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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Sodium channel protein type 9 subunit alpha' and Ligand = 'BDBM145637'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM145637
PNG
(US8952169, 442 | US8952169, 443)
Show SMILES Fc1cc(OCC2CCCC(F)(F)C2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
Show InChI InChI=1S/C20H24F3NO4S/c21-17-9-18(28-11-12-2-1-7-20(22,23)10-12)15(13-3-4-13)8-16(17)19(25)24-29(26,27)14-5-6-14/h8-9,12-14H,1-7,10-11H2,(H,24,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 4n/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))
BDBM145637
PNG
(US8952169, 442 | US8952169, 443)
Show SMILES Fc1cc(OCC2CCCC(F)(F)C2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
Show InChI InChI=1S/C20H24F3NO4S/c21-17-9-18(28-11-12-2-1-7-20(22,23)10-12)15(13-3-4-13)8-16(17)19(25)24-29(26,27)14-5-6-14/h8-9,12-14H,1-7,10-11H2,(H,24,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 4n/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))
BDBM145637
PNG
(US8952169, 442 | US8952169, 443)
Show SMILES Fc1cc(OCC2CCCC(F)(F)C2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
Show InChI InChI=1S/C20H24F3NO4S/c21-17-9-18(28-11-12-2-1-7-20(22,23)10-12)15(13-3-4-13)8-16(17)19(25)24-29(26,27)14-5-6-14/h8-9,12-14H,1-7,10-11H2,(H,24,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 6n/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))
BDBM145637
PNG
(US8952169, 442 | US8952169, 443)
Show SMILES Fc1cc(OCC2CCCC(F)(F)C2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
Show InChI InChI=1S/C20H24F3NO4S/c21-17-9-18(28-11-12-2-1-7-20(22,23)10-12)15(13-3-4-13)8-16(17)19(25)24-29(26,27)14-5-6-14/h8-9,12-14H,1-7,10-11H2,(H,24,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 6n/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