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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 451.9
BDBM50190490

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Amiloride-sensitive sodium channel subunit alpha


(Homo sapiens (Human))
BDBM50190490
PNG
(CHEMBL212534 | N-(3,5-diamino-6-chloropyrazine-2-c...)
Show SMILES NC(NC(=O)c1nc(Cl)c(N)nc1N)=NCCCCc1cccc(OCC(O)CO)c1 |w:14.15|
Show InChI InChI=1S/C19H26ClN7O4/c20-15-17(22)26-16(21)14(25-15)18(30)27-19(23)24-7-2-1-4-11-5-3-6-13(8-11)31-10-12(29)9-28/h3,5-6,8,12,28-29H,1-2,4,7,9-10H2,(H4,21,22,26)(H3,23,24,27,30)
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Article
PubMed
n/an/a 26n/an/an/an/an/an/a



Parion Sciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of dog bronchi prototypical epithelial sodium channel by electrophysiological assay


J Med Chem 49: 4098-115 (2006)


Article DOI: 10.1021/jm051134w
BindingDB Entry DOI: 10.7270/Q2FT8KNH
More data for this
Ligand-Target Pair