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BDBM50169424 CHEMBL3805265::US9481677, 30

SMILES: Fc1cc(c(F)cc1Oc1ccc(Cl)cc1-c1cccc2nccn12)S(=O)(=O)Nc1ncns1

InChI Key: InChIKey=WHUHEVZDIFFUGK-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50169424   
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))
BDBM50169424
PNG
(CHEMBL3805265 | US9481677, 30)
Show SMILES Fc1cc(c(F)cc1Oc1ccc(Cl)cc1-c1cccc2nccn12)S(=O)(=O)Nc1ncns1
Show InChI InChI=1S/C21H12ClF2N5O3S2/c22-12-4-5-17(13(8-12)16-2-1-3-20-25-6-7-29(16)20)32-18-9-15(24)19(10-14(18)23)34(30,31)28-21-26-11-27-33-21/h1-11H,(H,26,27,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
US Patent
n/an/a 13.4n/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 (Nav's), and...


US Patent US9481677 (2016)


BindingDB Entry DOI: 10.7270/Q20V8BQT
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50169424
PNG
(CHEMBL3805265 | US9481677, 30)
Show SMILES Fc1cc(c(F)cc1Oc1ccc(Cl)cc1-c1cccc2nccn12)S(=O)(=O)Nc1ncns1
Show InChI InChI=1S/C21H12ClF2N5O3S2/c22-12-4-5-17(13(8-12)16-2-1-3-20-25-6-7-29(16)20)32-18-9-15(24)19(10-14(18)23)34(30,31)28-21-26-11-27-33-21/h1-11H,(H,26,27,28)
PDB

KEGG

UniProtKB/SwissProt

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



Xenon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length human Nav1.5 channel expressed in HEK cells co-expressing human sodium channel subunit beta1 at holding potential -60 mV by...


ACS Med Chem Lett 7: 277-82 (2016)


BindingDB Entry DOI: 10.7270/Q2J1052W
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50169424
PNG
(CHEMBL3805265 | US9481677, 30)
Show SMILES Fc1cc(c(F)cc1Oc1ccc(Cl)cc1-c1cccc2nccn12)S(=O)(=O)Nc1ncns1
Show InChI InChI=1S/C21H12ClF2N5O3S2/c22-12-4-5-17(13(8-12)16-2-1-3-20-25-6-7-29(16)20)32-18-9-15(24)19(10-14(18)23)34(30,31)28-21-26-11-27-33-21/h1-11H,(H,26,27,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 17n/an/an/an/an/an/a



Xenon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length human Nav1.7 channel expressed in HEK cells co-expressing human sodium channel subunit beta1 at holding potential -60 mV by...


ACS Med Chem Lett 7: 277-82 (2016)


BindingDB Entry DOI: 10.7270/Q2J1052W
More data for this
Ligand-Target Pair