BDBM50557596 CHEMBL4743845::US11485727, Example 2.4::US20260001863, Example 2.4

SMILES CC(=O)N1CCN(CC1)c1ccc(CNc2ccc(OCc3ccc(nc3)C(F)F)nn2)nc1

InChI Key InChIKey=UVOAYWPJOUNGLV-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 50557596   

TargetAutotaxin(Human)
Smith, Gambrell & Russell

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50557596BDBM50557596(CHEMBL4743845 | US11485727, Example 2.4 | US202600...)
Affinity DataIC50: 1.90nMAssay Description:Inhibition of recombinant human C-terminal His6-tagged ATX expressed in baculovirus infected Sf21 insect cells using LPC as substrate incubated for 2...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed
TargetAutotaxin(Human)
Smith, Gambrell & Russell

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50557596BDBM50557596(CHEMBL4743845 | US11485727, Example 2.4 | US202600...)
Affinity DataIC50: 1.90nMAssay 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

TargetAutotaxin/Lysophosphatidic acid receptor 2(Human)
Boehringer Ingelheim International

US Patent
LigandChemical structure of BindingDB Monomer ID 50557596BDBM50557596(CHEMBL4743845 | US11485727, Example 2.4 | US202600...)
Affinity DataIC50: 1.90nMAssay 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