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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Sodium channel protein type 9 subunit alpha' and Ligand = 'BDBM145293'   
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))
BDBM145293
PNG
(US8952169, 72 | US9771376, Example 72)
Show SMILES COCCS(=O)(=O)NC(=O)c1cc(Cl)c(OCC23CC4CC(CC(C4)C2)C3)cc1F |TLB:26:17:24:20.21.22,THB:26:21:24:17.25.18,16:17:24:20.21.22,25:17:20:24.23.22,25:23:20:17.26.18|
Show InChI InChI=1S/C21H27ClFNO5S/c1-28-2-3-30(26,27)24-20(25)16-7-17(22)19(8-18(16)23)29-12-21-9-13-4-14(10-21)6-15(5-13)11-21/h7-8,13-15H,2-6,9-12H2,1H3,(H,24,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 15.4n/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 9 subunit alpha


(Homo sapiens (Human))
BDBM145293
PNG
(US8952169, 72 | US9771376, Example 72)
Show SMILES COCCS(=O)(=O)NC(=O)c1cc(Cl)c(OCC23CC4CC(CC(C4)C2)C3)cc1F |TLB:26:17:24:20.21.22,THB:26:21:24:17.25.18,16:17:24:20.21.22,25:17:20:24.23.22,25:23:20:17.26.18|
Show InChI InChI=1S/C21H27ClFNO5S/c1-28-2-3-30(26,27)24-20(25)16-7-17(22)19(8-18(16)23)29-12-21-9-13-4-14(10-21)6-15(5-13)11-21/h7-8,13-15H,2-6,9-12H2,1H3,(H,24,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 15.4n/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))
BDBM145293
PNG
(US8952169, 72 | US9771376, Example 72)
Show SMILES COCCS(=O)(=O)NC(=O)c1cc(Cl)c(OCC23CC4CC(CC(C4)C2)C3)cc1F |TLB:26:17:24:20.21.22,THB:26:21:24:17.25.18,16:17:24:20.21.22,25:17:20:24.23.22,25:23:20:17.26.18|
Show InChI InChI=1S/C21H27ClFNO5S/c1-28-2-3-30(26,27)24-20(25)16-7-17(22)19(8-18(16)23)29-12-21-9-13-4-14(10-21)6-15(5-13)11-21/h7-8,13-15H,2-6,9-12H2,1H3,(H,24,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 76n/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