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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 = 'BDBM179920'   
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))
BDBM179920
PNG
(US9133131, 11)
Show SMILES NC(=O)c1cc(nc(n1)-c1ccc(Oc2ccc(c(c2)[N+]#[C-])C(F)(F)F)cc1)[C@H](O)CO |r|
Show InChI InChI=1S/C21H15F3N4O4/c1-26-15-8-13(6-7-14(15)21(22,23)24)32-12-4-2-11(3-5-12)20-27-16(18(30)10-29)9-17(28-20)19(25)31/h2-9,18,29-30H,10H2,(H2,25,31)/t18-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

US Patent
147n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Electrophysiology: On the day of experimentation, the 35 mm dish was placed on the stage of an inverted microscope equipped with a perfusion system t...


US Patent US9133131 (2015)


BindingDB Entry DOI: 10.7270/Q23B5XX5
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM179920
PNG
(US9133131, 11)
Show SMILES NC(=O)c1cc(nc(n1)-c1ccc(Oc2ccc(c(c2)[N+]#[C-])C(F)(F)F)cc1)[C@H](O)CO |r|
Show InChI InChI=1S/C21H15F3N4O4/c1-26-15-8-13(6-7-14(15)21(22,23)24)32-12-4-2-11(3-5-12)20-27-16(18(30)10-29)9-17(28-20)19(25)31/h2-9,18,29-30H,10H2,(H2,25,31)/t18-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 279n/an/an/an/a7.3n/a



Purdue Pharma L.P.

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 US9133131 (2015)


BindingDB Entry DOI: 10.7270/Q23B5XX5
More data for this
Ligand-Target Pair