BDBM516893 US11104665, ACS Med. Chem. Lett. 2017, 8, 1252-1257 Example 19

SMILES FC(F)(F)c1cc(COC(=O)N2C[C@H]3C(CNC(=O)c4ccc5n[nH]nc5c4)[C@H]3C2)cc(c1)C(F)(F)F

InChI Key InChIKey=ZDOBSAPHUUUOHX-ALOPSCKCSA-N

Data  1 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 1 hit for monomerid = 516893   

TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 2(Homo sapiens (Human))
Boehringer Ingelheim International

US Patent
LigandPNGBDBM516893(US11104665, ACS Med. Chem. Lett. 2017, 8, 1252-125...)
Affinity DataIC50:  2.20nMAssay Description:5 nM recombinant ATX (Cayman Chemicals) was supplemented to 50 mM Tris buffer (pH 8.0) containing 3 mM KCl, 1 mM CaCl2, 1 mM MgCl2 0.14 mM NaCl, and ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent