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BDBM145229 US8952169, 8::US9771376, Example 8

SMILES: CC1(C)[C@@H]2C[C@H]1[C@@H](COc1cc(F)c(cc1Cl)C(=O)NS(C)(=O)=O)CC2

InChI Key: InChIKey=PFDGMDBCUUBXKJ-MLDCOLDMNA-N

Data: 5 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 5 hits for monomerid = 145229   
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 protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM145229
PNG
(US8952169, 8 | US9771376, Example 8)
Show SMILES CC1(C)[C@@H]2C[C@H]1[C@@H](COc1cc(F)c(cc1Cl)C(=O)NS(C)(=O)=O)CC2 |r|
Show InChI InChI=1/C18H23ClFNO4S/c1-18(2)11-5-4-10(13(18)6-11)9-25-16-8-15(20)12(7-14(16)19)17(22)21-26(3,23)24/h7-8,10-11,13H,4-6,9H2,1-3H3,(H,21,22)/t10-,11+,13+/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 12n/an/an/an/a7.425



Xenon Pharmaceuticals Inc.; Genentech, Inc.

US Patent


Assay Description
Radioligand Binding Studies: Saturation experiments. A representative compound of formula (I) was tritiated. Three tritiums were incorporated in plac...


US Patent US8952169 (2015)


BindingDB Entry DOI: 10.7270/Q2M04445
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM145229
PNG
(US8952169, 8 | US9771376, Example 8)
Show SMILES CC1(C)[C@@H]2C[C@H]1[C@@H](COc1cc(F)c(cc1Cl)C(=O)NS(C)(=O)=O)CC2 |r|
Show InChI InChI=1/C18H23ClFNO4S/c1-18(2)11-5-4-10(13(18)6-11)9-25-16-8-15(20)12(7-14(16)19)17(22)21-26(3,23)24/h7-8,10-11,13H,4-6,9H2,1-3H3,(H,21,22)/t10-,11+,13+/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.07E+3n/an/an/an/an/a37



Xenon Pharmaceuticals Inc.; Genentech, 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 all...


US Patent US8952169 (2015)


BindingDB Entry DOI: 10.7270/Q2M04445
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM145229
PNG
(US8952169, 8 | US9771376, Example 8)
Show SMILES CC1(C)[C@@H]2C[C@H]1[C@@H](COc1cc(F)c(cc1Cl)C(=O)NS(C)(=O)=O)CC2 |r|
Show InChI InChI=1/C18H23ClFNO4S/c1-18(2)11-5-4-10(13(18)6-11)9-25-16-8-15(20)12(7-14(16)19)17(22)21-26(3,23)24/h7-8,10-11,13H,4-6,9H2,1-3H3,(H,21,22)/t10-,11+,13+/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.07E+3n/an/an/an/an/an/a



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent




US Patent US9771376 (2017)


BindingDB Entry DOI: 10.7270/Q2W0983R
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM145229
PNG
(US8952169, 8 | US9771376, Example 8)
Show SMILES CC1(C)[C@@H]2C[C@H]1[C@@H](COc1cc(F)c(cc1Cl)C(=O)NS(C)(=O)=O)CC2 |r|
Show InChI InChI=1/C18H23ClFNO4S/c1-18(2)11-5-4-10(13(18)6-11)9-25-16-8-15(20)12(7-14(16)19)17(22)21-26(3,23)24/h7-8,10-11,13H,4-6,9H2,1-3H3,(H,21,22)/t10-,11+,13+/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.80n/an/an/an/an/an/a



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent




US Patent US9771376 (2017)


BindingDB Entry DOI: 10.7270/Q2W0983R
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM145229
PNG
(US8952169, 8 | US9771376, Example 8)
Show SMILES CC1(C)[C@@H]2C[C@H]1[C@@H](COc1cc(F)c(cc1Cl)C(=O)NS(C)(=O)=O)CC2 |r|
Show InChI InChI=1/C18H23ClFNO4S/c1-18(2)11-5-4-10(13(18)6-11)9-25-16-8-15(20)12(7-14(16)19)17(22)21-26(3,23)24/h7-8,10-11,13H,4-6,9H2,1-3H3,(H,21,22)/t10-,11+,13+/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.80n/an/an/an/an/a37



Xenon Pharmaceuticals Inc.; Genentech, 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 all...


US Patent US8952169 (2015)


BindingDB Entry DOI: 10.7270/Q2M04445
More data for this
Ligand-Target Pair