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BDBM71211 US9546164, 312::US9694002, 312

SMILES: CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)cc1F

InChI Key: InChIKey=OZAYOHJGXLWETR-AGDOHHJYNA-N

Data: 7 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 7 hits for monomerid = 71211   
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))
BDBM71211
PNG
(US9546164, 312 | US9694002, 312)
Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)cc1F |r|
Show InChI InChI=1/C23H25ClF2N2O4S/c1-33(30,31)27-23(29)19-10-18(14-4-5-14)22(11-21(19)26)32-17-3-2-8-28(13-17)12-15-6-7-16(25)9-20(15)24/h6-7,9-11,14,17H,2-5,8,12-13H2,1H3,(H,27,29)/t17-/s2
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.20n/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))
BDBM71211
PNG
(US9546164, 312 | US9694002, 312)
Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)cc1F |r|
Show InChI InChI=1/C23H25ClF2N2O4S/c1-33(30,31)27-23(29)19-10-18(14-4-5-14)22(11-21(19)26)32-17-3-2-8-28(13-17)12-15-6-7-16(25)9-20(15)24/h6-7,9-11,14,17H,2-5,8,12-13H2,1H3,(H,27,29)/t17-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/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))
BDBM71211
PNG
(US9546164, 312 | US9694002, 312)
Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)cc1F |r|
Show InChI InChI=1/C23H25ClF2N2O4S/c1-33(30,31)27-23(29)19-10-18(14-4-5-14)22(11-21(19)26)32-17-3-2-8-28(13-17)12-15-6-7-16(25)9-20(15)24/h6-7,9-11,14,17H,2-5,8,12-13H2,1H3,(H,27,29)/t17-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 310n/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))
BDBM71211
PNG
(US9546164, 312 | US9694002, 312)
Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)cc1F |r|
Show InChI InChI=1/C23H25ClF2N2O4S/c1-33(30,31)27-23(29)19-10-18(14-4-5-14)22(11-21(19)26)32-17-3-2-8-28(13-17)12-15-6-7-16(25)9-20(15)24/h6-7,9-11,14,17H,2-5,8,12-13H2,1H3,(H,27,29)/t17-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 310n/an/an/an/a7.2n/a



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))
BDBM71211
PNG
(US9546164, 312 | US9694002, 312)
Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)cc1F |r|
Show InChI InChI=1/C23H25ClF2N2O4S/c1-33(30,31)27-23(29)19-10-18(14-4-5-14)22(11-21(19)26)32-17-3-2-8-28(13-17)12-15-6-7-16(25)9-20(15)24/h6-7,9-11,14,17H,2-5,8,12-13H2,1H3,(H,27,29)/t17-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.20n/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 9 subunit alpha


(Homo sapiens (Human))
BDBM71211
PNG
(US9546164, 312 | US9694002, 312)
Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)cc1F |r|
Show InChI InChI=1/C23H25ClF2N2O4S/c1-33(30,31)27-23(29)19-10-18(14-4-5-14)22(11-21(19)26)32-17-3-2-8-28(13-17)12-15-6-7-16(25)9-20(15)24/h6-7,9-11,14,17H,2-5,8,12-13H2,1H3,(H,27,29)/t17-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/a7.2n/a



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))
BDBM71211
PNG
(US9546164, 312 | US9694002, 312)
Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)cc1F |r|
Show InChI InChI=1/C23H25ClF2N2O4S/c1-33(30,31)27-23(29)19-10-18(14-4-5-14)22(11-21(19)26)32-17-3-2-8-28(13-17)12-15-6-7-16(25)9-20(15)24/h6-7,9-11,14,17H,2-5,8,12-13H2,1H3,(H,27,29)/t17-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.60n/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