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BDBM145623 US8952169, 426

SMILES: CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CCC(CC1)C(F)(F)F

InChI Key: InChIKey=ADGPBRVGPHOIIO-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 = 145623   
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))
BDBM145623
PNG
(US8952169, 426)
Show SMILES CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CCC(CC1)C(F)(F)F
Show InChI InChI=1S/C22H27F4NO4S/c1-21(8-6-14(7-9-21)22(24,25)26)12-31-19-11-18(23)17(10-16(19)13-2-3-13)20(28)27-32(29,30)15-4-5-15/h10-11,13-15H,2-9,12H2,1H3,(H,27,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 51n/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
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM145623
PNG
(US8952169, 426)
Show SMILES CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CCC(CC1)C(F)(F)F
Show InChI InChI=1S/C22H27F4NO4S/c1-21(8-6-14(7-9-21)22(24,25)26)12-31-19-11-18(23)17(10-16(19)13-2-3-13)20(28)27-32(29,30)15-4-5-15/h10-11,13-15H,2-9,12H2,1H3,(H,27,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2n/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