BDBM442740 US10647719, Example 4.00

SMILES Cc1nnn(n1)Cc2cc(ccc2CCC(=O)N3CC4=C(C3)CN(C4)C(=O)c5c(cc(cn5)S(=O)(=O)N)F)C(F)(F)F

InChI Key InChIKey=KZWCVIBEUNXBPZ-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 442740   

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM442740(US10647719, Example 4.00)
Affinity DataIC50: 3.80nMAssay 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
LigandPNGBDBM442740(US10647719, Example 4.00)
Affinity DataIC50: 10nMAssay 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