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BDBM145456 US8952169, 235

SMILES: CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)N2CCC2)CCCCC1

InChI Key: InChIKey=XQOHWHYHWARMBX-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 145456   
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))
BDBM145456
PNG
(US8952169, 235)
Show SMILES CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)N2CCC2)CCCCC1
Show InChI InChI=1S/C21H29FN2O4S/c1-21(8-3-2-4-9-21)14-28-19-13-18(22)17(12-16(19)15-6-7-15)20(25)23-29(26,27)24-10-5-11-24/h12-13,15H,2-11,14H2,1H3,(H,23,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3n/an/an/an/a7.425



Xenon Pharmaceuticals 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