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BDBM70930 US9546164, 94::US9694002, 94

SMILES: COc1ccc(CN2CCC(COc3cc(F)c(cc3C3CC3)C(=O)NS(C)(=O)=O)CC2)cc1F

InChI Key: InChIKey=LNSGKRRBOFFWLA-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 = 70930   
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))
BDBM70930
PNG
(US9546164, 94 | US9694002, 94)
Show SMILES COc1ccc(CN2CCC(COc3cc(F)c(cc3C3CC3)C(=O)NS(C)(=O)=O)CC2)cc1F
Show InChI InChI=1S/C25H30F2N2O5S/c1-33-23-6-3-17(11-22(23)27)14-29-9-7-16(8-10-29)15-34-24-13-21(26)20(12-19(24)18-4-5-18)25(30)28-35(2,31)32/h3,6,11-13,16,18H,4-5,7-10,14-15H2,1-2H3,(H,28,30)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
US Patent
n/an/a 150n/an/an/an/a7.425



Genentech 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))
BDBM70930
PNG
(US9546164, 94 | US9694002, 94)
Show SMILES COc1ccc(CN2CCC(COc3cc(F)c(cc3C3CC3)C(=O)NS(C)(=O)=O)CC2)cc1F
Show InChI InChI=1S/C25H30F2N2O5S/c1-33-23-6-3-17(11-22(23)27)14-29-9-7-16(8-10-29)15-34-24-13-21(26)20(12-19(24)18-4-5-18)25(30)28-35(2,31)32/h3,6,11-13,16,18H,4-5,7-10,14-15H2,1-2H3,(H,28,30)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 150n/an/an/an/a7.425



Genentech 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