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SMILES: CNCCN(C)c1ccccc1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1

InChI Key: InChIKey=MPRDYIJNNULDAX-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 368327   
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))
BDBM368327
PNG
(US10227338, Example 114 | US10227338, Example 116)
Show SMILES CNCCN(C)c1ccccc1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C19H21ClFN5O2S2/c1-22-7-9-26(2)17-6-4-3-5-15(17)24-16-12-14(21)18(11-13(16)20)30(27,28)25-19-23-8-10-29-19/h3-6,8,10-12,22,24H,7,9H2,1-2H3,(H,23,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 50n/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))
BDBM368327
PNG
(US10227338, Example 114 | US10227338, Example 116)
Show SMILES CNCCN(C)c1ccccc1Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C19H21ClFN5O2S2/c1-22-7-9-26(2)17-6-4-3-5-15(17)24-16-12-14(21)18(11-13(16)20)30(27,28)25-19-23-8-10-29-19/h3-6,8,10-12,22,24H,7,9H2,1-2H3,(H,23,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 20n/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