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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 = 'BDBM229646'   
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))
BDBM229646
PNG
(BDBM229674 | US9334269, J)
Show SMILES CNC(=O)c1cccc(Nc2nccc(n2)N2CC(C2)Oc2ccc(F)cc2C)c1
Show InChI InChI=1S/C22H22FN5O2/c1-14-10-16(23)6-7-19(14)30-18-12-28(13-18)20-8-9-25-22(27-20)26-17-5-3-4-15(11-17)21(29)24-2/h3-11,18H,12-13H2,1-2H3,(H,24,29)(H,25,26,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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MCE
PC cid
PC sid
PDB
UniChem
PDB
US Patent
n/an/a 80n/an/an/an/an/an/a



AMGEN INC.

US Patent


Assay Description
Compounds were tested on human Nav1.7 (hNav1.7) expressed stably in 293 cells, which have no endogenous sodium channels. Two forms of whole-cell patc...


US Patent US9334269 (2016)


BindingDB Entry DOI: 10.7270/Q2M32TNF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM229646
PNG
(BDBM229674 | US9334269, J)
Show SMILES CNC(=O)c1cccc(Nc2nccc(n2)N2CC(C2)Oc2ccc(F)cc2C)c1
Show InChI InChI=1S/C22H22FN5O2/c1-14-10-16(23)6-7-19(14)30-18-12-28(13-18)20-8-9-25-22(27-20)26-17-5-3-4-15(11-17)21(29)24-2/h3-11,18H,12-13H2,1-2H3,(H,24,29)(H,25,26,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
PDB
US Patent
n/an/a 80n/an/an/an/an/an/a



AMGEN INC.

US Patent


Assay Description
Compounds were tested on human Nav1.7 (hNav1.7) expressed stably in 293 cells, which have no endogenous sodium channels. Two forms of whole-cell patc...


US Patent US9334269 (2016)


BindingDB Entry DOI: 10.7270/Q2M32TNF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)