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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 = 'BDBM145307'   
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))
BDBM145307
PNG
(US8952169, 86 | US9771376, Example 86)
Show SMILES CS(=O)(=O)NC(=O)c1ccc(OCC23CC4CC(CC(C4)C2)C3)c(c1)C1CC1 |TLB:12:13:16:20.19.18,22:13:20:16.17.18,THB:21:13:16:20.19.18,21:19:16:13.22.14,22:17:20:13.21.14|
Show InChI InChI=1S/C22H29NO4S/c1-28(25,26)23-21(24)18-4-5-20(19(9-18)17-2-3-17)27-13-22-10-14-6-15(11-22)8-16(7-14)12-22/h4-5,9,14-17H,2-3,6-8,10-13H2,1H3,(H,23,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.31n/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))
BDBM145307
PNG
(US8952169, 86 | US9771376, Example 86)
Show SMILES CS(=O)(=O)NC(=O)c1ccc(OCC23CC4CC(CC(C4)C2)C3)c(c1)C1CC1 |TLB:12:13:16:20.19.18,22:13:20:16.17.18,THB:21:13:16:20.19.18,21:19:16:13.22.14,22:17:20:13.21.14|
Show InChI InChI=1S/C22H29NO4S/c1-28(25,26)23-21(24)18-4-5-20(19(9-18)17-2-3-17)27-13-22-10-14-6-15(11-22)8-16(7-14)12-22/h4-5,9,14-17H,2-3,6-8,10-13H2,1H3,(H,23,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.31n/an/an/an/an/an/a



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent




US Patent US9771376 (2017)

More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM145307
PNG
(US8952169, 86 | US9771376, Example 86)
Show SMILES CS(=O)(=O)NC(=O)c1ccc(OCC23CC4CC(CC(C4)C2)C3)c(c1)C1CC1 |TLB:12:13:16:20.19.18,22:13:20:16.17.18,THB:21:13:16:20.19.18,21:19:16:13.22.14,22:17:20:13.21.14|
Show InChI InChI=1S/C22H29NO4S/c1-28(25,26)23-21(24)18-4-5-20(19(9-18)17-2-3-17)27-13-22-10-14-6-15(11-22)8-16(7-14)12-22/h4-5,9,14-17H,2-3,6-8,10-13H2,1H3,(H,23,24)
PDB

KEGG

UniProtKB/SwissProt

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