BDBM442719 US10647719, Example 2.01::[4-(trifluoromethoxy)phenyl]methyl

SMILES NS(=O)(=O)c1ccc(C(=O)N2CCC3=C(CCN(C3)C(=O)OCc3ccc(OC(F)(F)F)cc3)C2)c(F)c1

InChI Key InChIKey=QZEJPCSNGFLHEW-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 442719   

TargetCarbonic anhydrase 2(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM442719(US10647719, Example 2.01 | [4-(trifluoromethoxy)ph...)
Affinity DataIC50: 1nMAssay Description:ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/25/2021
Entry Details
US Patent

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM442719(US10647719, Example 2.01 | [4-(trifluoromethoxy)ph...)
Affinity DataIC50: 24nMAssay Description:Human carbonic anhydrase II (hCA-II) inhibition was measured by an absorbance method using 4-nitrophenyl acetate (4-NPA) as its substrate. 4-NPA can ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/25/2021
Entry Details
US Patent