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BDBM50024240 CHEMBL3325549

SMILES: Fc1cc(c(F)cc1OC[C@@H]1CNCC[C@H]1c1ccc(Cl)cc1)S(=O)(=O)Nc1ncccn1

InChI Key: InChIKey=GUJMFDUXYXYBIE-OLKMYRHANA-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 = 50024240   
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 5 subunit alpha


(Homo sapiens (Human))
BDBM50024240
PNG
(CHEMBL3325549)
Show SMILES Fc1cc(c(F)cc1OC[C@@H]1CNCC[C@H]1c1ccc(Cl)cc1)S(=O)(=O)Nc1ncccn1 |r|
Show InChI InChI=1/C22H21ClF2N4O3S/c23-16-4-2-14(3-5-16)17-6-9-26-12-15(17)13-32-20-10-19(25)21(11-18(20)24)33(30,31)29-22-27-7-1-8-28-22/h1-5,7-8,10-11,15,17,26H,6,9,12-13H2,(H,27,28,29)/t15-,17-/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
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50024240
PNG
(CHEMBL3325549)
Show SMILES Fc1cc(c(F)cc1OC[C@@H]1CNCC[C@H]1c1ccc(Cl)cc1)S(=O)(=O)Nc1ncccn1 |r|
Show InChI InChI=1/C22H21ClF2N4O3S/c23-16-4-2-14(3-5-16)17-6-9-26-12-15(17)13-32-20-10-19(25)21(11-18(20)24)33(30,31)29-22-27-7-1-8-28-22/h1-5,7-8,10-11,15,17,26H,6,9,12-13H2,(H,27,28,29)/t15-,17-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 53n/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