,13,15,24H,5-6,9-10H2,(H,25,26,27)/t13-,15-/m0/s1
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n/an/a 32n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK cells assessed as reduction in sodium current at -60 mV holding potential by PatchXpress platform based w...

Bioorg Med Chem Lett 24: 4397-401 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.017
BindingDB Entry DOI: 10.7270/Q2FF3TX9
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50024239
PNG
(CHEMBL3325548)
Show SMILES Fc1cc(c(F)cc1OC[C@@H]1CNCC[C@H]1c1ccc(Cl)cc1)S(=O)(=O)Nc1ccncn1 |r|
Show InChI InChI=1S/C22H21ClF2N4O3S/c23-16-3-1-14(2-4-16)17-5-7-26-11-15(17)12-32-20-9-19(25)21(10-18(20)24)33(30,31)29-22-6-8-27-13-28-22/h1-4,6,8-10,13,15,17,26H,5,7,11-12H2,(H,27,28,29)/t15-,17-/m0/s1
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n/an/a 33n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK cells assessed as reduction in sodium current at -60 mV holding potential by PatchXpress platform based w...

Bioorg Med Chem Lett 24: 4397-401 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.017
BindingDB Entry DOI: 10.7270/Q2FF3TX9
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50024230
PNG
(CHEMBL3325539)
Show SMILES FC(F)CN1CC[C@H]([C@H](COc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)C1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C22H21ClF4N4O3S2/c23-15-3-1-13(2-4-15)16-5-6-31(10-21(26)27)9-14(16)11-34-19-7-18(25)20(8-17(19)24)36(32,33)30-22-28-12-29-35-22/h1-4,7-8,12,14,16,21H,5-6,9-11H2,(H,28,29,30)/t14-,16-/m0/s1
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n/an/a 38n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK cells assessed as reduction in sodium current at -60 mV holding potential by PatchXpress platform based w...

Bioorg Med Chem Lett 24: 4397-401 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.017
BindingDB Entry DOI: 10.7270/Q2FF3TX9
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50024138
PNG
(CHEMBL3325533)
Show SMILES Fc1cc(c(F)cc1OC[C@@H]1CNC[C@H]1c1ccc(Cl)cc1)S(=O)(=O)Nc1ncns1 |r|
Show InChI InChI=1S/C19H17ClF2N4O3S2/c20-13-3-1-11(2-4-13)14-8-23-7-12(14)9-29-17-5-16(22)18(6-15(17)21)31(27,28)26-19-24-10-25-30-19/h1-6,10,12,14,23H,7-9H2,(H,24,25,26)/t12-,14-/m0/s1
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n/an/a 50n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK cells assessed as reduction in sodium current at -60 mV holding potential by PatchXpress platform based w...

Bioorg Med Chem Lett 24: 4397-401 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.017
BindingDB Entry DOI: 10.7270/Q2FF3TX9
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50024132
PNG
(CHEMBL3325530 | US9630929, Example 47)
Show SMILES Fc1ccc(cc1)C1CCNCC1(F)COc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1
Show InChI InChI=1S/C20H18F4N4O3S2/c21-13-3-1-12(2-4-13)14-5-6-25-9-20(14,24)10-31-17-7-16(23)18(8-15(17)22)33(29,30)28-19-26-11-27-32-19/h1-4,7-8,11,14,25H,5-6,9-10H2,(H,26,27,28)
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n/an/a 51n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK cells assessed as reduction in sodium current at -60 mV holding potential by PatchXpress platform based w...

Bioorg Med Chem Lett 24: 4397-401 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.017
BindingDB Entry DOI: 10.7270/Q2FF3TX9
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50024240
PNG
(CHEMBL3325549)
Show SMILES Fc1cc(c(F)cc1OC[C@@H]1CNCC[C@H]1c1ccc(Cl)cc1)S(=O)(=O)Nc1ncccn1 |r|
Show InChI InChI=1S/C22H21ClF2N4O3S/c23-16-4-2-14(3-5-16)17-6-9-26-12-15(17)13-32-20-10-19(25)21(11-18(20)24)33(30,31)29-22-27-7-1-8-28-22/h1-5,7-8,10-11,15,17,26H,6,9,12-13H2,(H,27,28,29)/t15-,17-/m0/s1
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Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK cells assessed as reduction in sodium current at -60 mV holding potential by PatchXpress platform based w...

