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BDBM50024243 CHEMBL3325522

SMILES: Fc1cc(c(F)cc1OC[C@@H]1CNCC[C@H]1c1ccccc1)S(=O)(=O)Nc1ncns1

InChI Key: InChIKey=WNPQUCQKSFDNDS-PTTDRDKLNA-N

Data: 2 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 2 hits for monomerid = 50024243   
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 9 subunit alpha


(Homo sapiens (Human))
BDBM50024243
PNG
(CHEMBL3325522)
Show SMILES Fc1cc(c(F)cc1OC[C@@H]1CNCC[C@H]1c1ccccc1)S(=O)(=O)Nc1ncns1 |r|
Show InChI InChI=1/C20H20F2N4O3S2/c21-16-9-19(31(27,28)26-20-24-12-25-30-20)17(22)8-18(16)29-11-14-10-23-7-6-15(14)13-4-2-1-3-5-13/h1-5,8-9,12,14-15,23H,6-7,10-11H2,(H,24,25,26)/t14-,15-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.90n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK cells assessed as reduction in sodium current at -60 mV holding potential by PatchXpress platform based w...


Bioorg Med Chem Lett 24: 4397-401 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.017
BindingDB Entry DOI: 10.7270/Q2FF3TX9
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50024243
PNG
(CHEMBL3325522)
Show SMILES Fc1cc(c(F)cc1OC[C@@H]1CNCC[C@H]1c1ccccc1)S(=O)(=O)Nc1ncns1 |r|
Show InChI InChI=1/C20H20F2N4O3S2/c21-16-9-19(31(27,28)26-20-24-12-25-30-20)17(22)8-18(16)29-11-14-10-23-7-6-15(14)13-4-2-1-3-5-13/h1-5,8-9,12,14-15,23H,6-7,10-11H2,(H,24,25,26)/t14-,15-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 expressed in HEK cells assessed as reduction in sodium current at -60 mV holding potential by PatchXpress platform based w...


Bioorg Med Chem Lett 24: 4397-401 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.017
BindingDB Entry DOI: 10.7270/Q2FF3TX9
More data for this
Ligand-Target Pair