BDBM50530539 CHEMBL4460028::US11174268, Example 300

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

InChI Key InChIKey=GFSUVQOECDPIQJ-UHFFFAOYSA-N

Data  27 IC50  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 29 hits for monomerid = 50530539   

TargetCytochrome P450 2D6(Human)
Xenon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50530539(CHEMBL4460028 | US11174268, Example 300)
Affinity DataIC50: 4.20E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate incubated for 10 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetSodium channel protein type 1 subunit alpha(Human)
Xenon Pharmaceuticals

US Patent
LigandPNGBDBM50530539(CHEMBL4460028 | US11174268, Example 300)
Affinity DataIC50: 1.00E+4nMAssay Description:Patch voltage clamp electrophysiology allows for the direct measurement and quantification of block of voltage-gated sodium channels (NaV's), and...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/3/2022
Entry Details
Go to US Patent

TargetSodium channel protein type 1 subunit alpha(Human)
Xenon Pharmaceuticals

US Patent
LigandPNGBDBM50530539(CHEMBL4460028 | US11174268, Example 300)
Affinity DataIC50: 1.59E+4nMAssay Description:This sodium influx assay employs the use of the cell permeable, sodium sensitive dye ANG2 to quantify sodium ion influx through sodium channels which...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/3/2022
Entry Details
Go to US Patent

TargetSodium channel protein type 5 subunit alpha(Human)
Xenon Pharmaceuticals

US Patent
LigandPNGBDBM50530539(CHEMBL4460028 | US11174268, Example 300)
Affinity DataIC50: 3.00E+4nMAssay Description:This sodium influx assay employs the use of the cell permeable, sodium sensitive dye ANG2 to quantify sodium ion influx through sodium channels which...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/3/2022
Entry Details
Go to US Patent

TargetSodium channel protein type 8 subunit alpha(Human)
Xenon Pharmaceuticals

US Patent
LigandPNGBDBM50530539(CHEMBL4460028 | US11174268, Example 300)
Affinity DataIC50: 64nMAssay Description:Patch voltage clamp electrophysiology allows for the direct measurement and quantification of block of voltage-gated sodium channels (NaV's), and...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/3/2022
Entry Details
Go to US Patent

TargetSodium channel protein type 8 subunit alpha(Human)
Xenon Pharmaceuticals

US Patent
LigandPNGBDBM50530539(CHEMBL4460028 | US11174268, Example 300)
Affinity DataIC50: 346nMAssay Description:This sodium influx assay employs the use of the cell permeable, sodium sensitive dye ANG2 to quantify sodium ion influx through sodium channels which...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/3/2022
Entry Details
Go to US Patent

TargetSodium channel subunit beta-1(Human)
Xenon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50530539(CHEMBL4460028 | US11174268, Example 300)
Affinity DataIC50: 31nMAssay 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...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Xenon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50530539(CHEMBL4460028 | US11174268, Example 300)
Affinity DataIC50: 4.20E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate incubated for 10 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Xenon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50530539(CHEMBL4460028 | US11174268, Example 300)
Affinity DataIC50: 5.00E+4nMAssay 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 analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetSodium channel protein type 9 subunit alpha/subunit beta-1(Human)
Xenon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50530539(CHEMBL4460028 | US11174268, Example 300)
Affinity DataIC50: 664nMAssay 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...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Xenon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50530539(CHEMBL4460028 | US11174268, Example 300)
Affinity DataIC50: 2.22E+4nMAssay Description:Inhibition of human ERG expressed in HEK293 cells by IonWorks barracuda patch clamp methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Xenon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50530539(CHEMBL4460028 | US11174268, Example 300)
Affinity DataIC50: 5.00E+4nMAssay 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 analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetSodium channel protein type 8 subunit alpha/subunit beta-1(Human)
Xenon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50530539(CHEMBL4460028 | US11174268, Example 300)
Affinity DataIC50: 60nMAssay 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...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Xenon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50530539(CHEMBL4460028 | US11174268, Example 300)
Affinity DataIC50: 2.30E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate incubated for 10 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetSodium channel protein type 1 subunit alpha/subunit beta-1(Human)
Xenon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50530539(CHEMBL4460028 | US11174268, Example 300)
Affinity DataIC50: 1.00E+4nMAssay 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...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetSodium channel protein type 5 subunit alpha/subunit beta-1(Human)
Xenon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50530539(CHEMBL4460028 | US11174268, Example 300)
Affinity DataIC50: 1.00E+4nMAssay 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...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Xenon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50530539(CHEMBL4460028 | US11174268, Example 300)
Affinity DataIC50: 2.30E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate incubated for 10 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetSodium channel protein type 9 subunit alpha/subunit beta-1(Human)
Xenon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50530539(CHEMBL4460028 | US11174268, Example 300)
Affinity DataIC50: 664nMAssay 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...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Xenon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50530539(CHEMBL4460028 | US11174268, Example 300)
Affinity DataIC50: 2.22E+4nMAssay Description:Inhibition of human ERG expressed in HEK293 cells by IonWorks barracuda patch clamp methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Xenon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50530539(CHEMBL4460028 | US11174268, Example 300)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate incubated for 10 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Xenon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50530539(CHEMBL4460028 | US11174268, Example 300)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate incubated for 10 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetNuclear receptor subfamily 1 group I member 2(Human)
Xenon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50530539(CHEMBL4460028 | US11174268, Example 300)
Affinity DataEC50:  1.18E+4nMAssay Description:Agonist activity at PXR in human DPX2 cells after 24 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetNuclear receptor subfamily 1 group I member 2(Human)
Xenon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50530539(CHEMBL4460028 | US11174268, Example 300)
Affinity DataEC50:  1.18E+4nMAssay Description:Agonist activity at PXR in human DPX2 cells after 24 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetSodium channel subunit beta-1(Human)
Xenon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50530539(CHEMBL4460028 | US11174268, Example 300)
Affinity DataIC50: 31nMAssay 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...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetSodium channel protein type 5 subunit alpha/subunit beta-1(Human)
Xenon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50530539(CHEMBL4460028 | US11174268, Example 300)
Affinity DataIC50: 1.00E+4nMAssay 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...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Xenon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50530539(CHEMBL4460028 | US11174268, Example 300)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate incubated for 10 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Xenon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50530539(CHEMBL4460028 | US11174268, Example 300)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate incubated for 10 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetSodium channel protein type 1 subunit alpha/subunit beta-1(Human)
Xenon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50530539(CHEMBL4460028 | US11174268, Example 300)
Affinity DataIC50: 1.00E+4nMAssay 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...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetSodium channel protein type 8 subunit alpha/subunit beta-1(Human)
Xenon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50530539(CHEMBL4460028 | US11174268, Example 300)
Affinity DataIC50: 60nMAssay 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...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed