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BDBM373968 (S)-2,6-difluoro-4-((1-(3-fluorobenzyl)pyrrolidin-3-yl)(methyl)amino)-3-methyl-N-(thiazol-4-yl)benzenesulfonamide formate::US10246453, Example 235::US10815229, Example 235

SMILES: CN([C@H]1CCN(Cc2cccc(F)c2)C1)c1cc(F)c(c(F)c1C)S(=O)(=O)Nc1cscn1

InChI Key: InChIKey=MCZUVSMKLIOVFW-KRWDZBQOSA-N

Data: 6 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 6 hits for monomerid = 373968   
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))
BDBM373968
PNG
((S)-2,6-difluoro-4-((1-(3-fluorobenzyl)pyrrolidin-...)
Show SMILES CN([C@H]1CCN(Cc2cccc(F)c2)C1)c1cc(F)c(c(F)c1C)S(=O)(=O)Nc1cscn1 |r|
Show InChI InChI=1S/C22H23F3N4O2S2/c1-14-19(9-18(24)22(21(14)25)33(30,31)27-20-12-32-13-26-20)28(2)17-6-7-29(11-17)10-15-4-3-5-16(23)8-15/h3-5,8-9,12-13,17,27H,6-7,10-11H2,1-2H3/t17-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 47n/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))
BDBM373968
PNG
((S)-2,6-difluoro-4-((1-(3-fluorobenzyl)pyrrolidin-...)
Show SMILES CN([C@H]1CCN(Cc2cccc(F)c2)C1)c1cc(F)c(c(F)c1C)S(=O)(=O)Nc1cscn1 |r|
Show InChI InChI=1S/C22H23F3N4O2S2/c1-14-19(9-18(24)22(21(14)25)33(30,31)27-20-12-32-13-26-20)28(2)17-6-7-29(11-17)10-15-4-3-5-16(23)8-15/h3-5,8-9,12-13,17,27H,6-7,10-11H2,1-2H3/t17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.54E+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 alpha subunit


(Homo sapiens (Human))
BDBM373968
PNG
((S)-2,6-difluoro-4-((1-(3-fluorobenzyl)pyrrolidin-...)
Show SMILES CN([C@H]1CCN(Cc2cccc(F)c2)C1)c1cc(F)c(c(F)c1C)S(=O)(=O)Nc1cscn1 |r|
Show InChI InChI=1S/C22H23F3N4O2S2/c1-14-19(9-18(24)22(21(14)25)33(30,31)27-20-12-32-13-26-20)28(2)17-6-7-29(11-17)10-15-4-3-5-16(23)8-15/h3-5,8-9,12-13,17,27H,6-7,10-11H2,1-2H3/t17-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.02E+4n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

US Patent


Assay Description
In general, Trex HEK293 cells were stably transfected with an inducible expression vector containing the full-length cDNA coding for the desired huma...


US Patent US10815229 (2020)

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


(Homo sapiens (Human))
BDBM373968
PNG
((S)-2,6-difluoro-4-((1-(3-fluorobenzyl)pyrrolidin-...)
Show SMILES CN([C@H]1CCN(Cc2cccc(F)c2)C1)c1cc(F)c(c(F)c1C)S(=O)(=O)Nc1cscn1 |r|
Show InChI InChI=1S/C22H23F3N4O2S2/c1-14-19(9-18(24)22(21(14)25)33(30,31)27-20-12-32-13-26-20)28(2)17-6-7-29(11-17)10-15-4-3-5-16(23)8-15/h3-5,8-9,12-13,17,27H,6-7,10-11H2,1-2H3/t17-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 47n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

US Patent


Assay Description
In general, Trex HEK293 cells were stably transfected with an inducible expression vector containing the full-length cDNA coding for the desired huma...


US Patent US10815229 (2020)

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


(Homo sapiens (Human))
BDBM373968
PNG
((S)-2,6-difluoro-4-((1-(3-fluorobenzyl)pyrrolidin-...)
Show SMILES CN([C@H]1CCN(Cc2cccc(F)c2)C1)c1cc(F)c(c(F)c1C)S(=O)(=O)Nc1cscn1 |r|
Show InChI InChI=1S/C22H23F3N4O2S2/c1-14-19(9-18(24)22(21(14)25)33(30,31)27-20-12-32-13-26-20)28(2)17-6-7-29(11-17)10-15-4-3-5-16(23)8-15/h3-5,8-9,12-13,17,27H,6-7,10-11H2,1-2H3/t17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.54E+4n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

US Patent


Assay Description
In general, Trex HEK293 cells were stably transfected with an inducible expression vector containing the full-length cDNA coding for the desired huma...


US Patent US10815229 (2020)

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


(Homo sapiens (Human))
BDBM373968
PNG
((S)-2,6-difluoro-4-((1-(3-fluorobenzyl)pyrrolidin-...)
Show SMILES CN([C@H]1CCN(Cc2cccc(F)c2)C1)c1cc(F)c(c(F)c1C)S(=O)(=O)Nc1cscn1 |r|
Show InChI InChI=1S/C22H23F3N4O2S2/c1-14-19(9-18(24)22(21(14)25)33(30,31)27-20-12-32-13-26-20)28(2)17-6-7-29(11-17)10-15-4-3-5-16(23)8-15/h3-5,8-9,12-13,17,27H,6-7,10-11H2,1-2H3/t17-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.02E+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