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BDBM70967 US9546164, 122::US9694002, 122

SMILES: CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CCN(Cc2cc(Cl)ccc2C(F)(F)F)CC1

InChI Key: InChIKey=LXLJQUXLUKXWCO-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 = 70967   
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))
BDBM70967
PNG
(US9546164, 122 | US9694002, 122)
Show SMILES CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CCN(Cc2cc(Cl)ccc2C(F)(F)F)CC1
Show InChI InChI=1S/C26H29ClF4N2O4S/c1-25(7-9-33(10-8-25)14-17-11-18(27)5-6-21(17)26(29,30)31)15-37-23-13-22(28)20(12-19(23)16-3-4-16)24(34)32-38(2,35)36/h5-6,11-13,16H,3-4,7-10,14-15H2,1-2H3,(H,32,34)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
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))
BDBM70967
PNG
(US9546164, 122 | US9694002, 122)
Show SMILES CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CCN(Cc2cc(Cl)ccc2C(F)(F)F)CC1
Show InChI InChI=1S/C26H29ClF4N2O4S/c1-25(7-9-33(10-8-25)14-17-11-18(27)5-6-21(17)26(29,30)31)15-37-23-13-22(28)20(12-19(23)16-3-4-16)24(34)32-38(2,35)36/h5-6,11-13,16H,3-4,7-10,14-15H2,1-2H3,(H,32,34)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
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