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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 = 'BDBM176469'   
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))
BDBM176469
PNG
(US9120752, 12 | US9765029, 12)
Show SMILES CC1(C)C2CCC1(CS(=O)(=O)N1CCN(CC1)C(=O)c1cccc(n1)-c1ccc(Oc3ccc(F)cc3)cc1)C(=O)C2 |TLB:40:39:4.5:1|
Show InChI InChI=1S/C32H34FN3O5S/c1-31(2)23-14-15-32(31,29(37)20-23)21-42(39,40)36-18-16-35(17-19-36)30(38)28-5-3-4-27(34-28)22-6-10-25(11-7-22)41-26-12-8-24(33)9-13-26/h3-13,23H,14-21H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 140n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
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 of 10×HBSS th...


US Patent US9765029 (2017)


BindingDB Entry DOI: 10.7270/Q2FX7CKS
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM176469
PNG
(US9120752, 12 | US9765029, 12)
Show SMILES CC1(C)C2CCC1(CS(=O)(=O)N1CCN(CC1)C(=O)c1cccc(n1)-c1ccc(Oc3ccc(F)cc3)cc1)C(=O)C2 |TLB:40:39:4.5:1|
Show InChI InChI=1S/C32H34FN3O5S/c1-31(2)23-14-15-32(31,29(37)20-23)21-42(39,40)36-18-16-35(17-19-36)30(38)28-5-3-4-27(34-28)22-6-10-25(11-7-22)41-26-12-8-24(33)9-13-26/h3-13,23H,14-21H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 140n/an/an/an/an/a37



Purdue Pharma, L.P.

US Patent


Assay Description
Cells were prepared by plating the recombinant HEK293 cells or other host cells expressing either recombinant or non-recombinant, native, Nav1.7 alph...


US Patent US9120752 (2015)


BindingDB Entry DOI: 10.7270/Q2B56HHN
More data for this
Ligand-Target Pair