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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 = 'BDBM196474'   
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))
BDBM196474
PNG
(US10202344, Compound 115 | US9212139, 115)
Show SMILES OC[C@@H](O)Cc1cn(-c2ccc(Oc3ccc(F)cc3)cc2)c2c(cccc12)C#N
Show InChI InChI=1S/C24H19FN2O3/c25-18-4-8-21(9-5-18)30-22-10-6-19(7-11-22)27-14-17(12-20(29)15-28)23-3-1-2-16(13-26)24(23)27/h1-11,14,20,28-29H,12,15H2/t20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 474n/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))
BDBM196474
PNG
(US10202344, Compound 115 | US9212139, 115)
Show SMILES OC[C@@H](O)Cc1cn(-c2ccc(Oc3ccc(F)cc3)cc2)c2c(cccc12)C#N
Show InChI InChI=1S/C24H19FN2O3/c25-18-4-8-21(9-5-18)30-22-10-6-19(7-11-22)27-14-17(12-20(29)15-28)23-3-1-2-16(13-26)24(23)27/h1-11,14,20,28-29H,12,15H2/t20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 474n/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