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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 = 'BDBM185963'   
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))
BDBM185963
PNG
(US9163008, 52 | US9656968, Compound 52)
Show SMILES CC1(C)OCC(CN(c2cc(nc(n2)-c2ccc(Oc3ccc(F)cc3)cc2)C(N)=O)S(C)(=O)=O)O1
Show InChI InChI=1S/C24H25FN4O6S/c1-24(2)33-14-19(35-24)13-29(36(3,31)32)21-12-20(22(26)30)27-23(28-21)15-4-8-17(9-5-15)34-18-10-6-16(25)7-11-18/h4-12,19H,13-14H2,1-3H3,(H2,26,30)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 88n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Assay Buffer: The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL...


US Patent US9656968 (2017)


BindingDB Entry DOI: 10.7270/Q2F76FMS
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM185963
PNG
(US9163008, 52 | US9656968, Compound 52)
Show SMILES CC1(C)OCC(CN(c2cc(nc(n2)-c2ccc(Oc3ccc(F)cc3)cc2)C(N)=O)S(C)(=O)=O)O1
Show InChI InChI=1S/C24H25FN4O6S/c1-24(2)33-14-19(35-24)13-29(36(3,31)32)21-12-20(22(26)30)27-23(28-21)15-4-8-17(9-5-15)34-18-10-6-16(25)7-11-18/h4-12,19H,13-14H2,1-3H3,(H2,26,30)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 88n/an/an/an/an/an/a



Purdue Pharma, L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9163008 (2015)


BindingDB Entry DOI: 10.7270/Q2G44P21
More data for this
Ligand-Target Pair