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BDBM161354 US10087143, Compound 139::US9051270, 139::US9758483, Compound 139

SMILES: FC(F)(F)CCCOc1ccc(OC(F)(F)F)cc1C(=O)Nc1cc[nH]c(=O)c1

InChI Key: InChIKey=KWQPEPNSBUXWMG-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 161354   
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
Voltage-gated sodium channel subunit alpha Nav1.8


(Rattus norvegicus (Rat))
BDBM161354
PNG
(US10087143, Compound 139 | US9051270, 139 | US9758...)
Show SMILES FC(F)(F)CCCOc1ccc(OC(F)(F)F)cc1C(=O)Nc1cc[nH]c(=O)c1
Show InChI InChI=1S/C17H14F6N2O4/c18-16(19,20)5-1-7-28-13-3-2-11(29-17(21,22)23)9-12(13)15(27)25-10-4-6-24-14(26)8-10/h2-4,6,8-9H,1,5,7H2,(H2,24,25,26,27)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3.05E+3n/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

US Patent


Assay Description
Patch clamp electrophysiology was used to assess the efficacy and selectivity of sodium channel blockers in dorsal root ganglion neurons. Rat neurons...


US Patent US9051270 (2015)


BindingDB Entry DOI: 10.7270/Q2B27T1F
More data for this
Ligand-Target Pair
Sodium channel protein type 10 subunit alpha


(Homo sapiens (Human))
BDBM161354
PNG
(US10087143, Compound 139 | US9051270, 139 | US9758...)
Show SMILES FC(F)(F)CCCOc1ccc(OC(F)(F)F)cc1C(=O)Nc1cc[nH]c(=O)c1
Show InChI InChI=1S/C17H14F6N2O4/c18-16(19,20)5-1-7-28-13-3-2-11(29-17(21,22)23)9-12(13)15(27)25-10-4-6-24-14(26)8-10/h2-4,6,8-9H,1,5,7H2,(H2,24,25,26,27)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
US Patent
n/an/a 3.05E+3n/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

US Patent


Assay Description
1) Pre-spotted compounds (in neat DMSO) into compound plates. Vehicle control (neat DMSO), the positive control (20 mM DMSO stock tetracaine, 125 ...


US Patent US9758483 (2017)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q28C9ZCT
More data for this
Ligand-Target Pair
Sodium channel protein type 10 subunit alpha


(Homo sapiens (Human))
BDBM161354
PNG
(US10087143, Compound 139 | US9051270, 139 | US9758...)
Show SMILES FC(F)(F)CCCOc1ccc(OC(F)(F)F)cc1C(=O)Nc1cc[nH]c(=O)c1
Show InChI InChI=1S/C17H14F6N2O4/c18-16(19,20)5-1-7-28-13-3-2-11(29-17(21,22)23)9-12(13)15(27)25-10-4-6-24-14(26)8-10/h2-4,6,8-9H,1,5,7H2,(H2,24,25,26,27)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
US Patent
n/an/a 3.05E+3n/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

US Patent


Assay Description
Sodium channels are voltage-dependent proteins that can be activated by inducing membrane voltage changes by applying electric fields. The electrical...


US Patent US10087143 (2018)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2HD7XP6
More data for this
Ligand-Target Pair