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BDBM71136 US9546164, 259::US9694002, 259

SMILES: Fc1cc(OCC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1

InChI Key: InChIKey=WBUKUXXILSESLB-UHFFFAOYSA-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 = 71136   
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))
BDBM71136
PNG
(US9546164, 259 | US9694002, 259)
Show SMILES Fc1cc(OCC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
Show InChI InChI=1S/C26H29Cl2FN2O4S/c27-19-9-17(10-20(28)11-19)14-31-7-5-16(6-8-31)15-35-25-13-24(29)23(12-22(25)18-1-2-18)26(32)30-36(33,34)21-3-4-21/h9-13,16,18,21H,1-8,14-15H2,(H,30,32)
PDB

UniProtKB/SwissProt

GoogleScholar
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))
BDBM71136
PNG
(US9546164, 259 | US9694002, 259)
Show SMILES Fc1cc(OCC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
Show InChI InChI=1S/C26H29Cl2FN2O4S/c27-19-9-17(10-20(28)11-19)14-31-7-5-16(6-8-31)15-35-25-13-24(29)23(12-22(25)18-1-2-18)26(32)30-36(33,34)21-3-4-21/h9-13,16,18,21H,1-8,14-15H2,(H,30,32)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 23n/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))
BDBM71136
PNG
(US9546164, 259 | US9694002, 259)
Show SMILES Fc1cc(OCC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
Show InChI InChI=1S/C26H29Cl2FN2O4S/c27-19-9-17(10-20(28)11-19)14-31-7-5-16(6-8-31)15-35-25-13-24(29)23(12-22(25)18-1-2-18)26(32)30-36(33,34)21-3-4-21/h9-13,16,18,21H,1-8,14-15H2,(H,30,32)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 110n/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))
BDBM71136
PNG
(US9546164, 259 | US9694002, 259)
Show SMILES Fc1cc(OCC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
Show InChI InChI=1S/C26H29Cl2FN2O4S/c27-19-9-17(10-20(28)11-19)14-31-7-5-16(6-8-31)15-35-25-13-24(29)23(12-22(25)18-1-2-18)26(32)30-36(33,34)21-3-4-21/h9-13,16,18,21H,1-8,14-15H2,(H,30,32)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 110n/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))
BDBM71136
PNG
(US9546164, 259 | US9694002, 259)
Show SMILES Fc1cc(OCC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
Show InChI InChI=1S/C26H29Cl2FN2O4S/c27-19-9-17(10-20(28)11-19)14-31-7-5-16(6-8-31)15-35-25-13-24(29)23(12-22(25)18-1-2-18)26(32)30-36(33,34)21-3-4-21/h9-13,16,18,21H,1-8,14-15H2,(H,30,32)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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
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))
BDBM71136
PNG
(US9546164, 259 | US9694002, 259)
Show SMILES Fc1cc(OCC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
Show InChI InChI=1S/C26H29Cl2FN2O4S/c27-19-9-17(10-20(28)11-19)14-31-7-5-16(6-8-31)15-35-25-13-24(29)23(12-22(25)18-1-2-18)26(32)30-36(33,34)21-3-4-21/h9-13,16,18,21H,1-8,14-15H2,(H,30,32)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 23n/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))
BDBM71136
PNG
(US9546164, 259 | US9694002, 259)
Show SMILES Fc1cc(OCC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
Show InChI InChI=1S/C26H29Cl2FN2O4S/c27-19-9-17(10-20(28)11-19)14-31-7-5-16(6-8-31)15-35-25-13-24(29)23(12-22(25)18-1-2-18)26(32)30-36(33,34)21-3-4-21/h9-13,16,18,21H,1-8,14-15H2,(H,30,32)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 7.40n/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