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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 = 'BDBM196496'   
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))
BDBM196496
PNG
(US10202344, Compound 196 | US9212139, 196)
Show SMILES N[C@H](CO)Cc1cn(-c2ccc(Oc3ccc(cn3)C(F)(F)F)cc2)c2ccccc12
Show InChI InChI=1S/C23H20F3N3O2/c24-23(25,26)16-5-10-22(28-12-16)31-19-8-6-18(7-9-19)29-13-15(11-17(27)14-30)20-3-1-2-4-21(20)29/h1-10,12-13,17,30H,11,14,27H2/t17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 340n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Recombinant Nav1.7 Cell Line: In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN...


US Patent US10202344 (2019)


BindingDB Entry DOI: 10.7270/Q2X350KJ
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM196496
PNG
(US10202344, Compound 196 | US9212139, 196)
Show SMILES N[C@H](CO)Cc1cn(-c2ccc(Oc3ccc(cn3)C(F)(F)F)cc2)c2ccccc12
Show InChI InChI=1S/C23H20F3N3O2/c24-23(25,26)16-5-10-22(28-12-16)31-19-8-6-18(7-9-19)29-13-15(11-17(27)14-30)20-3-1-2-4-21(20)29/h1-10,12-13,17,30H,11,14,27H2/t17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 340n/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 US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair