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BDBM373807 4-((trans-1-benzyl-4-methylpyrrolidin-3-yl)amino)-3-chloro-N-(thiazol-2-yl)benzenesulfonamide::US10246453, Example 74

SMILES: C[C@H]1CN(Cc2ccccc2)CC1Nc1ccc(cc1Cl)S(=O)(=O)Nc1nccs1

InChI Key: InChIKey=TXCKAMAKLHVARQ-OOJLDXBWSA-N

Data: 5 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 5 hits for monomerid = 373807   
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))
BDBM373807
PNG
(4-((trans-1-benzyl-4-methylpyrrolidin-3-yl)amino)-...)
Show SMILES C[C@H]1CN(Cc2ccccc2)CC1Nc1ccc(cc1Cl)S(=O)(=O)Nc1nccs1 |r|
Show InChI InChI=1S/C21H23ClN4O2S2/c1-15-12-26(13-16-5-3-2-4-6-16)14-20(15)24-19-8-7-17(11-18(19)22)30(27,28)25-21-23-9-10-29-21/h2-11,15,20,24H,12-14H2,1H3,(H,23,25)/t15-,20?/m0/s1
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 167n/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))
BDBM373807
PNG
(4-((trans-1-benzyl-4-methylpyrrolidin-3-yl)amino)-...)
Show SMILES C[C@H]1CN(Cc2ccccc2)CC1Nc1ccc(cc1Cl)S(=O)(=O)Nc1nccs1 |r|
Show InChI InChI=1S/C21H23ClN4O2S2/c1-15-12-26(13-16-5-3-2-4-6-16)14-20(15)24-19-8-7-17(11-18(19)22)30(27,28)25-21-23-9-10-29-21/h2-11,15,20,24H,12-14H2,1H3,(H,23,25)/t15-,20?/m0/s1
PDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 8.67E+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))
BDBM373807
PNG
(4-((trans-1-benzyl-4-methylpyrrolidin-3-yl)amino)-...)
Show SMILES C[C@H]1CN(Cc2ccccc2)CC1Nc1ccc(cc1Cl)S(=O)(=O)Nc1nccs1 |r|
Show InChI InChI=1S/C21H23ClN4O2S2/c1-15-12-26(13-16-5-3-2-4-6-16)14-20(15)24-19-8-7-17(11-18(19)22)30(27,28)25-21-23-9-10-29-21/h2-11,15,20,24H,12-14H2,1H3,(H,23,25)/t15-,20?/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.03E+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
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM373807
PNG
(4-((trans-1-benzyl-4-methylpyrrolidin-3-yl)amino)-...)
Show SMILES C[C@H]1CN(Cc2ccccc2)CC1Nc1ccc(cc1Cl)S(=O)(=O)Nc1nccs1 |r|
Show InChI InChI=1S/C21H23ClN4O2S2/c1-15-12-26(13-16-5-3-2-4-6-16)14-20(15)24-19-8-7-17(11-18(19)22)30(27,28)25-21-23-9-10-29-21/h2-11,15,20,24H,12-14H2,1H3,(H,23,25)/t15-,20?/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 25n/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))
BDBM373807
PNG
(4-((trans-1-benzyl-4-methylpyrrolidin-3-yl)amino)-...)
Show SMILES C[C@H]1CN(Cc2ccccc2)CC1Nc1ccc(cc1Cl)S(=O)(=O)Nc1nccs1 |r|
Show InChI InChI=1S/C21H23ClN4O2S2/c1-15-12-26(13-16-5-3-2-4-6-16)14-20(15)24-19-8-7-17(11-18(19)22)30(27,28)25-21-23-9-10-29-21/h2-11,15,20,24H,12-14H2,1H3,(H,23,25)/t15-,20?/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.54E+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