BDBM442720 BDBM442723::US10647719, Example 2.02::[4-(trifluoromethoxy)phenyl]methyl

SMILES NS(=O)(=O)c1ccc(nc1)C(=O)N1CC2=C(CN(C2)C(=O)OCc2ccc(OC(F)(F)F)cc2)C1

InChI Key InChIKey=OQPVHCISWVIMLV-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 442720   

TargetCarbonic anhydrase 2(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM442720([4-(trifluoromethoxy)phenyl]methyl | US10647719, E...)
Affinity DataIC50: 5nMAssay 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
LigandPNGBDBM442720([4-(trifluoromethoxy)phenyl]methyl | US10647719, E...)
Affinity DataIC50: 12nMAssay 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

TargetCarbonic anhydrase 2(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM442720([4-(trifluoromethoxy)phenyl]methyl | US10647719, E...)
Affinity DataIC50: 14nMAssay 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
LigandPNGBDBM442720([4-(trifluoromethoxy)phenyl]methyl | US10647719, E...)
Affinity DataIC50: 18nMAssay 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