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BDBM275821 5-chloro-4-(((5-chloro- 6-(2,2,3,3-tetrafluoro- propoxy)pyridin- 3-yl)oxy)methyl)- N-(N,N-dimethyl- sulfamoyl)-2-fluoro- benzamide::US10071957, Example 39::US10071957, Example 76

SMILES: CN(C)S(=O)(=O)NC(=O)c1cc(Cl)c(COc2cnc(OCC(F)(F)C(F)F)c(Cl)c2)cc1F

InChI Key: InChIKey=JWJGDFKYGVLSIF-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 = 275821   
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))
BDBM275821
PNG
(5-chloro-4-(((5-chloro- 6-(2,2,3,3-tetrafluoro- pr...)
Show SMILES CN(C)S(=O)(=O)NC(=O)c1cc(Cl)c(COc2cnc(OCC(F)(F)C(F)F)c(Cl)c2)cc1F
Show InChI InChI=1S/C18H16Cl2F5N3O5S/c1-28(2)34(30,31)27-15(29)11-5-12(19)9(3-14(11)21)7-32-10-4-13(20)16(26-6-10)33-8-18(24,25)17(22)23/h3-6,17H,7-8H2,1-2H3,(H,27,29)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 216n/an/an/an/a7.425



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent


Assay Description
Preparation of membranes containing recombinantly expressed sodium channels: Frozen recombinant cell pellets were thawed on ice and diluted to 4 time...


US Patent US10071957 (2018)


BindingDB Entry DOI: 10.7270/Q2J1056P
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM275821
PNG
(5-chloro-4-(((5-chloro- 6-(2,2,3,3-tetrafluoro- pr...)
Show SMILES CN(C)S(=O)(=O)NC(=O)c1cc(Cl)c(COc2cnc(OCC(F)(F)C(F)F)c(Cl)c2)cc1F
Show InChI InChI=1S/C18H16Cl2F5N3O5S/c1-28(2)34(30,31)27-15(29)11-5-12(19)9(3-14(11)21)7-32-10-4-13(20)16(26-6-10)33-8-18(24,25)17(22)23/h3-6,17H,7-8H2,1-2H3,(H,27,29)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 220n/an/an/an/a7.425



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent


Assay Description
Preparation of membranes containing recombinantly expressed sodium channels: Frozen recombinant cell pellets were thawed on ice and diluted to 4 time...


US Patent US10071957 (2018)


BindingDB Entry DOI: 10.7270/Q2J1056P
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM275821
PNG
(5-chloro-4-(((5-chloro- 6-(2,2,3,3-tetrafluoro- pr...)
Show SMILES CN(C)S(=O)(=O)NC(=O)c1cc(Cl)c(COc2cnc(OCC(F)(F)C(F)F)c(Cl)c2)cc1F
Show InChI InChI=1S/C18H16Cl2F5N3O5S/c1-28(2)34(30,31)27-15(29)11-5-12(19)9(3-14(11)21)7-32-10-4-13(20)16(26-6-10)33-8-18(24,25)17(22)23/h3-6,17H,7-8H2,1-2H3,(H,27,29)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 34.3n/an/an/an/a7.2n/a



GENENTECH, INC.; 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 US10071957 (2018)


BindingDB Entry DOI: 10.7270/Q2J1056P
More data for this
Ligand-Target Pair