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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium channel protein type 9 subunit alpha' and Ligand = 'BDBM145622'   
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))
BDBM145622
PNG
(US8952169, 425)
Show SMILES CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CCC(CC1)C(F)(F)F
Show InChI InChI=1S/C20H25F4NO4S/c1-19(7-5-13(6-8-19)20(22,23)24)11-29-17-10-16(21)15(9-14(17)12-3-4-12)18(26)25-30(2,27)28/h9-10,12-13H,3-8,11H2,1-2H3,(H,25,26)
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))
BDBM145622
PNG
(US8952169, 425)
Show SMILES CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CCC(CC1)C(F)(F)F
Show InChI InChI=1S/C20H25F4NO4S/c1-19(7-5-13(6-8-19)20(22,23)24)11-29-17-10-16(21)15(9-14(17)12-3-4-12)18(26)25-30(2,27)28/h9-10,12-13H,3-8,11H2,1-2H3,(H,25,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 59n/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