Bioorg Med Chem Lett 24: 4397-401 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.017
BindingDB Entry DOI: 10.7270/Q2FF3TX9
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50024245
PNG
(CHEMBL3325524)
Show SMILES Fc1cc(c(F)cc1OC[C@@H]1CNCC[C@H]1c1ccc(Cl)cc1)S(=O)(=O)Nc1ncns1 |r|
Show InChI InChI=1S/C20H19ClF2N4O3S2/c21-14-3-1-12(2-4-14)15-5-6-24-9-13(15)10-30-18-7-17(23)19(8-16(18)22)32(28,29)27-20-25-11-26-31-20/h1-4,7-8,11,13,15,24H,5-6,9-10H2,(H,25,26,27)/t13-,15-/m0/s1
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Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK cells assessed as reduction in sodium current at -60 mV holding potential by PatchXpress platform based w...

Bioorg Med Chem Lett 24: 4397-401 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.017
BindingDB Entry DOI: 10.7270/Q2FF3TX9
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50024237
PNG
(CHEMBL3325546)
Show SMILES Fc1ccc(NS(=O)(=O)c2cc(F)c(OC[C@@H]3CNCC[C@H]3c3ccc(Cl)cc3)cc2F)nc1 |r|
Show InChI InChI=1S/C23H21ClF3N3O3S/c24-16-3-1-14(2-4-16)18-7-8-28-11-15(18)13-33-21-9-20(27)22(10-19(21)26)34(31,32)30-23-6-5-17(25)12-29-23/h1-6,9-10,12,15,18,28H,7-8,11,13H2,(H,29,30)/t15-,18-/m0/s1
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Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK cells assessed as reduction in sodium current at -60 mV holding potential by PatchXpress platform based w...

Bioorg Med Chem Lett 24: 4397-401 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.017
BindingDB Entry DOI: 10.7270/Q2FF3TX9
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50024241
PNG
(CHEMBL3325550)
Show SMILES Fc1cnc(NS(=O)(=O)c2cc(F)c(OC[C@@H]3CNCC[C@H]3c3ccc(Cl)cc3)cc2F)nc1 |r|
Show InChI InChI=1S/C22H20ClF3N4O3S/c23-15-3-1-13(2-4-15)17-5-6-27-9-14(17)12-33-20-7-19(26)21(8-18(20)25)34(31,32)30-22-28-10-16(24)11-29-22/h1-4,7-8,10-11,14,17,27H,5-6,9,12H2,(H,28,29,30)/t14-,17-/m0/s1
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Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK cells assessed as reduction in sodium current at -60 mV holding potential by PatchXpress platform based w...

Bioorg Med Chem Lett 24: 4397-401 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.017
BindingDB Entry DOI: 10.7270/Q2FF3TX9
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50024134
PNG
(CHEMBL3325531)
Show SMILES Fc1ccc(cc1)[C@@H]1CC(=O)NC[C@H]1COc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1 |r|
Show InChI InChI=1S/C20H17F3N4O4S2/c21-13-3-1-11(2-4-13)14-5-19(28)24-8-12(14)9-31-17-6-16(23)18(7-15(17)22)33(29,30)27-20-25-10-26-32-20/h1-4,6-7,10,12,14H,5,8-9H2,(H,24,28)(H,25,26,27)/t12-,14-/m0/s1
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Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK cells assessed as reduction in sodium current at -60 mV holding potential by PatchXpress platform based w...

Bioorg Med Chem Lett 24: 4397-401 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.017
BindingDB Entry DOI: 10.7270/Q2FF3TX9
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50024233
PNG
(CHEMBL3325542)
Show SMILES Fc1cc(c(F)cc1OC[C@@H]1CNCC[C@H]1c1ccc(Cl)cc1)S(=O)(=O)Nc1nncs1 |r|
Show InChI InChI=1S/C20H19ClF2N4O3S2/c21-14-3-1-12(2-4-14)15-5-6-24-9-13(15)10-30-18-7-17(23)19(8-16(18)22)32(28,29)27-20-26-25-11-31-20/h1-4,7-8,11,13,15,24H,5-6,9-10H2,(H,26,27)/t13-,15-/m0/s1
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Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK cells assessed as reduction in sodium current at -60 mV holding potential by PatchXpress platform based w...

