BDBM426578 N,N′-(13,20 dioxo-3, 6, 9, 24, 27, 30-hexaoxa-12, 21-diazadotricontane-1,32-diyl)bis[(E)-N-(diaminomethylene)-3-(3,5-difluoro-4-(4-sulfamoylphenoxy)phenyl)-2-methylacrylamide]::US10543207, Example 47

SMILES [#6]\[#6](=[#6]/c1cc(F)c(-[#8]-c2ccc(cc2)S(=O)(=O)[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#7]S(=O)(=O)c2ccc(-[#8]-c3c(F)cc(\[#6]=[#6](/[#6])-[#6](=O)\[#7]=[#6](\[#7])-[#7])cc3F)cc2)c(F)c1)-[#6](=O)\[#7]=[#6](\[#7])-[#7]

InChI Key InChIKey=QIWXKGOMFUUIAM-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 426578   

TargetSodium/hydrogen exchanger 3(Rat)
Ardelyx

US Patent
LigandPNGBDBM426578(N,N′-(13,20 dioxo-3, 6, 9, 24, 27, 30-hexaox...)
Affinity DataIC50: 100nMAssay Description:Rat NHE-3-mediated Na+-dependent H+ antiport was measured using a modification of the pH sensitive dye method originally reported by Tsien (Proc. Nat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/1/2020
Entry Details
US Patent