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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 = 'BDBM190541'   
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))
BDBM190541
PNG
(US9181185, 30b | US9624194, Compound 30b)
Show SMILES NC(=O)[C@@H](O)[C@H](O)c1cccc(n1)-c1ccc(Oc2ccc(cc2)C(F)(F)F)cc1 |r|
Show InChI InChI=1S/C21H17F3N2O4/c22-21(23,24)13-6-10-15(11-7-13)30-14-8-4-12(5-9-14)16-2-1-3-17(26-16)18(27)19(28)20(25)29/h1-11,18-19,27-28H,(H2,25,29)/t18-,19+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 130n/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))
BDBM190541
PNG
(US9181185, 30b | US9624194, Compound 30b)
Show SMILES NC(=O)[C@@H](O)[C@H](O)c1cccc(n1)-c1ccc(Oc2ccc(cc2)C(F)(F)F)cc1 |r|
Show InChI InChI=1S/C21H17F3N2O4/c22-21(23,24)13-6-10-15(11-7-13)30-14-8-4-12(5-9-14)16-2-1-3-17(26-16)18(27)19(28)20(25)29/h1-11,18-19,27-28H,(H2,25,29)/t18-,19+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 130n/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