Bioorg Med Chem Lett 24: 4397-401 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.017
BindingDB Entry DOI: 10.7270/Q2FF3TX9
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50024234
PNG
(CHEMBL3325543)
Show SMILES Cc1cnc(NS(=O)(=O)c2cc(F)c(OC[C@@H]3CNCC[C@H]3c3ccc(Cl)cc3)cc2F)s1 |r|
Show InChI InChI=1S/C22H22ClF2N3O3S2/c1-13-10-27-22(32-13)28-33(29,30)21-9-18(24)20(8-19(21)25)31-12-15-11-26-7-6-17(15)14-2-4-16(23)5-3-14/h2-5,8-10,15,17,26H,6-7,11-12H2,1H3,(H,27,28)/t15-,17-/m0/s1
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Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK cells assessed as reduction in sodium current at -60 mV holding potential by PatchXpress platform based w...

Bioorg Med Chem Lett 24: 4397-401 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.017
BindingDB Entry DOI: 10.7270/Q2FF3TX9
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50024231
PNG
(CHEMBL3325540)
Show SMILES Fc1cc(c(F)cc1OC[C@@H]1CN(CC(F)(F)F)CC[C@H]1c1ccc(Cl)cc1)S(=O)(=O)Nc1ncns1 |r|
Show InChI InChI=1S/C22H20ClF5N4O3S2/c23-15-3-1-13(2-4-15)16-5-6-32(11-22(26,27)28)9-14(16)10-35-19-7-18(25)20(8-17(19)24)37(33,34)31-21-29-12-30-36-21/h1-4,7-8,12,14,16H,5-6,9-11H2,(H,29,30,31)/t14-,16-/m0/s1
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Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK cells assessed as reduction in sodium current at -60 mV holding potential by PatchXpress platform based w...

Bioorg Med Chem Lett 24: 4397-401 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.017
BindingDB Entry DOI: 10.7270/Q2FF3TX9
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50024217
PNG
(CHEMBL3325537 | US9630929, Example 85)
Show SMILES CN1CC[C@@H]([C@@H](COc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)C1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C21H21ClF2N4O3S2/c1-28-7-6-16(13-2-4-15(22)5-3-13)14(10-28)11-31-19-8-18(24)20(9-17(19)23)33(29,30)27-21-25-12-26-32-21/h2-5,8-9,12,14,16H,6-7,10-11H2,1H3,(H,25,26,27)/t14-,16-/m1/s1
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n/an/a 140n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin) using midazolam substrate

Bioorg Med Chem Lett 24: 4397-401 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.017
BindingDB Entry DOI: 10.7270/Q2FF3TX9
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50024246
PNG
(CHEMBL3325526 | US9630929, Example 77)
Show SMILES Fc1cc(c(F)cc1OC[C@H]1CNCC[C@@H]1c1ccc(Cl)cc1)S(=O)(=O)Nc1ncns1 |r|
Show InChI InChI=1S/C20H19ClF2N4O3S2/c21-14-3-1-12(2-4-14)15-5-6-24-9-13(15)10-30-18-7-17(23)19(8-16(18)22)32(28,29)27-20-25-11-26-31-20/h1-4,7-8,11,13,15,24H,5-6,9-10H2,(H,25,26,27)/t13-,15-/m1/s1
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Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin) using midazolam substrate

Bioorg Med Chem Lett 24: 4397-401 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.017
BindingDB Entry DOI: 10.7270/Q2FF3TX9
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50024207
PNG
(CHEMBL3325535)
Show SMILES CC(C)(C)OC(=O)N1CC[C@H]([C@H](COc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)C1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C25H27ClF2N4O5S2/c1-25(2,3)37-24(33)32-9-8-18(15-4-6-17(26)7-5-15)16(12-32)13-36-21-10-20(28)22(11-19(21)27)39(34,35)31-23-29-14-30-38-23/h4-7,10-11,14,16,18H,8-9,12-13H2,1-3H3,(H,29,30,31)/t16-,18-/m0/s1
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Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK cells assessed as reduction in sodium current at -60 mV holding potential by PatchXpress platform based w...

