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BDBM50530539 CHEMBL4460028

SMILES: CC1(C)CCN1Cc1cccc(F)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1

InChI Key: InChIKey=GFSUVQOECDPIQJ-UHFFFAOYSA-N

Data: 22 IC50  2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 29 hits for monomerid = 50530539   
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
SCN5A/SCN1B


(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
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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 Nav1.5 co-expressed with human SCN1B in HEK293 cells measured after 20 mins at -60 mV holding potential b...

J Med Chem 62: 9618-9641 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01032
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


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


TBA



Citation and Details
More data for this
Ligand-Target Pair
SCN1A/SCN1B


(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
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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
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(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
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n/an/a 5.00E+4n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate incubated for 10 mins in presence of NADPH by LC-MS/MS analysis

J Med Chem 62: 9618-9641 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01032
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(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
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n/an/a 5.00E+4n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate incubated for 10 mins in presence of NADPH by LC-MS/MS analysis

J Med Chem 62: 9618-9641 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01032
More data for this
Ligand-Target Pair
SCN5A/SCN1B


(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
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Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length Nav1.5 co-expressed with human SCN1B in HEK293 cells measured after 20 mins at -60 mV holding potential b...

J Med Chem 62: 9618-9641 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01032
More data for this
Ligand-Target Pair
Sodium channel subunit beta-1


(Homo sapiens)		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
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n/an/a 31n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length Nav1.2 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
More data for this
Ligand-Target Pair
Pregnane X receptor


(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
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n/an/an/an/a 1.18E+4n/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Agonist activity at PXR in human DPX2 cells after 24 hrs by luciferase reporter gene assay

J Med Chem 62: 9618-9641 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01032
More data for this
Ligand-Target Pair
Pregnane X receptor


(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
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n/an/an/an/a 1.18E+4n/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Agonist activity at PXR in human DPX2 cells after 24 hrs by luciferase reporter gene assay

J Med Chem 62: 9618-9641 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01032
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(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
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n/an/a 5.00E+4n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate incubated for 10 mins in presence of NADPH by LC-MS/MS analysis

J Med Chem 62: 9618-9641 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01032
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(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
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n/an/a 5.00E+4n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate incubated for 10 mins in presence of NADPH by LC-MS/MS analysis

J Med Chem 62: 9618-9641 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01032
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)		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
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n/an/a 2.22E+4n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK293 cells by IonWorks barracuda patch clamp method

J Med Chem 62: 9618-9641 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01032
More data for this
Ligand-Target Pair
SCN9A/SCN1B


(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
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n/an/a 664n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length Nav1.7 co-expressed with human SCN1B in HEK293 cells measured after 20 mins at -60 mV holding potential b...

J Med Chem 62: 9618-9641 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01032
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(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
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n/an/a 2.30E+4n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate incubated for 10 mins in presence of NADPH by LC-MS/MS analysis

J Med Chem 62: 9618-9641 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01032
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(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
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n/an/a 4.20E+4n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate incubated for 10 mins in presence of NADPH by LC-MS/MS analysis

J Med Chem 62: 9618-9641 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01032
More data for this
Ligand-Target Pair
SCN1A/SCN1B


(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
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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
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(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
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n/an/a 2.30E+4n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate incubated for 10 mins in presence of NADPH by LC-MS/MS analysis

J Med Chem 62: 9618-9641 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01032
More data for this
Ligand-Target Pair
SCN8A/SCN1B


(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
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n/an/a 60n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length Nav1.6 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
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(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
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n/an/a 5.00E+4n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate incubated for 10 mins in presence of NADPH by LC-MS/MS analysis

J Med Chem 62: 9618-9641 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01032
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)		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
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n/an/a 2.22E+4n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK293 cells by IonWorks barracuda patch clamp method

J Med Chem 62: 9618-9641 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01032
More data for this
Ligand-Target Pair
SCN9A/SCN1B


(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
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n/an/a 664n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length Nav1.7 co-expressed with human SCN1B in HEK293 cells measured after 20 mins at -60 mV holding potential b...

J Med Chem 62: 9618-9641 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01032
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(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
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n/an/a 5.00E+4n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate incubated for 10 mins in presence of NADPH by LC-MS/MS analysis

J Med Chem 62: 9618-9641 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01032
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(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
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n/an/a 4.20E+4n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate incubated for 10 mins in presence of NADPH by LC-MS/MS analysis

J Med Chem 62: 9618-9641 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01032
More data for this
Ligand-Target Pair
Sodium channel subunit beta-1


(Homo sapiens)		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
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n/an/a 31n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length Nav1.2 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
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(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
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n/an/a 346n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(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
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n/an/a 64n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha/beta-1/beta-2


(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
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n/an/a 3.00E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(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
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n/an/a 1.59E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
SCN8A/SCN1B


(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
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Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length Nav1.6 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
More data for this
Ligand-Target Pair