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BDBM145244 US8952169, 23::US9771376, Example 23

SMILES: CC12CC3CC(C)(C1)CC(COc1cc(F)c(cc1Cl)C(=O)NS(C)(=O)=O)(C3)C2

InChI Key: InChIKey=QVWNXTVMXHWOGP-UHFFFAOYNA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 145244   
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))
BDBM145244
PNG
(US8952169, 23 | US9771376, Example 23)
Show SMILES CC12CC3CC(C)(C1)CC(COc1cc(F)c(cc1Cl)C(=O)NS(C)(=O)=O)(C3)C2 |TLB:27:9:7:4.3.2,10:9:4:7.1.2,THB:27:3:7:9.28.8,28:9:4:7.1.2,28:1:4:9.27.8|
Show InChI InChI=1/C21H27ClFNO4S/c1-19-6-13-7-20(2,9-19)11-21(8-13,10-19)12-28-17-5-16(23)14(4-15(17)22)18(25)24-29(3,26)27/h4-5,13H,6-12H2,1-3H3,(H,24,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 13n/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 9 subunit alpha


(Homo sapiens (Human))
BDBM145244
PNG
(US8952169, 23 | US9771376, Example 23)
Show SMILES CC12CC3CC(C)(C1)CC(COc1cc(F)c(cc1Cl)C(=O)NS(C)(=O)=O)(C3)C2 |TLB:27:9:7:4.3.2,10:9:4:7.1.2,THB:27:3:7:9.28.8,28:9:4:7.1.2,28:1:4:9.27.8|
Show InChI InChI=1/C21H27ClFNO4S/c1-19-6-13-7-20(2,9-19)11-21(8-13,10-19)12-28-17-5-16(23)14(4-15(17)22)18(25)24-29(3,26)27/h4-5,13H,6-12H2,1-3H3,(H,24,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 22.9n/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))
BDBM145244
PNG
(US8952169, 23 | US9771376, Example 23)
Show SMILES CC12CC3CC(C)(C1)CC(COc1cc(F)c(cc1Cl)C(=O)NS(C)(=O)=O)(C3)C2 |TLB:27:9:7:4.3.2,10:9:4:7.1.2,THB:27:3:7:9.28.8,28:9:4:7.1.2,28:1:4:9.27.8|
Show InChI InChI=1/C21H27ClFNO4S/c1-19-6-13-7-20(2,9-19)11-21(8-13,10-19)12-28-17-5-16(23)14(4-15(17)22)18(25)24-29(3,26)27/h4-5,13H,6-12H2,1-3H3,(H,24,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 22.9n/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