Bioorg Med Chem Lett 24: 4397-401 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.017
BindingDB Entry DOI: 10.7270/Q2FF3TX9
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50024238
PNG
(CHEMBL3325547)
Show SMILES Fc1cc(c(F)cc1OC[C@@H]1CNCC[C@H]1c1ccc(Cl)cc1)S(=O)(=O)Nc1cccnn1 |r|
Show InChI InChI=1S/C22H21ClF2N4O3S/c23-16-5-3-14(4-6-16)17-7-9-26-12-15(17)13-32-20-10-19(25)21(11-18(20)24)33(30,31)29-22-2-1-8-27-28-22/h1-6,8,10-11,15,17,26H,7,9,12-13H2,(H,28,29)/t15-,17-/m0/s1
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Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK cells assessed as reduction in sodium current at -60 mV holding potential by PatchXpress platform based w...

Bioorg Med Chem Lett 24: 4397-401 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.017
BindingDB Entry DOI: 10.7270/Q2FF3TX9
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50024232
PNG
(CHEMBL3325541)
Show SMILES Cc1nsc(NS(=O)(=O)c2cc(F)c(OC[C@@H]3CNCC[C@H]3c3ccc(Cl)cc3)cc2F)n1 |r|
Show InChI InChI=1S/C21H21ClF2N4O3S2/c1-12-26-21(32-27-12)28-33(29,30)20-9-17(23)19(8-18(20)24)31-11-14-10-25-7-6-16(14)13-2-4-15(22)5-3-13/h2-5,8-9,14,16,25H,6-7,10-11H2,1H3,(H,26,27,28)/t14-,16-/m0/s1
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Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK cells assessed as reduction in sodium current at -60 mV holding potential by PatchXpress platform based w...

Bioorg Med Chem Lett 24: 4397-401 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.017
BindingDB Entry DOI: 10.7270/Q2FF3TX9
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50024251
PNG
(CHEMBL3325525)
Show SMILES Fc1cc(c(F)cc1OC[C@H]1CNCC[C@H]1c1ccc(Cl)cc1)S(=O)(=O)Nc1ncns1 |r|
Show InChI InChI=1S/C20H19ClF2N4O3S2/c21-14-3-1-12(2-4-14)15-5-6-24-9-13(15)10-30-18-7-17(23)19(8-16(18)22)32(28,29)27-20-25-11-26-31-20/h1-4,7-8,11,13,15,24H,5-6,9-10H2,(H,25,26,27)/t13-,15+/m1/s1
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Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK cells assessed as reduction in sodium current at -60 mV holding potential by PatchXpress platform based w...

Bioorg Med Chem Lett 24: 4397-401 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.017
BindingDB Entry DOI: 10.7270/Q2FF3TX9
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))		BDBM50024246
PNG
(CHEMBL3325526 | US9630929, Example 77)
Show SMILES Fc1cc(c(F)cc1OC[C@H]1CNCC[C@@H]1c1ccc(Cl)cc1)S(=O)(=O)Nc1ncns1 |r|
Show InChI InChI=1S/C20H19ClF2N4O3S2/c21-14-3-1-12(2-4-14)15-5-6-24-9-13(15)10-30-18-7-17(23)19(8-16(18)22)32(28,29)27-20-25-11-26-31-20/h1-4,7-8,11,13,15,24H,5-6,9-10H2,(H,25,26,27)/t13-,15-/m1/s1
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Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin) using bufuralol substrate

Bioorg Med Chem Lett 24: 4397-401 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.017
BindingDB Entry DOI: 10.7270/Q2FF3TX9
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))		BDBM50024217
PNG
(CHEMBL3325537 | US9630929, Example 85)
Show SMILES CN1CC[C@@H]([C@@H](COc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)C1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C21H21ClF2N4O3S2/c1-28-7-6-16(13-2-4-15(22)5-3-13)14(10-28)11-31-19-8-18(24)20(9-17(19)23)33(29,30)27-21-25-12-26-32-21/h2-5,8-9,12,14,16H,6-7,10-11H2,1H3,(H,25,26,27)/t14-,16-/m1/s1
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Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin) using bufuralol substrate

Bioorg Med Chem Lett 24: 4397-401 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.017
BindingDB Entry DOI: 10.7270/Q2FF3TX9
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50024199
PNG
(CHEMBL3325534)
Show SMILES Fc1cc(c(F)cc1OC[C@@H]1CCCC[C@H]1c1ccc(Cl)cc1)S(=O)(=O)Nc1ncns1 |r|
Show InChI InChI=1S/C21H20ClF2N3O3S2/c22-15-7-5-13(6-8-15)16-4-2-1-3-14(16)11-30-19-9-18(24)20(10-17(19)23)32(28,29)27-21-25-12-26-31-21/h5-10,12,14,16H,1-4,11H2,(H,25,26,27)/t14-,16-/m0/s1
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n/an/a 280n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK cells assessed as reduction in sodium current at -60 mV holding potential by PatchXpress platform based w...

