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BDBM76929 US9546164, 589::US9694002, 589

SMILES: CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3ccc(Br)cc3F)CC2)cc1F

InChI Key: InChIKey=HTYPEQFLNSKYPG-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 = 76929   
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))
BDBM76929
PNG
(US9546164, 589 | US9694002, 589)
Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3ccc(Br)cc3F)CC2)cc1F
Show InChI InChI=1S/C24H27BrF2N2O4S/c1-34(31,32)28-24(30)20-11-19(16-2-3-16)23(12-22(20)27)33-14-15-6-8-29(9-7-15)13-17-4-5-18(25)10-21(17)26/h4-5,10-12,15-16H,2-3,6-9,13-14H2,1H3,(H,28,30)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
US Patent
n/an/a 11n/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))
BDBM76929
PNG
(US9546164, 589 | US9694002, 589)
Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3ccc(Br)cc3F)CC2)cc1F
Show InChI InChI=1S/C24H27BrF2N2O4S/c1-34(31,32)28-24(30)20-11-19(16-2-3-16)23(12-22(20)27)33-14-15-6-8-29(9-7-15)13-17-4-5-18(25)10-21(17)26/h4-5,10-12,15-16H,2-3,6-9,13-14H2,1H3,(H,28,30)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 11n/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