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BDBM71263 US9546164, 348::US9694002, 348

SMILES: CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2(F)CCN(Cc3cc(Cl)ccc3C(F)(F)F)CC2)cc1F

InChI Key: InChIKey=KQVZYWXQAVPSNP-UHFFFAOYSA-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 = 71263   
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))
BDBM71263
PNG
(US9546164, 348 | US9694002, 348)
Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2(F)CCN(Cc3cc(Cl)ccc3C(F)(F)F)CC2)cc1F
Show InChI InChI=1S/C25H26ClF5N2O4S/c1-38(35,36)32-23(34)19-11-18(15-2-3-15)22(12-21(19)27)37-14-24(28)6-8-33(9-7-24)13-16-10-17(26)4-5-20(16)25(29,30)31/h4-5,10-12,15H,2-3,6-9,13-14H2,1H3,(H,32,34)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 4.5n/an/an/an/a7.425



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent


Assay Description
Radioligand Binding Studies: Saturation experiments. A representative compound of formula (I) having a methyl group was tritiated. Three tritiums wer...


US Patent US9546164 (2017)

More data for this
Ligand-Target Pair
Sodium Channel Complex


(Homo sapiens (Human))
BDBM71263
PNG
(US9546164, 348 | US9694002, 348)
Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2(F)CCN(Cc3cc(Cl)ccc3C(F)(F)F)CC2)cc1F
Show InChI InChI=1S/C25H26ClF5N2O4S/c1-38(35,36)32-23(34)19-11-18(15-2-3-15)22(12-21(19)27)37-14-24(28)6-8-33(9-7-24)13-16-10-17(26)4-5-20(16)25(29,30)31/h4-5,10-12,15H,2-3,6-9,13-14H2,1H3,(H,32,34)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 4.5n/an/an/an/a7.425



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent


Assay Description
Binding of this radioligand was preformed in 5 mL borosilicate glass test tubes at room temperature. Binding was initiated by adding membranes to inc...


US Patent US9694002 (2017)


BindingDB Entry DOI: 10.7270/Q24B2ZFG
More data for this
Ligand-Target Pair