Bioorg Med Chem Lett 24: 4397-401 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.017
BindingDB Entry DOI: 10.7270/Q2FF3TX9
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50024216
PNG
(CHEMBL3325536 | US9630929, Example 86)
Show SMILES CN1CC[C@H]([C@H](COc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)C1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C21H21ClF2N4O3S2/c1-28-7-6-16(13-2-4-15(22)5-3-13)14(10-28)11-31-19-8-18(24)20(9-17(19)23)33(29,30)27-21-25-12-26-32-21/h2-5,8-9,12,14,16H,6-7,10-11H2,1H3,(H,25,26,27)/t14-,16-/m0/s1
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n/an/a 331n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK cells assessed as reduction in sodium current at -60 mV holding potential by PatchXpress platform based w...

Bioorg Med Chem Lett 24: 4397-401 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.017
BindingDB Entry DOI: 10.7270/Q2FF3TX9
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))		BDBM50024246
PNG
(CHEMBL3325526 | US9630929, Example 77)
Show SMILES Fc1cc(c(F)cc1OC[C@H]1CNCC[C@@H]1c1ccc(Cl)cc1)S(=O)(=O)Nc1ncns1 |r|
Show InChI InChI=1S/C20H19ClF2N4O3S2/c21-14-3-1-12(2-4-14)15-5-6-24-9-13(15)10-30-18-7-17(23)19(8-16(18)22)32(28,29)27-20-25-11-26-31-20/h1-4,7-8,11,13,15,24H,5-6,9-10H2,(H,25,26,27)/t13-,15-/m1/s1
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n/an/a 630n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin) using diclofenac substrate

Bioorg Med Chem Lett 24: 4397-401 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.017
BindingDB Entry DOI: 10.7270/Q2FF3TX9
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))		BDBM50024217
PNG
(CHEMBL3325537 | US9630929, Example 85)
Show SMILES CN1CC[C@@H]([C@@H](COc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)C1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C21H21ClF2N4O3S2/c1-28-7-6-16(13-2-4-15(22)5-3-13)14(10-28)11-31-19-8-18(24)20(9-17(19)23)33(29,30)27-21-25-12-26-32-21/h2-5,8-9,12,14,16H,6-7,10-11H2,1H3,(H,25,26,27)/t14-,16-/m1/s1
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n/an/a 880n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin) using diclofenac substrate

Bioorg Med Chem Lett 24: 4397-401 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.017
BindingDB Entry DOI: 10.7270/Q2FF3TX9
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50024236
PNG
(CHEMBL3325545)
Show SMILES Cc1cc(NS(=O)(=O)c2cc(F)c(OC[C@@H]3CNCC[C@H]3c3ccc(Cl)cc3)cc2F)no1 |r|
Show InChI InChI=1S/C22H22ClF2N3O4S/c1-13-8-22(27-32-13)28-33(29,30)21-10-18(24)20(9-19(21)25)31-12-15-11-26-7-6-17(15)14-2-4-16(23)5-3-14/h2-5,8-10,15,17,26H,6-7,11-12H2,1H3,(H,27,28)/t15-,17-/m0/s1
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n/an/a 1.89E+3n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK cells assessed as reduction in sodium current at -60 mV holding potential by PatchXpress platform based w...

Bioorg Med Chem Lett 24: 4397-401 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.017
BindingDB Entry DOI: 10.7270/Q2FF3TX9
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))		BDBM50024231
PNG
(CHEMBL3325540)
Show SMILES Fc1cc(c(F)cc1OC[C@@H]1CN(CC(F)(F)F)CC[C@H]1c1ccc(Cl)cc1)S(=O)(=O)Nc1ncns1 |r|
Show InChI InChI=1S/C22H20ClF5N4O3S2/c23-15-3-1-13(2-4-15)16-5-6-32(11-22(26,27)28)9-14(16)10-35-19-7-18(25)20(8-17(19)24)37(33,34)31-21-29-12-30-36-21/h1-4,7-8,12,14,16H,5-6,9-11H2,(H,29,30,31)/t14-,16-/m0/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 expressed in HEK cells assessed as reduction in sodium current at -60 mV holding potential by PatchXpress platform based w...

