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BDBM145235 US8952169, 14::US9771376, Example 14

SMILES: C[C@H]1[C@@H]2C[C@H](C[C@@H]1Oc1cc(F)c(cc1Cl)C(=O)NS(C)(=O)=O)C2(C)C

InChI Key: InChIKey=LQCWTVZGJKBTDW-ZVFAVSMONA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 145235   
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))
BDBM145235
PNG
(US8952169, 14 | US9771376, Example 14)
Show SMILES C[C@H]1[C@@H]2C[C@H](C[C@@H]1Oc1cc(F)c(cc1Cl)C(=O)NS(C)(=O)=O)C2(C)C |r|
Show InChI InChI=1/C18H23ClFNO4S/c1-9-12-5-10(18(12,2)3)6-15(9)25-16-8-14(20)11(7-13(16)19)17(22)21-26(4,23)24/h7-10,12,15H,5-6H2,1-4H3,(H,21,22)/t9-,10+,12-,15-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 320n/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))
BDBM145235
PNG
(US8952169, 14 | US9771376, Example 14)
Show SMILES C[C@H]1[C@@H]2C[C@H](C[C@@H]1Oc1cc(F)c(cc1Cl)C(=O)NS(C)(=O)=O)C2(C)C |r|
Show InChI InChI=1/C18H23ClFNO4S/c1-9-12-5-10(18(12,2)3)6-15(9)25-16-8-14(20)11(7-13(16)19)17(22)21-26(4,23)24/h7-10,12,15H,5-6H2,1-4H3,(H,21,22)/t9-,10+,12-,15-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 37.7n/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))
BDBM145235
PNG
(US8952169, 14 | US9771376, Example 14)
Show SMILES C[C@H]1[C@@H]2C[C@H](C[C@@H]1Oc1cc(F)c(cc1Cl)C(=O)NS(C)(=O)=O)C2(C)C |r|
Show InChI InChI=1/C18H23ClFNO4S/c1-9-12-5-10(18(12,2)3)6-15(9)25-16-8-14(20)11(7-13(16)19)17(22)21-26(4,23)24/h7-10,12,15H,5-6H2,1-4H3,(H,21,22)/t9-,10+,12-,15-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 37.7n/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