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BDBM373834 (S)-4-((1-benzylpyrrolidin-3-yl)(methyl)amino)-2-fluoro-5-methyl-N-(thiazol-4-yl)benzenesulfonamide formate::US10246453, Example 101::US10662184, Example 101

SMILES: CN(C1CCN(Cc2ccccc2)C1)c1cc(F)c(cc1C)S(=O)(=O)Nc1cscn1

InChI Key: InChIKey=UCSHINHOAVARGQ-UHFFFAOYSA-N

Data: 9 IC50

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 9 hits for monomerid = 373834   
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 8 subunit alpha


(Homo sapiens (Human))
BDBM373834
PNG
((S)-4-((1-benzylpyrrolidin-3-yl)(methyl)amino)-2-f...)
Show SMILES CN(C1CCN(Cc2ccccc2)C1)c1cc(F)c(cc1C)S(=O)(=O)Nc1cscn1
Show InChI InChI=1S/C22H25FN4O2S2/c1-16-10-21(31(28,29)25-22-14-30-15-24-22)19(23)11-20(16)26(2)18-8-9-27(13-18)12-17-6-4-3-5-7-17/h3-7,10-11,14-15,18,25H,8-9,12-13H2,1-2H3
PDB

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PC sid
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n/an/a 272n/an/an/an/an/an/a



St. Jude Research Hospital



Assay 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...


J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2HM5BRC
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM373834
PNG
((S)-4-((1-benzylpyrrolidin-3-yl)(methyl)amino)-2-f...)
Show SMILES CN(C1CCN(Cc2ccccc2)C1)c1cc(F)c(cc1C)S(=O)(=O)Nc1cscn1
Show InChI InChI=1S/C22H25FN4O2S2/c1-16-10-21(31(28,29)25-22-14-30-15-24-22)19(23)11-20(16)26(2)18-8-9-27(13-18)12-17-6-4-3-5-7-17/h3-7,10-11,14-15,18,25H,8-9,12-13H2,1-2H3
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n/an/a 2.43E+4n/an/an/an/an/an/a



St. Jude Research Hospital



Assay 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...


J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2HM5BRC
More data for this
Ligand-Target Pair
Sodium channel protein type 1 subunit alpha


(Homo sapiens (Human))
BDBM373834
PNG
((S)-4-((1-benzylpyrrolidin-3-yl)(methyl)amino)-2-f...)
Show SMILES CN(C1CCN(Cc2ccccc2)C1)c1cc(F)c(cc1C)S(=O)(=O)Nc1cscn1
Show InChI InChI=1S/C22H25FN4O2S2/c1-16-10-21(31(28,29)25-22-14-30-15-24-22)19(23)11-20(16)26(2)18-8-9-27(13-18)12-17-6-4-3-5-7-17/h3-7,10-11,14-15,18,25H,8-9,12-13H2,1-2H3
PDB

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n/an/a 1.56E+4n/an/an/an/an/an/a



St. Jude Research Hospital



Assay 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...


J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2HM5BRC
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM373834
PNG
((S)-4-((1-benzylpyrrolidin-3-yl)(methyl)amino)-2-f...)
Show SMILES CN(C1CCN(Cc2ccccc2)C1)c1cc(F)c(cc1C)S(=O)(=O)Nc1cscn1
Show InChI InChI=1S/C22H25FN4O2S2/c1-16-10-21(31(28,29)25-22-14-30-15-24-22)19(23)11-20(16)26(2)18-8-9-27(13-18)12-17-6-4-3-5-7-17/h3-7,10-11,14-15,18,25H,8-9,12-13H2,1-2H3
PDB

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n/an/a 54n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
Patch voltage clamp electrophysiology allows for the direct measurement and quantification of block of voltage-gated sodium channels (Nay's), and...