Bioorg Med Chem Lett 24: 4397-401 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.017
BindingDB Entry DOI: 10.7270/Q2FF3TX9
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))		BDBM50024246
PNG
(CHEMBL3325526 | US9630929, Example 77)
Show SMILES Fc1cc(c(F)cc1OC[C@H]1CNCC[C@@H]1c1ccc(Cl)cc1)S(=O)(=O)Nc1ncns1 |r|
Show InChI InChI=1S/C20H19ClF2N4O3S2/c21-14-3-1-12(2-4-14)15-5-6-24-9-13(15)10-30-18-7-17(23)19(8-16(18)22)32(28,29)27-20-25-11-26-31-20/h1-4,7-8,11,13,15,24H,5-6,9-10H2,(H,25,26,27)/t13-,15-/m1/s1
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n/an/a 5.20E+3n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 expressed in HEK cells assessed as reduction in sodium current at -60 mV holding potential by PatchXpress platform based w...

Bioorg Med Chem Lett 24: 4397-401 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.017
BindingDB Entry DOI: 10.7270/Q2FF3TX9
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))		BDBM50024135
PNG
(CHEMBL3325532)
Show SMILES Fc1ccc(cc1)[C@@H]1CNCC[C@H]1COc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1 |r|
Show InChI InChI=1S/C20H19F3N4O3S2/c21-14-3-1-12(2-4-14)15-9-24-6-5-13(15)10-30-18-7-17(23)19(8-16(18)22)32(28,29)27-20-25-11-26-31-20/h1-4,7-8,11,13,15,24H,5-6,9-10H2,(H,25,26,27)/t13-,15-/m0/s1
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n/an/a 5.90E+3n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 expressed in HEK cells assessed as reduction in sodium current at -60 mV holding potential by PatchXpress platform based w...

Bioorg Med Chem Lett 24: 4397-401 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.017
BindingDB Entry DOI: 10.7270/Q2FF3TX9
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))		BDBM50024245
PNG
(CHEMBL3325524)
Show SMILES Fc1cc(c(F)cc1OC[C@@H]1CNCC[C@H]1c1ccc(Cl)cc1)S(=O)(=O)Nc1ncns1 |r|
Show InChI InChI=1S/C20H19ClF2N4O3S2/c21-14-3-1-12(2-4-14)15-5-6-24-9-13(15)10-30-18-7-17(23)19(8-16(18)22)32(28,29)27-20-25-11-26-31-20/h1-4,7-8,11,13,15,24H,5-6,9-10H2,(H,25,26,27)/t13-,15-/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 human Nav1.5 expressed in HEK cells assessed as reduction in sodium current at -60 mV holding potential by PatchXpress platform based w...

Bioorg Med Chem Lett 24: 4397-401 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.017
BindingDB Entry DOI: 10.7270/Q2FF3TX9
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))		BDBM50024247
PNG
(CHEMBL3325527)
Show SMILES Fc1ccc(cc1F)[C@H]1CCNC[C@@H]1COc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1 |r|
Show InChI InChI=1S/C20H18F4N4O3S2/c21-14-2-1-11(5-15(14)22)13-3-4-25-8-12(13)9-31-18-6-17(24)19(7-16(18)23)33(29,30)28-20-26-10-27-32-20/h1-2,5-7,10,12-13,25H,3-4,8-9H2,(H,26,27,28)/t12-,13-/m1/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 human Nav1.5 expressed in HEK cells assessed as reduction in sodium current at -60 mV holding potential by PatchXpress platform based w...

Bioorg Med Chem Lett 24: 4397-401 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.017
BindingDB Entry DOI: 10.7270/Q2FF3TX9
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))		BDBM50024248
PNG
(CHEMBL3325528)
Show SMILES Fc1cc(ccc1Cl)[C@H]1CCNC[C@@H]1COc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1 |r|
Show InChI InChI=1S/C20H18ClF3N4O3S2/c21-14-2-1-11(5-15(14)22)13-3-4-25-8-12(13)9-31-18-6-17(24)19(7-16(18)23)33(29,30)28-20-26-10-27-32-20/h1-2,5-7,10,12-13,25H,3-4,8-9H2,(H,26,27,28)/t12-,13-/m1/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 human Nav1.5 expressed in HEK cells assessed as reduction in sodium current at -60 mV holding potential by PatchXpress platform based w...

