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BDBM231255 US9346798, 2

SMILES: FC(F)(F)c1ccc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2ncns2)c(Cl)c1

InChI Key: InChIKey=QNGMWIGUDUIKOI-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 231255   
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))
BDBM231255
PNG
(US9346798, 2)
Show SMILES FC(F)(F)c1ccc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2ncns2)c(Cl)c1
Show InChI InChI=1S/C17H12ClF3N4O3S2/c18-12-7-10(17(19,20)21)1-3-13(12)25-5-6-28-15-8-11(2-4-14(15)25)30(26,27)24-16-22-9-23-29-16/h1-4,7-9H,5-6H2,(H,22,23,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 7.83n/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))
BDBM231255
PNG
(US9346798, 2)
Show SMILES FC(F)(F)c1ccc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2ncns2)c(Cl)c1
Show InChI InChI=1S/C17H12ClF3N4O3S2/c18-12-7-10(17(19,20)21)1-3-13(12)25-5-6-28-15-8-11(2-4-14(15)25)30(26,27)24-16-22-9-23-29-16/h1-4,7-9H,5-6H2,(H,22,23,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 38.6n/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 5 subunit alpha


(Homo sapiens (Human))
BDBM231255
PNG
(US9346798, 2)
Show SMILES FC(F)(F)c1ccc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2ncns2)c(Cl)c1
Show InChI InChI=1S/C17H12ClF3N4O3S2/c18-12-7-10(17(19,20)21)1-3-13(12)25-5-6-28-15-8-11(2-4-14(15)25)30(26,27)24-16-22-9-23-29-16/h1-4,7-9H,5-6H2,(H,22,23,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Nav1.5 (unknown origin) expressed in HEK293 cells by IonWorks patch-clamp method


Bioorg Med Chem Lett 24: 3690-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.038
BindingDB Entry DOI: 10.7270/Q2KS6VJM
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM231255
PNG
(US9346798, 2)
Show SMILES FC(F)(F)c1ccc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2ncns2)c(Cl)c1
Show InChI InChI=1S/C17H12ClF3N4O3S2/c18-12-7-10(17(19,20)21)1-3-13(12)25-5-6-28-15-8-11(2-4-14(15)25)30(26,27)24-16-22-9-23-29-16/h1-4,7-9H,5-6H2,(H,22,23,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 39n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 (unknown origin) expressed in HEK293 cells by PatchXpress method


Bioorg Med Chem Lett 24: 3690-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.038
BindingDB Entry DOI: 10.7270/Q2KS6VJM
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM231255
PNG
(US9346798, 2)
Show SMILES FC(F)(F)c1ccc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2ncns2)c(Cl)c1
Show InChI InChI=1S/C17H12ClF3N4O3S2/c18-12-7-10(17(19,20)21)1-3-13(12)25-5-6-28-15-8-11(2-4-14(15)25)30(26,27)24-16-22-9-23-29-16/h1-4,7-9H,5-6H2,(H,22,23,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/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