BindingDB logo
myBDB logout

BDBM71546 US9546164, 556::US9694002, 556

SMILES: CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CCN(CC1)c1cc(c(Cl)cn1)C(F)(F)F

InChI Key: InChIKey=WKRWUEJFYAVPIB-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 = 71546   
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))
BDBM71546
PNG
(US9546164, 556 | US9694002, 556)
Show SMILES CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CCN(CC1)c1cc(c(Cl)cn1)C(F)(F)F
Show InChI InChI=1S/C24H26ClF4N3O4S/c1-23(5-7-32(8-6-23)21-10-17(24(27,28)29)18(25)12-30-21)13-36-20-11-19(26)16(9-15(20)14-3-4-14)22(33)31-37(2,34)35/h9-12,14H,3-8,13H2,1-2H3,(H,31,33)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

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)


BindingDB Entry DOI: 10.7270/Q2JD4ZS4
More data for this
Ligand-Target Pair
Sodium Channel Complex


(Homo sapiens (Human))
BDBM71546
PNG
(US9546164, 556 | US9694002, 556)
Show SMILES CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CCN(CC1)c1cc(c(Cl)cn1)C(F)(F)F
Show InChI InChI=1S/C24H26ClF4N3O4S/c1-23(5-7-32(8-6-23)21-10-17(24(27,28)29)18(25)12-30-21)13-36-20-11-19(26)16(9-15(20)14-3-4-14)22(33)31-37(2,34)35/h9-12,14H,3-8,13H2,1-2H3,(H,31,33)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

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