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BDBM145236 US8952169, 15::US9771376, Example 15

SMILES: CS(=O)(=O)NC(=O)c1cc(Cl)c(OCCC2CC2)cc1F

InChI Key: InChIKey=KXTGARHIVFGTKX-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 = 145236   
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))
BDBM145236
PNG
(US8952169, 15 | US9771376, Example 15)
Show SMILES CS(=O)(=O)NC(=O)c1cc(Cl)c(OCCC2CC2)cc1F
Show InChI InChI=1S/C13H15ClFNO4S/c1-21(18,19)16-13(17)9-6-10(14)12(7-11(9)15)20-5-4-8-2-3-8/h6-8H,2-5H2,1H3,(H,16,17)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 770n/an/an/an/a7.425



Xenon Pharmaceuticals Inc.; Genentech, Inc.

US Patent


Assay Description
Radioligand Binding Studies: Saturation experiments. A representative compound of formula (I) was tritiated. Three tritiums were incorporated in plac...


US Patent US8952169 (2015)


BindingDB Entry DOI: 10.7270/Q2M04445
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM145236
PNG
(US8952169, 15 | US9771376, Example 15)
Show SMILES CS(=O)(=O)NC(=O)c1cc(Cl)c(OCCC2CC2)cc1F
Show InChI InChI=1S/C13H15ClFNO4S/c1-21(18,19)16-13(17)9-6-10(14)12(7-11(9)15)20-5-4-8-2-3-8/h6-8H,2-5H2,1H3,(H,16,17)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 170n/an/an/an/an/an/a



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent




US Patent US9771376 (2017)


BindingDB Entry DOI: 10.7270/Q2W0983R
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM145236
PNG
(US8952169, 15 | US9771376, Example 15)
Show SMILES CS(=O)(=O)NC(=O)c1cc(Cl)c(OCCC2CC2)cc1F
Show InChI InChI=1S/C13H15ClFNO4S/c1-21(18,19)16-13(17)9-6-10(14)12(7-11(9)15)20-5-4-8-2-3-8/h6-8H,2-5H2,1H3,(H,16,17)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 171n/an/an/an/an/a37



Xenon Pharmaceuticals Inc.; Genentech, 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 all...


US Patent US8952169 (2015)


BindingDB Entry DOI: 10.7270/Q2M04445
More data for this
Ligand-Target Pair