BDBM50530537 CHEMBL4471825

SMILES CN(Cc1cccc(F)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1)C(C)(C)C

InChI Key InChIKey=VOJFVKGTRNXOTJ-UHFFFAOYSA-N

Data  22 IC50  2 EC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 24 hits for monomerid = 50530537   

TargetSodium channel protein type 8 subunit alpha/subunit beta-1(Human)
Xenon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50530537(CHEMBL4471825)
Affinity DataIC50:  40nMAssay 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 DepthDetails ArticlePubMed

TargetCytochrome P450 2C19(Human)
Xenon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50530537(CHEMBL4471825)
Affinity DataIC50:  2.70E+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 DepthDetails ArticlePubMed

TargetSodium channel protein type 8 subunit alpha/subunit beta-1(Human)
Xenon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50530537(CHEMBL4471825)
Affinity DataIC50:  40nMAssay 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 DepthDetails ArticlePubMed

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

Curated by ChEMBL
LigandPNGBDBM50530537(CHEMBL4471825)
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 DepthDetails ArticlePubMed

TargetCytochrome P450 2C19(Human)
Xenon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50530537(CHEMBL4471825)
Affinity DataIC50:  2.70E+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 DepthDetails ArticlePubMed

TargetCytochrome P450 2C9(Human)
Xenon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50530537(CHEMBL4471825)
Affinity DataIC50:  2.90E+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 DepthDetails ArticlePubMed

TargetPotassium voltage-gated channel subfamily H member 2(Human)
Xenon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50530537(CHEMBL4471825)
Affinity DataIC50:  2.63E+4nMAssay Description:Inhibition of human ERG expressed in HEK293 cells by IonWorks barracuda patch clamp methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetSodium channel protein type 9 subunit alpha/subunit beta-1(Human)
Xenon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50530537(CHEMBL4471825)
Affinity DataIC50:  625nMAssay 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 DepthDetails ArticlePubMed

TargetSodium channel subunit beta-1(Human)
Xenon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50530537(CHEMBL4471825)
Affinity DataIC50:  125nMAssay 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 DepthDetails ArticlePubMed

TargetNuclear receptor subfamily 1 group I member 2(Human)
Xenon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50530537(CHEMBL4471825)
Affinity DataEC50:  9.40E+3nMAssay Description:Agonist activity at PXR in human DPX2 cells after 24 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 1A2(Human)
Xenon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50530537(CHEMBL4471825)
Affinity DataIC50:  3.90E+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 DepthDetails ArticlePubMed

TargetCytochrome P450 2D6(Human)
Xenon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50530537(CHEMBL4471825)
Affinity DataIC50:  3.60E+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 DepthDetails ArticlePubMed

TargetPotassium voltage-gated channel subfamily H member 2(Human)
Xenon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50530537(CHEMBL4471825)
Affinity DataIC50:  2.63E+4nMAssay Description:Inhibition of human ERG expressed in HEK293 cells by IonWorks barracuda patch clamp methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetSodium channel subunit beta-1(Human)
Xenon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50530537(CHEMBL4471825)
Affinity DataIC50:  125nMAssay 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 DepthDetails ArticlePubMed

TargetCytochrome P450 1A2(Human)
Xenon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50530537(CHEMBL4471825)
Affinity DataIC50:  3.90E+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 DepthDetails ArticlePubMed

TargetCytochrome P450 2D6(Human)
Xenon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50530537(CHEMBL4471825)
Affinity DataIC50:  3.60E+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 DepthDetails ArticlePubMed

TargetCytochrome P450 3A4(Human)
Xenon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50530537(CHEMBL4471825)
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 DepthDetails ArticlePubMed

TargetSodium channel protein type 9 subunit alpha/subunit beta-1(Human)
Xenon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50530537(CHEMBL4471825)
Affinity DataIC50:  625nMAssay 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 DepthDetails ArticlePubMed

TargetNuclear receptor subfamily 1 group I member 2(Human)
Xenon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50530537(CHEMBL4471825)
Affinity DataEC50:  9.40E+3nMAssay Description:Agonist activity at PXR in human DPX2 cells after 24 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetSodium channel protein type 5 subunit alpha/subunit beta-1(Human)
Xenon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50530537(CHEMBL4471825)
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 DepthDetails ArticlePubMed

TargetSodium channel protein type 5 subunit alpha/subunit beta-1(Human)
Xenon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50530537(CHEMBL4471825)
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 DepthDetails ArticlePubMed

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

Curated by ChEMBL
LigandPNGBDBM50530537(CHEMBL4471825)
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 DepthDetails ArticlePubMed

TargetCytochrome P450 3A4(Human)
Xenon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50530537(CHEMBL4471825)
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 DepthDetails ArticlePubMed

TargetCytochrome P450 2C9(Human)
Xenon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50530537(CHEMBL4471825)
Affinity DataIC50:  2.90E+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 DepthDetails ArticlePubMed