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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 = 'BDBM145291'   
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))
BDBM145291
PNG
(US8952169, 70 | US9771376, Example 70)
Show SMILES Fc1cc(OCC23CC4CC(CC(C4)C2)C3)c(Cl)cc1C(=O)NS(=O)(=O)N1CCC1 |TLB:15:6:13:9.10.11,THB:5:6:13:9.10.11,15:10:13:6.14.7,14:6:9:13.12.11,14:12:9:6.15.7|
Show InChI InChI=1S/C21H26ClFN2O4S/c22-17-7-16(20(26)24-30(27,28)25-2-1-3-25)18(23)8-19(17)29-12-21-9-13-4-14(10-21)6-15(5-13)11-21/h7-8,13-15H,1-6,9-12H2,(H,24,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 21n/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))
BDBM145291
PNG
(US8952169, 70 | US9771376, Example 70)
Show SMILES Fc1cc(OCC23CC4CC(CC(C4)C2)C3)c(Cl)cc1C(=O)NS(=O)(=O)N1CCC1 |TLB:15:6:13:9.10.11,THB:5:6:13:9.10.11,15:10:13:6.14.7,14:6:9:13.12.11,14:12:9:6.15.7|
Show InChI InChI=1S/C21H26ClFN2O4S/c22-17-7-16(20(26)24-30(27,28)25-2-1-3-25)18(23)8-19(17)29-12-21-9-13-4-14(10-21)6-15(5-13)11-21/h7-8,13-15H,1-6,9-12H2,(H,24,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 36.8n/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))
BDBM145291
PNG
(US8952169, 70 | US9771376, Example 70)
Show SMILES Fc1cc(OCC23CC4CC(CC(C4)C2)C3)c(Cl)cc1C(=O)NS(=O)(=O)N1CCC1 |TLB:15:6:13:9.10.11,THB:5:6:13:9.10.11,15:10:13:6.14.7,14:6:9:13.12.11,14:12:9:6.15.7|
Show InChI InChI=1S/C21H26ClFN2O4S/c22-17-7-16(20(26)24-30(27,28)25-2-1-3-25)18(23)8-19(17)29-12-21-9-13-4-14(10-21)6-15(5-13)11-21/h7-8,13-15H,1-6,9-12H2,(H,24,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 36.8n/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