Bioorg Med Chem Lett 24: 4397-401 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.017
BindingDB Entry DOI: 10.7270/Q2FF3TX9
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))		BDBM50024249
PNG
(CHEMBL3325529)
Show SMILES Cc1ccc(cc1)[C@H]1CCNC[C@@H]1COc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1 |r|
Show InChI InChI=1S/C21H22F2N4O3S2/c1-13-2-4-14(5-3-13)16-6-7-24-10-15(16)11-30-19-8-18(23)20(9-17(19)22)32(28,29)27-21-25-12-26-31-21/h2-5,8-9,12,15-16,24H,6-7,10-11H2,1H3,(H,25,26,27)/t15-,16-/m1/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 human Nav1.5 expressed in HEK cells assessed as reduction in sodium current at -60 mV holding potential by PatchXpress platform based w...

Bioorg Med Chem Lett 24: 4397-401 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.017
BindingDB Entry DOI: 10.7270/Q2FF3TX9
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))		BDBM50024132
PNG
(CHEMBL3325530 | US9630929, Example 47)
Show SMILES Fc1ccc(cc1)C1CCNCC1(F)COc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1
Show InChI InChI=1S/C20H18F4N4O3S2/c21-13-3-1-12(2-4-13)14-5-6-25-9-20(14,24)10-31-17-7-16(23)18(8-15(17)22)33(29,30)28-19-26-11-27-32-19/h1-4,7-8,11,14,25H,5-6,9-10H2,(H,26,27,28)
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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 human Nav1.5 expressed in HEK cells assessed as reduction in sodium current at -60 mV holding potential by PatchXpress platform based w...

Bioorg Med Chem Lett 24: 4397-401 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.017
BindingDB Entry DOI: 10.7270/Q2FF3TX9
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))		BDBM50024134
PNG
(CHEMBL3325531)
Show SMILES Fc1ccc(cc1)[C@@H]1CC(=O)NC[C@H]1COc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1 |r|
Show InChI InChI=1S/C20H17F3N4O4S2/c21-13-3-1-11(2-4-13)14-5-19(28)24-8-12(14)9-31-17-6-16(23)18(7-15(17)22)33(29,30)27-20-25-10-26-32-20/h1-4,6-7,10,12,14H,5,8-9H2,(H,24,28)(H,25,26,27)/t12-,14-/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 human Nav1.5 expressed in HEK cells assessed as reduction in sodium current at -60 mV holding potential by PatchXpress platform based w...

Bioorg Med Chem Lett 24: 4397-401 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.017
BindingDB Entry DOI: 10.7270/Q2FF3TX9
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))		BDBM50024216
PNG
(CHEMBL3325536 | US9630929, Example 86)
Show SMILES CN1CC[C@H]([C@H](COc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)C1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C21H21ClF2N4O3S2/c1-28-7-6-16(13-2-4-15(22)5-3-13)14(10-28)11-31-19-8-18(24)20(9-17(19)23)33(29,30)27-21-25-12-26-32-21/h2-5,8-9,12,14,16H,6-7,10-11H2,1H3,(H,25,26,27)/t14-,16-/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 human Nav1.5 expressed in HEK cells assessed as reduction in sodium current at -60 mV holding potential by PatchXpress platform based w...

Bioorg Med Chem Lett 24: 4397-401 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.017
BindingDB Entry DOI: 10.7270/Q2FF3TX9
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))		BDBM50024217
PNG
(CHEMBL3325537 | US9630929, Example 85)
Show SMILES CN1CC[C@@H]([C@@H](COc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)C1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C21H21ClF2N4O3S2/c1-28-7-6-16(13-2-4-15(22)5-3-13)14(10-28)11-31-19-8-18(24)20(9-17(19)23)33(29,30)27-21-25-12-26-32-21/h2-5,8-9,12,14,16H,6-7,10-11H2,1H3,(H,25,26,27)/t14-,16-/m1/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 human Nav1.5 expressed in HEK cells assessed as reduction in sodium current at -60 mV holding potential by PatchXpress platform based w...

Bioorg Med Chem Lett 24: 4397-401 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.017
BindingDB Entry DOI: 10.7270/Q2FF3TX9
More data for this
Ligand-Target Pair
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