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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Sodium channel protein type 9 subunit alpha' and Ligand = 'BDBM190562'   
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))
BDBM190562
PNG
(US9181185, 26 | US9624194, Compound 26)
Show SMILES NC(=O)[C@H](O)[C@@H](O)c1ccnc(n1)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C19H16FN3O4/c20-12-3-7-14(8-4-12)27-13-5-1-11(2-6-13)19-22-10-9-15(23-19)16(24)17(25)18(21)26/h1-10,16-17,24-25H,(H2,21,26)/t16-,17+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
2.26E+3 -33.5n/an/an/an/an/an/a37



Purdue Pharma L.P.

US Patent


Assay Description
Cells: The hNav1.7 expressing HEK-293 cells were plated on 35 mm culture dishes pre-coated with poly-D-lysine in standard DMEM culture media (Media...


US Patent US9181185 (2015)


BindingDB Entry DOI: 10.7270/Q2PC315D
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM190562
PNG
(US9181185, 26 | US9624194, Compound 26)
Show SMILES NC(=O)[C@H](O)[C@@H](O)c1ccnc(n1)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C19H16FN3O4/c20-12-3-7-14(8-4-12)27-13-5-1-11(2-6-13)19-22-10-9-15(23-19)16(24)17(25)18(21)26/h1-10,16-17,24-25H,(H2,21,26)/t16-,17+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 625n/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))
BDBM190562
PNG
(US9181185, 26 | US9624194, Compound 26)
Show SMILES NC(=O)[C@H](O)[C@@H](O)c1ccnc(n1)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C19H16FN3O4/c20-12-3-7-14(8-4-12)27-13-5-1-11(2-6-13)19-22-10-9-15(23-19)16(24)17(25)18(21)26/h1-10,16-17,24-25H,(H2,21,26)/t16-,17+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 625n/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