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SMILES: NC(=O)[C@@H](O)[C@H](O)c1cn(-c2ccc(Oc3ccc(cn3)C(F)(F)F)cc2)c2ccccc12

InChI Key: InChIKey=LGQCXQLQZDVWKA-RTWAWAEBSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 190558   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM190558
PNG
(US9181185, 8 | US9624194, Compound 8)
Show SMILES NC(=O)[C@@H](O)[C@H](O)c1cn(-c2ccc(Oc3ccc(cn3)C(F)(F)F)cc2)c2ccccc12
Show InChI InChI=1S/C23H18F3N3O4/c24-23(25,26)13-5-10-19(28-11-13)33-15-8-6-14(7-9-15)29-12-17(20(30)21(31)22(27)32)16-3-1-2-4-18(16)29/h1-12,20-21,30-31H,(H2,27,32)/t20-,21+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 193n/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))
BDBM190558
PNG
(US9181185, 8 | US9624194, Compound 8)
Show SMILES NC(=O)[C@@H](O)[C@H](O)c1cn(-c2ccc(Oc3ccc(cn3)C(F)(F)F)cc2)c2ccccc12
Show InChI InChI=1S/C23H18F3N3O4/c24-23(25,26)13-5-10-19(28-11-13)33-15-8-6-14(7-9-15)29-12-17(20(30)21(31)22(27)32)16-3-1-2-4-18(16)29/h1-12,20-21,30-31H,(H2,27,32)/t20-,21+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 193n/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