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BDBM71208 US9546164, 309::US9694002, 309

SMILES: C[C@@H](N1CCC[C@H](C1)Oc1cc(F)c(cc1C1CC1)C(=O)NS(C)(=O)=O)c1ccc(Cl)c(n1)C1CC1

InChI Key: InChIKey=CIXVIWMKNATLIZ-CRAIPNDOSA-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 = 71208   
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))
BDBM71208
PNG
(US9546164, 309 | US9694002, 309)
Show SMILES C[C@@H](N1CCC[C@H](C1)Oc1cc(F)c(cc1C1CC1)C(=O)NS(C)(=O)=O)c1ccc(Cl)c(n1)C1CC1 |r|
Show InChI InChI=1S/C26H31ClFN3O4S/c1-15(23-10-9-21(27)25(29-23)17-7-8-17)31-11-3-4-18(14-31)35-24-13-22(28)20(12-19(24)16-5-6-16)26(32)30-36(2,33)34/h9-10,12-13,15-18H,3-8,11,14H2,1-2H3,(H,30,32)/t15-,18-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 2.70n/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))
BDBM71208
PNG
(US9546164, 309 | US9694002, 309)
Show SMILES C[C@@H](N1CCC[C@H](C1)Oc1cc(F)c(cc1C1CC1)C(=O)NS(C)(=O)=O)c1ccc(Cl)c(n1)C1CC1 |r|
Show InChI InChI=1S/C26H31ClFN3O4S/c1-15(23-10-9-21(27)25(29-23)17-7-8-17)31-11-3-4-18(14-31)35-24-13-22(28)20(12-19(24)16-5-6-16)26(32)30-36(2,33)34/h9-10,12-13,15-18H,3-8,11,14H2,1-2H3,(H,30,32)/t15-,18-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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))
BDBM71208
PNG
(US9546164, 309 | US9694002, 309)
Show SMILES C[C@@H](N1CCC[C@H](C1)Oc1cc(F)c(cc1C1CC1)C(=O)NS(C)(=O)=O)c1ccc(Cl)c(n1)C1CC1 |r|
Show InChI InChI=1S/C26H31ClFN3O4S/c1-15(23-10-9-21(27)25(29-23)17-7-8-17)31-11-3-4-18(14-31)35-24-13-22(28)20(12-19(24)16-5-6-16)26(32)30-36(2,33)34/h9-10,12-13,15-18H,3-8,11,14H2,1-2H3,(H,30,32)/t15-,18-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 380n/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))
BDBM71208
PNG
(US9546164, 309 | US9694002, 309)
Show SMILES C[C@@H](N1CCC[C@H](C1)Oc1cc(F)c(cc1C1CC1)C(=O)NS(C)(=O)=O)c1ccc(Cl)c(n1)C1CC1 |r|
Show InChI InChI=1S/C26H31ClFN3O4S/c1-15(23-10-9-21(27)25(29-23)17-7-8-17)31-11-3-4-18(14-31)35-24-13-22(28)20(12-19(24)16-5-6-16)26(32)30-36(2,33)34/h9-10,12-13,15-18H,3-8,11,14H2,1-2H3,(H,30,32)/t15-,18-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 380n/an/an/an/a7.2n/a



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent


Assay Description
Patch voltage clamp electrophysiology allows for the direct measurement and quantification of block of voltage-gated sodium channels (NaV's), and...


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))
BDBM71208
PNG
(US9546164, 309 | US9694002, 309)
Show SMILES C[C@@H](N1CCC[C@H](C1)Oc1cc(F)c(cc1C1CC1)C(=O)NS(C)(=O)=O)c1ccc(Cl)c(n1)C1CC1 |r|
Show InChI InChI=1S/C26H31ClFN3O4S/c1-15(23-10-9-21(27)25(29-23)17-7-8-17)31-11-3-4-18(14-31)35-24-13-22(28)20(12-19(24)16-5-6-16)26(32)30-36(2,33)34/h9-10,12-13,15-18H,3-8,11,14H2,1-2H3,(H,30,32)/t15-,18-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 2.70n/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 protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM71208
PNG
(US9546164, 309 | US9694002, 309)
Show SMILES C[C@@H](N1CCC[C@H](C1)Oc1cc(F)c(cc1C1CC1)C(=O)NS(C)(=O)=O)c1ccc(Cl)c(n1)C1CC1 |r|
Show InChI InChI=1S/C26H31ClFN3O4S/c1-15(23-10-9-21(27)25(29-23)17-7-8-17)31-11-3-4-18(14-31)35-24-13-22(28)20(12-19(24)16-5-6-16)26(32)30-36(2,33)34/h9-10,12-13,15-18H,3-8,11,14H2,1-2H3,(H,30,32)/t15-,18-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/an/an/an/a7.2n/a



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent


Assay Description
Patch voltage clamp electrophysiology allows for the direct measurement and quantification of block of voltage-gated sodium channels (NaV's), and...


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))
BDBM71208
PNG
(US9546164, 309 | US9694002, 309)
Show SMILES C[C@@H](N1CCC[C@H](C1)Oc1cc(F)c(cc1C1CC1)C(=O)NS(C)(=O)=O)c1ccc(Cl)c(n1)C1CC1 |r|
Show InChI InChI=1S/C26H31ClFN3O4S/c1-15(23-10-9-21(27)25(29-23)17-7-8-17)31-11-3-4-18(14-31)35-24-13-22(28)20(12-19(24)16-5-6-16)26(32)30-36(2,33)34/h9-10,12-13,15-18H,3-8,11,14H2,1-2H3,(H,30,32)/t15-,18-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.90n/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