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BDBM71349 US9546164, 420::US9694002, 420

SMILES: CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CN(C1)C(c1ccccc1)c1cc(Cl)cc(Cl)c1

InChI Key: InChIKey=YRRNEWYACBDUSW-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 71349   
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))
BDBM71349
PNG
(US9546164, 420 | US9694002, 420)
Show SMILES CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CN(C1)C(c1ccccc1)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C29H29Cl2FN2O4S/c1-29(15-34(16-29)27(19-6-4-3-5-7-19)20-10-21(30)12-22(31)11-20)17-38-26-14-25(32)24(13-23(26)18-8-9-18)28(35)33-39(2,36)37/h3-7,10-14,18,27H,8-9,15-17H2,1-2H3,(H,33,35)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.40n/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)


BindingDB Entry DOI: 10.7270/Q2JD4ZS4
More data for this
Ligand-Target Pair
Sodium Channel Complex


(Homo sapiens (Human))
BDBM71349
PNG
(US9546164, 420 | US9694002, 420)
Show SMILES CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CN(C1)C(c1ccccc1)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C29H29Cl2FN2O4S/c1-29(15-34(16-29)27(19-6-4-3-5-7-19)20-10-21(30)12-22(31)11-20)17-38-26-14-25(32)24(13-23(26)18-8-9-18)28(35)33-39(2,36)37/h3-7,10-14,18,27H,8-9,15-17H2,1-2H3,(H,33,35)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.40n/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