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BDBM71017 US9546164, 165::US9694002, 165

SMILES: COC[C@@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CC1)c1cc(Cl)cc(Cl)c1

InChI Key: InChIKey=SDFWLGIHLRLHLP-AREMUKBSSA-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 = 71017   
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))
BDBM71017
PNG
(US9546164, 165 | US9694002, 165)
Show SMILES COC[C@@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CC1)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C28H33Cl2FN2O5S/c1-37-16-26(19-10-20(29)12-21(30)11-19)33-8-6-17(7-9-33)15-38-27-14-25(31)24(13-23(27)18-2-3-18)28(34)32-39(35,36)22-4-5-22/h10-14,17-18,22,26H,2-9,15-16H2,1H3,(H,32,34)/t26-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.30n/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))
BDBM71017
PNG
(US9546164, 165 | US9694002, 165)
Show SMILES COC[C@@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CC1)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C28H33Cl2FN2O5S/c1-37-16-26(19-10-20(29)12-21(30)11-19)33-8-6-17(7-9-33)15-38-27-14-25(31)24(13-23(27)18-2-3-18)28(34)32-39(35,36)22-4-5-22/h10-14,17-18,22,26H,2-9,15-16H2,1H3,(H,32,34)/t26-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.40n/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))
BDBM71017
PNG
(US9546164, 165 | US9694002, 165)
Show SMILES COC[C@@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CC1)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C28H33Cl2FN2O5S/c1-37-16-26(19-10-20(29)12-21(30)11-19)33-8-6-17(7-9-33)15-38-27-14-25(31)24(13-23(27)18-2-3-18)28(34)32-39(35,36)22-4-5-22/h10-14,17-18,22,26H,2-9,15-16H2,1H3,(H,32,34)/t26-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 49n/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))
BDBM71017
PNG
(US9546164, 165 | US9694002, 165)
Show SMILES COC[C@@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CC1)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C28H33Cl2FN2O5S/c1-37-16-26(19-10-20(29)12-21(30)11-19)33-8-6-17(7-9-33)15-38-27-14-25(31)24(13-23(27)18-2-3-18)28(34)32-39(35,36)22-4-5-22/h10-14,17-18,22,26H,2-9,15-16H2,1H3,(H,32,34)/t26-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 49n/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))
BDBM71017
PNG
(US9546164, 165 | US9694002, 165)
Show SMILES COC[C@@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CC1)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C28H33Cl2FN2O5S/c1-37-16-26(19-10-20(29)12-21(30)11-19)33-8-6-17(7-9-33)15-38-27-14-25(31)24(13-23(27)18-2-3-18)28(34)32-39(35,36)22-4-5-22/h10-14,17-18,22,26H,2-9,15-16H2,1H3,(H,32,34)/t26-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.30n/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))
BDBM71017
PNG
(US9546164, 165 | US9694002, 165)
Show SMILES COC[C@@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CC1)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C28H33Cl2FN2O5S/c1-37-16-26(19-10-20(29)12-21(30)11-19)33-8-6-17(7-9-33)15-38-27-14-25(31)24(13-23(27)18-2-3-18)28(34)32-39(35,36)22-4-5-22/h10-14,17-18,22,26H,2-9,15-16H2,1H3,(H,32,34)/t26-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.40n/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))
BDBM71017
PNG
(US9546164, 165 | US9694002, 165)
Show SMILES COC[C@@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CC1)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C28H33Cl2FN2O5S/c1-37-16-26(19-10-20(29)12-21(30)11-19)33-8-6-17(7-9-33)15-38-27-14-25(31)24(13-23(27)18-2-3-18)28(34)32-39(35,36)22-4-5-22/h10-14,17-18,22,26H,2-9,15-16H2,1H3,(H,32,34)/t26-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 4.80n/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