BindingDB logo
myBDB logout

null

SMILES: CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CN(C1)C(c1ccccc1)c1cc(Cl)cc(Cl)c1

InChI Key: InChIKey=IPZMXZLTFKXKRB-UHFFFAOYSA-N

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 = 71350   
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))
BDBM71350
PNG
(US9546164, 421 | US9694002, 421)
Show SMILES CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CN(C1)C(c1ccccc1)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C31H31Cl2FN2O4S/c1-31(16-36(17-31)29(20-5-3-2-4-6-20)21-11-22(32)13-23(33)12-21)18-40-28-15-27(34)26(14-25(28)19-7-8-19)30(37)35-41(38,39)24-9-10-24/h2-6,11-15,19,24,29H,7-10,16-18H2,1H3,(H,35,37)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.5n/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)


BindingDB Entry DOI: 10.7270/Q2JD4ZS4
More data for this
Ligand-Target Pair
Sodium channel protein type 1/10/11/2/3/4/5/8/9 subunit alpha


(Homo sapiens (Human))
BDBM71350
PNG
(US9546164, 421 | US9694002, 421)
Show SMILES CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CN(C1)C(c1ccccc1)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C31H31Cl2FN2O4S/c1-31(16-36(17-31)29(20-5-3-2-4-6-20)21-11-22(32)13-23(33)12-21)18-40-28-15-27(34)26(14-25(28)19-7-8-19)30(37)35-41(38,39)24-9-10-24/h2-6,11-15,19,24,29H,7-10,16-18H2,1H3,(H,35,37)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.5n/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