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BDBM162524 US9056832, 143::US9611222, Example 143

SMILES: NC(=O)c1cc(cc(n1)N(CC(O)=O)c1ccccc1)-c1ccc(Oc2ccc(F)cc2)cc1

InChI Key: InChIKey=ITYXCVLKQMAARD-UHFFFAOYSA-N

Data: 2 IC50

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 = 162524   
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))
BDBM162524
PNG
(US9056832, 143 | US9611222, Example 143)
Show SMILES NC(=O)c1cc(cc(n1)N(CC(O)=O)c1ccccc1)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C26H20FN3O4/c27-19-8-12-22(13-9-19)34-21-10-6-17(7-11-21)18-14-23(26(28)33)29-24(15-18)30(16-25(31)32)20-4-2-1-3-5-20/h1-15H,16H2,(H2,28,33)(H,31,32)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
US Patent
n/an/a>2.00E+4n/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9611222 (2017)


Article DOI: 10.1016/j.bmcl.2005.05.116
BindingDB Entry DOI: 10.7270/Q22J6DZJ
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM162524
PNG
(US9056832, 143 | US9611222, Example 143)
Show SMILES NC(=O)c1cc(cc(n1)N(CC(O)=O)c1ccccc1)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C26H20FN3O4/c27-19-8-12-22(13-9-19)34-21-10-6-17(7-11-21)18-14-23(26(28)33)29-24(15-18)30(16-25(31)32)20-4-2-1-3-5-20/h1-15H,16H2,(H2,28,33)(H,31,32)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a>2.00E+4n/an/an/an/an/an/a



Purdue Pharma LP

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 US9056832 (2015)


BindingDB Entry DOI: 10.7270/Q2NC5ZXW
More data for this
Ligand-Target Pair