BindingDB logo
myBDB logout

BDBM71352 US9546164, 423::US9694002, 423

SMILES: Cc1ccc(CN2CCC[C@H](C2)Oc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)c(C)c1

InChI Key: InChIKey=JDOPSZPOSAPHFB-GNLPSFAGNA-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 = 71352   
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))
BDBM71352
PNG
(US9546164, 423 | US9694002, 423)
Show SMILES Cc1ccc(CN2CCC[C@H](C2)Oc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)c(C)c1
Show InChI InChI=1/C25H31FN2O4S/c1-16-6-7-19(17(2)11-16)14-28-10-4-5-20(15-28)32-24-13-23(26)22(12-21(24)18-8-9-18)25(29)27-33(3,30)31/h6-7,11-13,18,20H,4-5,8-10,14-15H2,1-3H3,(H,27,29)/t20-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 2.10n/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)


Article DOI: 10.1016/j.bmcl.2005.05.131
BindingDB Entry DOI: 10.7270/Q2JD4ZS4
More data for this
Ligand-Target Pair
Sodium Channel Complex


(Homo sapiens (Human))
BDBM71352
PNG
(US9546164, 423 | US9694002, 423)
Show SMILES Cc1ccc(CN2CCC[C@H](C2)Oc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)c(C)c1
Show InChI InChI=1/C25H31FN2O4S/c1-16-6-7-19(17(2)11-16)14-28-10-4-5-20(15-28)32-24-13-23(26)22(12-21(24)18-8-9-18)25(29)27-33(3,30)31/h6-7,11-13,18,20H,4-5,8-10,14-15H2,1-3H3,(H,27,29)/t20-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.10n/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