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BDBM373821 (R)-5-chloro-2-fluoro-4-(1-(3-methylbenzyl)pyrrolidin-3-ylamino)-N-(thiazol-2-yl)benzenesulfonamide::US10246453, Example 88::US10815229, Example 88

SMILES: Cc1cccc(CN2CC[C@H](C2)Nc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)c1

InChI Key: InChIKey=SNOOPGKUOHRVSG-MRXNPFEDSA-N

Data: 10 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 10 hits for monomerid = 373821   
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))
BDBM373821
PNG
((R)-5-chloro-2-fluoro-4-(1-(3-methylbenzyl)pyrroli...)
Show SMILES Cc1cccc(CN2CC[C@H](C2)Nc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)c1
Show InChI InChI=1S/C21H22ClFN4O2S2/c1-14-3-2-4-15(9-14)12-27-7-5-16(13-27)25-19-11-18(23)20(10-17(19)22)31(28,29)26-21-24-6-8-30-21/h2-4,6,8-11,16,25H,5,7,12-13H2,1H3,(H,24,26)/t16-/m1/s1
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n/an/a 381n/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))
BDBM373821
PNG
((R)-5-chloro-2-fluoro-4-(1-(3-methylbenzyl)pyrroli...)
Show SMILES Cc1cccc(CN2CC[C@H](C2)Nc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)c1
Show InChI InChI=1S/C21H22ClFN4O2S2/c1-14-3-2-4-15(9-14)12-27-7-5-16(13-27)25-19-11-18(23)20(10-17(19)22)31(28,29)26-21-24-6-8-30-21/h2-4,6,8-11,16,25H,5,7,12-13H2,1H3,(H,24,26)/t16-/m1/s1
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n/an/a 5.91E+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))
BDBM373821
PNG
((R)-5-chloro-2-fluoro-4-(1-(3-methylbenzyl)pyrroli...)
Show SMILES Cc1cccc(CN2CC[C@H](C2)Nc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)c1
Show InChI InChI=1S/C21H22ClFN4O2S2/c1-14-3-2-4-15(9-14)12-27-7-5-16(13-27)25-19-11-18(23)20(10-17(19)22)31(28,29)26-21-24-6-8-30-21/h2-4,6,8-11,16,25H,5,7,12-13H2,1H3,(H,24,26)/t16-/m1/s1
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n/an/a 1.59E+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 protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM373821
PNG
((R)-5-chloro-2-fluoro-4-(1-(3-methylbenzyl)pyrroli...)
Show SMILES Cc1cccc(CN2CC[C@H](C2)Nc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)c1
Show InChI InChI=1S/C21H22ClFN4O2S2/c1-14-3-2-4-15(9-14)12-27-7-5-16(13-27)25-19-11-18(23)20(10-17(19)22)31(28,29)26-21-24-6-8-30-21/h2-4,6,8-11,16,25H,5,7,12-13H2,1H3,(H,24,26)/t16-/m1/s1
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n/an/a 39n/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 alpha subunit


(Homo sapiens (Human))
BDBM373821
PNG
((R)-5-chloro-2-fluoro-4-(1-(3-methylbenzyl)pyrroli...)
Show SMILES Cc1cccc(CN2CC[C@H](C2)Nc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)c1
Show InChI InChI=1S/C21H22ClFN4O2S2/c1-14-3-2-4-15(9-14)12-27-7-5-16(13-27)25-19-11-18(23)20(10-17(19)22)31(28,29)26-21-24-6-8-30-21/h2-4,6,8-11,16,25H,5,7,12-13H2,1H3,(H,24,26)/t16-/m1/s1
PDB

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antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 1.25E+3n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

US Patent


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


US Patent US10815229 (2020)

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


(Homo sapiens (Human))
BDBM373821
PNG
((R)-5-chloro-2-fluoro-4-(1-(3-methylbenzyl)pyrroli...)
Show SMILES Cc1cccc(CN2CC[C@H](C2)Nc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)c1
Show InChI InChI=1S/C21H22ClFN4O2S2/c1-14-3-2-4-15(9-14)12-27-7-5-16(13-27)25-19-11-18(23)20(10-17(19)22)31(28,29)26-21-24-6-8-30-21/h2-4,6,8-11,16,25H,5,7,12-13H2,1H3,(H,24,26)/t16-/m1/s1
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n/an/a 381n/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))
BDBM373821
PNG
((R)-5-chloro-2-fluoro-4-(1-(3-methylbenzyl)pyrroli...)
Show SMILES Cc1cccc(CN2CC[C@H](C2)Nc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)c1
Show InChI InChI=1S/C21H22ClFN4O2S2/c1-14-3-2-4-15(9-14)12-27-7-5-16(13-27)25-19-11-18(23)20(10-17(19)22)31(28,29)26-21-24-6-8-30-21/h2-4,6,8-11,16,25H,5,7,12-13H2,1H3,(H,24,26)/t16-/m1/s1
PDB

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n/an/a 5.91E+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))
BDBM373821
PNG
((R)-5-chloro-2-fluoro-4-(1-(3-methylbenzyl)pyrroli...)
Show SMILES Cc1cccc(CN2CC[C@H](C2)Nc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)c1
Show InChI InChI=1S/C21H22ClFN4O2S2/c1-14-3-2-4-15(9-14)12-27-7-5-16(13-27)25-19-11-18(23)20(10-17(19)22)31(28,29)26-21-24-6-8-30-21/h2-4,6,8-11,16,25H,5,7,12-13H2,1H3,(H,24,26)/t16-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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n/an/a 1.59E+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
ep nav1.6


(Homo sapiens (Human))
BDBM373821
PNG
((R)-5-chloro-2-fluoro-4-(1-(3-methylbenzyl)pyrroli...)
Show SMILES Cc1cccc(CN2CC[C@H](C2)Nc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)c1
Show InChI InChI=1S/C21H22ClFN4O2S2/c1-14-3-2-4-15(9-14)12-27-7-5-16(13-27)25-19-11-18(23)20(10-17(19)22)31(28,29)26-21-24-6-8-30-21/h2-4,6,8-11,16,25H,5,7,12-13H2,1H3,(H,24,26)/t16-/m1/s1
PDB

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n/an/a 39n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

US Patent


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


US Patent US10815229 (2020)

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


(Homo sapiens (Human))
BDBM373821
PNG
((R)-5-chloro-2-fluoro-4-(1-(3-methylbenzyl)pyrroli...)
Show SMILES Cc1cccc(CN2CC[C@H](C2)Nc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)c1
Show InChI InChI=1S/C21H22ClFN4O2S2/c1-14-3-2-4-15(9-14)12-27-7-5-16(13-27)25-19-11-18(23)20(10-17(19)22)31(28,29)26-21-24-6-8-30-21/h2-4,6,8-11,16,25H,5,7,12-13H2,1H3,(H,24,26)/t16-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.25E+3n/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