BDBM579837 US11485727, Example 2.8

SMILES FC(F)(F)c1ccc(COc2ccc(NCc3ccc(cc3)N3CCN(CC3)C3COC3)nn2)cn1

InChI Key InChIKey=NPWXNNJYELLGIY-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 579837   

TargetAutotaxin/Lysophosphatidic acid receptor 2(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 579837BDBM579837(US11485727, Example 2.8 | US20260001863, Example 2...)
Affinity DataIC50: 2nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/13/2026
Entry Details
US Patent

TargetAutotaxin(Human)
Boehringer Ingelheim International

US Patent
LigandChemical structure of BindingDB Monomer ID 579837BDBM579837(US11485727, Example 2.8 | US20260001863, Example 2...)
Affinity DataIC50: 2nMAssay 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
In Depth
Date in BDB:
1/6/2023
Entry Details
US Patent