J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2HM5BRC
More data for this
Ligand-Target Pair
Sodium channel protein type 1 subunit alpha


(Homo sapiens (Human))
BDBM373834
PNG
((S)-4-((1-benzylpyrrolidin-3-yl)(methyl)amino)-2-f...)
Show SMILES CN(C1CCN(Cc2ccccc2)C1)c1cc(F)c(cc1C)S(=O)(=O)Nc1cscn1
Show InChI InChI=1S/C22H25FN4O2S2/c1-16-10-21(31(28,29)25-22-14-30-15-24-22)19(23)11-20(16)26(2)18-8-9-27(13-18)12-17-6-4-3-5-7-17/h3-7,10-11,14-15,18,25H,8-9,12-13H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.17E+4n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

US Patent


Assay Description
The following patch voltage clamp electrophysiology studies were performed on representative compounds of the invention using human embryonic kidney ...


US Patent US10662184 (2020)

More data for this
Ligand-Target Pair
Sodium channel protein type 1 subunit alpha


(Homo sapiens (Human))
BDBM373834
PNG
((S)-4-((1-benzylpyrrolidin-3-yl)(methyl)amino)-2-f...)
Show SMILES CN(C1CCN(Cc2ccccc2)C1)c1cc(F)c(cc1C)S(=O)(=O)Nc1cscn1
Show InChI InChI=1S/C22H25FN4O2S2/c1-16-10-21(31(28,29)25-22-14-30-15-24-22)19(23)11-20(16)26(2)18-8-9-27(13-18)12-17-6-4-3-5-7-17/h3-7,10-11,14-15,18,25H,8-9,12-13H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.17E+4n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
Patch voltage clamp electrophysiology allows for the direct measurement and quantification of block of voltage-gated sodium channels (Nay's), and...


J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2HM5BRC
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM373834
PNG
((S)-4-((1-benzylpyrrolidin-3-yl)(methyl)amino)-2-f...)
Show SMILES CN(C1CCN(Cc2ccccc2)C1)c1cc(F)c(cc1C)S(=O)(=O)Nc1cscn1
Show InChI InChI=1S/C22H25FN4O2S2/c1-16-10-21(31(28,29)25-22-14-30-15-24-22)19(23)11-20(16)26(2)18-8-9-27(13-18)12-17-6-4-3-5-7-17/h3-7,10-11,14-15,18,25H,8-9,12-13H2,1-2H3
PDB

Reactome pathway
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n/an/a 54n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

US Patent


Assay Description
The following patch voltage clamp electrophysiology studies were performed on representative compounds of the invention using human embryonic kidney ...


US Patent US10662184 (2020)

More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM373834
PNG
((S)-4-((1-benzylpyrrolidin-3-yl)(methyl)amino)-2-f...)
Show SMILES CN(C1CCN(Cc2ccccc2)C1)c1cc(F)c(cc1C)S(=O)(=O)Nc1cscn1
Show InChI InChI=1S/C22H25FN4O2S2/c1-16-10-21(31(28,29)25-22-14-30-15-24-22)19(23)11-20(16)26(2)18-8-9-27(13-18)12-17-6-4-3-5-7-17/h3-7,10-11,14-15,18,25H,8-9,12-13H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a>3.00E+4n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

US Patent


Assay Description
The following patch voltage clamp electrophysiology studies were performed on representative compounds of the invention using human embryonic kidney ...


US Patent US10662184 (2020)

More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM373834
PNG
((S)-4-((1-benzylpyrrolidin-3-yl)(methyl)amino)-2-f...)
Show SMILES CN(C1CCN(Cc2ccccc2)C1)c1cc(F)c(cc1C)S(=O)(=O)Nc1cscn1
Show InChI InChI=1S/C22H25FN4O2S2/c1-16-10-21(31(28,29)25-22-14-30-15-24-22)19(23)11-20(16)26(2)18-8-9-27(13-18)12-17-6-4-3-5-7-17/h3-7,10-11,14-15,18,25H,8-9,12-13H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a>3.00E+4n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
Patch voltage clamp electrophysiology allows for the direct measurement and quantification of block of voltage-gated sodium channels (Nay's), and...


J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2HM5BRC
More data for this
Ligand-Target Pair