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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 = 'BDBM190549'   
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))
BDBM190549
PNG
(US9181185, 30e | US9624194, Compound 30e)
Show SMILES NC(=O)[C@@H](O)[C@H](O)c1cccc(n1)-c1ccc(Oc2ccc(C#N)c(c2)C(F)(F)F)cc1 |r|
Show InChI InChI=1S/C22H16F3N3O4/c23-22(24,25)16-10-15(9-6-13(16)11-26)32-14-7-4-12(5-8-14)17-2-1-3-18(28-17)19(29)20(30)21(27)31/h1-10,19-20,29-30H,(H2,27,31)/t19-,20+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 461n/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 US9624194 (2017)


BindingDB Entry DOI: 10.7270/Q2BP04VG
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM190549
PNG
(US9181185, 30e | US9624194, Compound 30e)
Show SMILES NC(=O)[C@@H](O)[C@H](O)c1cccc(n1)-c1ccc(Oc2ccc(C#N)c(c2)C(F)(F)F)cc1 |r|
Show InChI InChI=1S/C22H16F3N3O4/c23-22(24,25)16-10-15(9-6-13(16)11-26)32-14-7-4-12(5-8-14)17-2-1-3-18(28-17)19(29)20(30)21(27)31/h1-10,19-20,29-30H,(H2,27,31)/t19-,20+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 461n/an/an/an/an/a37



Purdue Pharma L.P.

US Patent


Assay Description
FLIPRŽ or FLIPRTETRAŽ Sodium Dye Assay with KCl and Test Article Pre-Incubation: Cells were prepared by plating the recombinant HEK293 cells or other...


US Patent US9181185 (2015)


BindingDB Entry DOI: 10.7270/Q2PC315D
More data for this
Ligand-Target Pair