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BDBM373764 (S)-3-chloro-4-((1-(3-(difluoromethyl)benzyl)pyrrolidin-3-yl)(methyl)amino)-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide::US10246453, Example 31

SMILES: CN([C@H]1CCN(Cc2cccc(c2)C(F)F)C1)c1ccc(cc1Cl)S(=O)(=O)Nc1ncns1

InChI Key: InChIKey=AXCVPKDBHJWUJZ-XISACWJONA-N

Data: 4 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 4 hits for monomerid = 373764   
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 alpha subunit


(Homo sapiens (Human))
BDBM373764
PNG
((S)-3-chloro-4-((1-(3-(difluoromethyl)benzyl)pyrro...)
Show SMILES CN([C@H]1CCN(Cc2cccc(c2)C(F)F)C1)c1ccc(cc1Cl)S(=O)(=O)Nc1ncns1
Show InChI InChI=1/C21H22ClF2N5O2S2/c1-28(16-7-8-29(12-16)11-14-3-2-4-15(9-14)20(23)24)19-6-5-17(10-18(19)22)33(30,31)27-21-25-13-26-32-21/h2-6,9-10,13,16,20H,7-8,11-12H2,1H3,(H,25,26,27)/t16-/s2
PDB

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UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 13n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc

US Patent


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...


US Patent US10246453 (2019)

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


(Homo sapiens (Human))
BDBM373764
PNG
((S)-3-chloro-4-((1-(3-(difluoromethyl)benzyl)pyrro...)
Show SMILES CN([C@H]1CCN(Cc2cccc(c2)C(F)F)C1)c1ccc(cc1Cl)S(=O)(=O)Nc1ncns1
Show InChI InChI=1/C21H22ClF2N5O2S2/c1-28(16-7-8-29(12-16)11-14-3-2-4-15(9-14)20(23)24)19-6-5-17(10-18(19)22)33(30,31)27-21-25-13-26-32-21/h2-6,9-10,13,16,20H,7-8,11-12H2,1H3,(H,25,26,27)/t16-/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 29n/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 US10246453 (2019)

More data for this
Ligand-Target Pair
Sodium channel alpha subunits; brain (Types I, II, III)


(Homo sapiens (Human))
BDBM373764
PNG
((S)-3-chloro-4-((1-(3-(difluoromethyl)benzyl)pyrro...)
Show SMILES CN([C@H]1CCN(Cc2cccc(c2)C(F)F)C1)c1ccc(cc1Cl)S(=O)(=O)Nc1ncns1
Show InChI InChI=1/C21H22ClF2N5O2S2/c1-28(16-7-8-29(12-16)11-14-3-2-4-15(9-14)20(23)24)19-6-5-17(10-18(19)22)33(30,31)27-21-25-13-26-32-21/h2-6,9-10,13,16,20H,7-8,11-12H2,1H3,(H,25,26,27)/t16-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.77E+4n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc

US Patent


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...


US Patent US10246453 (2019)

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


(Homo sapiens (Human))
BDBM373764
PNG
((S)-3-chloro-4-((1-(3-(difluoromethyl)benzyl)pyrro...)
Show SMILES CN([C@H]1CCN(Cc2cccc(c2)C(F)F)C1)c1ccc(cc1Cl)S(=O)(=O)Nc1ncns1
Show InChI InChI=1/C21H22ClF2N5O2S2/c1-28(16-7-8-29(12-16)11-14-3-2-4-15(9-14)20(23)24)19-6-5-17(10-18(19)22)33(30,31)27-21-25-13-26-32-21/h2-6,9-10,13,16,20H,7-8,11-12H2,1H3,(H,25,26,27)/t16-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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
This sodium influx assay employs the use of the cell permeable, sodium sensitive dye ANG2 to quantify sodium ion influx through sodium channels which...


US Patent US10246453 (2019)

More data for this
Ligand-Target Pair