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BDBM70816 US9546164, 4::US9694002, 6

SMILES: Fc1ccc(CN2CCC[C@H](C2)Oc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)N2CCC2)c(Cl)c1

InChI Key: InChIKey=KRNHAUPCKRIYSK-TWYLJJHKNA-N

Data: 4 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 4 hits for monomerid = 70816   
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 Complex


(Homo sapiens (Human))
BDBM70816
PNG
(US9546164, 4 | US9694002, 6)
Show SMILES Fc1ccc(CN2CCC[C@H](C2)Oc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)N2CCC2)c(Cl)c1 |r|
Show InChI InChI=1/C25H28ClF2N3O4S/c26-22-11-18(27)7-6-17(22)14-30-8-1-3-19(15-30)35-24-13-23(28)21(12-20(24)16-4-5-16)25(32)29-36(33,34)31-9-2-10-31/h6-7,11-13,16,19H,1-5,8-10,14-15H2,(H,29,32)/t19-/s2
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/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
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM70816
PNG
(US9546164, 4 | US9694002, 6)
Show SMILES Fc1ccc(CN2CCC[C@H](C2)Oc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)N2CCC2)c(Cl)c1 |r|
Show InChI InChI=1/C25H28ClF2N3O4S/c26-22-11-18(27)7-6-17(22)14-30-8-1-3-19(15-30)35-24-13-23(28)21(12-20(24)16-4-5-16)25(32)29-36(33,34)31-9-2-10-31/h6-7,11-13,16,19H,1-5,8-10,14-15H2,(H,29,32)/t19-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.60E+3n/an/an/an/a7.425



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent




US Patent US9546164 (2017)


BindingDB Entry DOI: 10.7270/Q2JD4ZS4
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM70816
PNG
(US9546164, 4 | US9694002, 6)
Show SMILES Fc1ccc(CN2CCC[C@H](C2)Oc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)N2CCC2)c(Cl)c1 |r|
Show InChI InChI=1/C25H28ClF2N3O4S/c26-22-11-18(27)7-6-17(22)14-30-8-1-3-19(15-30)35-24-13-23(28)21(12-20(24)16-4-5-16)25(32)29-36(33,34)31-9-2-10-31/h6-7,11-13,16,19H,1-5,8-10,14-15H2,(H,29,32)/t19-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 33n/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
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM70816
PNG
(US9546164, 4 | US9694002, 6)
Show SMILES Fc1ccc(CN2CCC[C@H](C2)Oc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)N2CCC2)c(Cl)c1 |r|
Show InChI InChI=1/C25H28ClF2N3O4S/c26-22-11-18(27)7-6-17(22)14-30-8-1-3-19(15-30)35-24-13-23(28)21(12-20(24)16-4-5-16)25(32)29-36(33,34)31-9-2-10-31/h6-7,11-13,16,19H,1-5,8-10,14-15H2,(H,29,32)/t19-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.900n/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