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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 = 'BDBM258159'   
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))
BDBM258159
PNG
(US9493448, 61 | US9845313, Example 61)
Show SMILES CCc1cc(c(F)cc1O[C@H]1CCC[C@@H]1c1ccnn1C)S(=O)(=O)Nc1ccncn1 |r|
Show InChI InChI=1S/C21H24FN5O3S/c1-3-14-11-20(31(28,29)26-21-8-9-23-13-24-21)16(22)12-19(14)30-18-6-4-5-15(18)17-7-10-25-27(17)2/h7-13,15,18H,3-6H2,1-2H3,(H,23,24,26)/t15-,18+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.60n/an/an/an/a7.337



DAIICHI SANKYO COMPANY, LIMITED

US Patent


Assay Description
Current record was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. The o...


US Patent US9493448 (2016)


BindingDB Entry DOI: 10.7270/Q29022QD
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM258159
PNG
(US9493448, 61 | US9845313, Example 61)
Show SMILES CCc1cc(c(F)cc1O[C@H]1CCC[C@@H]1c1ccnn1C)S(=O)(=O)Nc1ccncn1 |r|
Show InChI InChI=1S/C21H24FN5O3S/c1-3-14-11-20(31(28,29)26-21-8-9-23-13-24-21)16(22)12-19(14)30-18-6-4-5-15(18)17-7-10-25-27(17)2/h7-13,15,18H,3-6H2,1-2H3,(H,23,24,26)/t15-,18+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.60n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by PatchXpress method


Bioorg Med Chem Lett 24: 3690-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.038
BindingDB Entry DOI: 10.7270/Q2KS6VJM
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM258159
PNG
(US9493448, 61 | US9845313, Example 61)
Show SMILES CCc1cc(c(F)cc1O[C@H]1CCC[C@@H]1c1ccnn1C)S(=O)(=O)Nc1ccncn1 |r|
Show InChI InChI=1S/C21H24FN5O3S/c1-3-14-11-20(31(28,29)26-21-8-9-23-13-24-21)16(22)12-19(14)30-18-6-4-5-15(18)17-7-10-25-27(17)2/h7-13,15,18H,3-6H2,1-2H3,(H,23,24,26)/t15-,18+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.60n/an/an/an/an/an/a



DAIICHI SANKYO COMPANY, LIMITED

US Patent


Assay Description
Current record was obtained by an automated patch clamp system “IonWorks Quattro (Molecular Devices Corporation)” in Population Patch Clamp mode. The...


US Patent US9845313 (2017)


BindingDB Entry DOI: 10.7270/Q25141H5
More data for this
Ligand-Target Pair