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SMILES: OC[C@@H](O)Cc1cn(-c2ccc(cc2)S(=O)(=O)Nc2ccc(F)cc2)c2ccccc12

InChI Key: InChIKey=OCGFKSGAKUPPQD-FQEVSTJZSA-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 = 196470   
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))
BDBM196470
PNG
(US10202344, Compound 92 | US9212139, 92)
Show SMILES OC[C@@H](O)Cc1cn(-c2ccc(cc2)S(=O)(=O)Nc2ccc(F)cc2)c2ccccc12
Show InChI InChI=1S/C23H21FN2O4S/c24-17-5-7-18(8-6-17)25-31(29,30)21-11-9-19(10-12-21)26-14-16(13-20(28)15-27)22-3-1-2-4-23(22)26/h1-12,14,20,25,27-28H,13,15H2/t20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.89E+3n/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 US10202344 (2019)


BindingDB Entry DOI: 10.7270/Q2X350KJ
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM196470
PNG
(US10202344, Compound 92 | US9212139, 92)
Show SMILES OC[C@@H](O)Cc1cn(-c2ccc(cc2)S(=O)(=O)Nc2ccc(F)cc2)c2ccccc12
Show InChI InChI=1S/C23H21FN2O4S/c24-17-5-7-18(8-6-17)25-31(29,30)21-11-9-19(10-12-21)26-14-16(13-20(28)15-27)22-3-1-2-4-23(22)26/h1-12,14,20,25,27-28H,13,15H2/t20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.89E+3n/an/an/an/a7.3n/a



Purdue Pharma, L.P.

US Patent


Assay Description
Assay Buffer: The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL...


US Patent US9212139 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W19
More data for this
Ligand-Target Pair