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SMILES: CNCCN(C)c1cc(ccc1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1)C(F)(F)F

InChI Key: InChIKey=DCWUXXOCLXFRRQ-UHFFFAOYSA-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 = 368308   
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 5 subunit alpha


(Homo sapiens (Human))
BDBM368308
PNG
(US10227338, Example 95)
Show SMILES CNCCN(C)c1cc(ccc1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1)C(F)(F)F
Show InChI InChI=1S/C20H20ClF4N5O2S2/c1-26-5-6-30(2)17-7-12(20(23,24)25)3-4-15(17)28-16-9-14(22)18(8-13(16)21)34(31,32)29-19-10-33-11-27-19/h3-4,7-11,26,28-29H,5-6H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 8.20E+3n/an/an/an/an/an/a



AstraZeneca



Assay Description
In order to measure the sodium ion channel blocking effect, an IonFlux16 Auto patch clamp system (Fluxion, Inc.) and a plate for exclusive use were u...


J Med Chem 51: 1755-1763 (2008)


BindingDB Entry DOI: 10.7270/Q2F47RFM
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM368308
PNG
(US10227338, Example 95)
Show SMILES CNCCN(C)c1cc(ccc1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1)C(F)(F)F
Show InChI InChI=1S/C20H20ClF4N5O2S2/c1-26-5-6-30(2)17-7-12(20(23,24)25)3-4-15(17)28-16-9-14(22)18(8-13(16)21)34(31,32)29-19-10-33-11-27-19/h3-4,7-11,26,28-29H,5-6H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 30n/an/an/an/an/an/a



AstraZeneca



Assay Description
In order to measure the sodium ion channel blocking effect, an IonFlux16 Auto patch clamp system (Fluxion, Inc.) and a plate for exclusive use were u...


J Med Chem 51: 1755-1763 (2008)


BindingDB Entry DOI: 10.7270/Q2F47RFM
More data for this
Ligand-Target Pair