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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 = 'BDBM444926'   
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))
BDBM444926
PNG
(6-((2,4'-difluoro-5-methoxy-3'-(trifluoromethoxy)-...)
Show SMILES CNC(=O)N(c1ccc(cn1)S(=O)(=O)Nc1ncccn1)c1cc(F)c(cc1OC)-c1ccc(F)c(OC(F)(F)F)c1
Show InChI InChI=1S/C25H19F5N6O5S/c1-31-24(37)36(22-7-5-15(13-34-22)42(38,39)35-23-32-8-3-9-33-23)19-12-18(27)16(11-21(19)40-2)14-4-6-17(26)20(10-14)41-25(28,29)30/h3-13H,1-2H3,(H,31,37)(H,32,33,35)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 14n/an/an/an/an/an/a



AMGEN INC.

US Patent


Assay Description
HEK 293 cells stably transfected with human Nav1.7 were recorded in whole cell voltage clamp mode with the PatchXpress automated electrophysiology sy...


US Patent US10668067 (2020)


BindingDB Entry DOI: 10.7270/Q2QC06K1
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM444926
PNG
(6-((2,4'-difluoro-5-methoxy-3'-(trifluoromethoxy)-...)
Show SMILES CNC(=O)N(c1ccc(cn1)S(=O)(=O)Nc1ncccn1)c1cc(F)c(cc1OC)-c1ccc(F)c(OC(F)(F)F)c1
Show InChI InChI=1S/C25H19F5N6O5S/c1-31-24(37)36(22-7-5-15(13-34-22)42(38,39)35-23-32-8-3-9-33-23)19-12-18(27)16(11-21(19)40-2)14-4-6-17(26)20(10-14)41-25(28,29)30/h3-13H,1-2H3,(H,31,37)(H,32,33,35)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 19n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128892
BindingDB Entry DOI: 10.7270/Q29027RX
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Mus musculus)
BDBM444926
PNG
(6-((2,4'-difluoro-5-methoxy-3'-(trifluoromethoxy)-...)
Show SMILES CNC(=O)N(c1ccc(cn1)S(=O)(=O)Nc1ncccn1)c1cc(F)c(cc1OC)-c1ccc(F)c(OC(F)(F)F)c1
Show InChI InChI=1S/C25H19F5N6O5S/c1-31-24(37)36(22-7-5-15(13-34-22)42(38,39)35-23-32-8-3-9-33-23)19-12-18(27)16(11-21(19)40-2)14-4-6-17(26)20(10-14)41-25(28,29)30/h3-13H,1-2H3,(H,31,37)(H,32,33,35)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 19n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128892
BindingDB Entry DOI: 10.7270/Q29027RX
More data for this
Ligand-Target Pair