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BDBM231398 US9346798, 145

SMILES: COc1ncc(cc1N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F

InChI Key: InChIKey=OWRSUSYZFMGANM-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 = 231398   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM231398
PNG
(US9346798, 145)
Show SMILES COc1ncc(cc1N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F
Show InChI InChI=1S/C18H15F3N4O4S2/c1-28-16-14(8-11(10-23-16)18(19,20)21)25-5-6-29-15-9-12(2-3-13(15)25)31(26,27)24-17-22-4-7-30-17/h2-4,7-10H,5-6H2,1H3,(H,22,24)
PDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 7.38E+3n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
HEK 293 cells stably transfected with either Nav 1.7 or with Nav 1.5 were recorded in population patch-clamp mode with the IonWorks® Quattro auto...


US Patent US9346798 (2016)


BindingDB Entry DOI: 10.7270/Q24X56N2
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM231398
PNG
(US9346798, 145)
Show SMILES COc1ncc(cc1N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F
Show InChI InChI=1S/C18H15F3N4O4S2/c1-28-16-14(8-11(10-23-16)18(19,20)21)25-5-6-29-15-9-12(2-3-13(15)25)31(26,27)24-17-22-4-7-30-17/h2-4,7-10H,5-6H2,1H3,(H,22,24)
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.18E+4n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
HEK 293 cells stably transfected with human Nav1.7 were recorded in whole cell voltage clamp mode with the PatchXpress automated electrophysiology sy...


US Patent US9346798 (2016)


BindingDB Entry DOI: 10.7270/Q24X56N2
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM231398
PNG
(US9346798, 145)
Show SMILES COc1ncc(cc1N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F
Show InChI InChI=1S/C18H15F3N4O4S2/c1-28-16-14(8-11(10-23-16)18(19,20)21)25-5-6-29-15-9-12(2-3-13(15)25)31(26,27)24-17-22-4-7-30-17/h2-4,7-10H,5-6H2,1H3,(H,22,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 235n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
HEK 293 cells stably transfected with either Nav 1.7 or with Nav 1.5 were recorded in population patch-clamp mode with the IonWorks® Quattro auto...


US Patent US9346798 (2016)


BindingDB Entry DOI: 10.7270/Q24X56N2
More data for this
Ligand-Target Pair