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BDBM373765 (S)-3-chloro-4-((1-(3-chloro-2-fluorobenzyl)pyrrolidin-3-yl)(methyl)amino)-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide::US10246453, Example 32::US10815229, Example 32

SMILES: CN([C@H]1CCN(Cc2cccc(Cl)c2F)C1)c1ccc(cc1Cl)S(=O)(=O)Nc1ncns1

InChI Key: InChIKey=KUQDSRILSXRRIC-AWEZNQCLSA-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 = 373765   
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))
BDBM373765
PNG
((S)-3-chloro-4-((1-(3-chloro-2-fluorobenzyl)pyrrol...)
Show SMILES CN([C@H]1CCN(Cc2cccc(Cl)c2F)C1)c1ccc(cc1Cl)S(=O)(=O)Nc1ncns1 |r|
Show InChI InChI=1S/C20H20Cl2FN5O2S2/c1-27(14-7-8-28(11-14)10-13-3-2-4-16(21)19(13)23)18-6-5-15(9-17(18)22)32(29,30)26-20-24-12-25-31-20/h2-6,9,12,14H,7-8,10-11H2,1H3,(H,24,25,26)/t14-/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))
BDBM373765
PNG
((S)-3-chloro-4-((1-(3-chloro-2-fluorobenzyl)pyrrol...)
Show SMILES CN([C@H]1CCN(Cc2cccc(Cl)c2F)C1)c1ccc(cc1Cl)S(=O)(=O)Nc1ncns1 |r|
Show InChI InChI=1S/C20H20Cl2FN5O2S2/c1-27(14-7-8-28(11-14)10-13-3-2-4-16(21)19(13)23)18-6-5-15(9-17(18)22)32(29,30)26-20-24-12-25-31-20/h2-6,9,12,14H,7-8,10-11H2,1H3,(H,24,25,26)/t14-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 7.41E+3n/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))
BDBM373765
PNG
((S)-3-chloro-4-((1-(3-chloro-2-fluorobenzyl)pyrrol...)
Show SMILES CN([C@H]1CCN(Cc2cccc(Cl)c2F)C1)c1ccc(cc1Cl)S(=O)(=O)Nc1ncns1 |r|
Show InChI InChI=1S/C20H20Cl2FN5O2S2/c1-27(14-7-8-28(11-14)10-13-3-2-4-16(21)19(13)23)18-6-5-15(9-17(18)22)32(29,30)26-20-24-12-25-31-20/h2-6,9,12,14H,7-8,10-11H2,1H3,(H,24,25,26)/t14-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.55E+3n/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))
BDBM373765
PNG
((S)-3-chloro-4-((1-(3-chloro-2-fluorobenzyl)pyrrol...)
Show SMILES CN([C@H]1CCN(Cc2cccc(Cl)c2F)C1)c1ccc(cc1Cl)S(=O)(=O)Nc1ncns1 |r|
Show InChI InChI=1S/C20H20Cl2FN5O2S2/c1-27(14-7-8-28(11-14)10-13-3-2-4-16(21)19(13)23)18-6-5-15(9-17(18)22)32(29,30)26-20-24-12-25-31-20/h2-6,9,12,14H,7-8,10-11H2,1H3,(H,24,25,26)/t14-/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))
BDBM373765
PNG
((S)-3-chloro-4-((1-(3-chloro-2-fluorobenzyl)pyrrol...)
Show SMILES CN([C@H]1CCN(Cc2cccc(Cl)c2F)C1)c1ccc(cc1Cl)S(=O)(=O)Nc1ncns1 |r|
Show InChI InChI=1S/C20H20Cl2FN5O2S2/c1-27(14-7-8-28(11-14)10-13-3-2-4-16(21)19(13)23)18-6-5-15(9-17(18)22)32(29,30)26-20-24-12-25-31-20/h2-6,9,12,14H,7-8,10-11H2,1H3,(H,24,25,26)/t14-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 7.41E+3n/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))
BDBM373765
PNG
((S)-3-chloro-4-((1-(3-chloro-2-fluorobenzyl)pyrrol...)
Show SMILES CN([C@H]1CCN(Cc2cccc(Cl)c2F)C1)c1ccc(cc1Cl)S(=O)(=O)Nc1ncns1 |r|
Show InChI InChI=1S/C20H20Cl2FN5O2S2/c1-27(14-7-8-28(11-14)10-13-3-2-4-16(21)19(13)23)18-6-5-15(9-17(18)22)32(29,30)26-20-24-12-25-31-20/h2-6,9,12,14H,7-8,10-11H2,1H3,(H,24,25,26)/t14-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.55E+3n/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