BDBM50572923 CHEMBL4851047

SMILES CC(=O)N1CCN(CC1)c1ccc(cc1C)C1(CC1)Nc1ccc(OCc2ccc(nc2)C(F)(F)F)nn1

InChI Key InChIKey=RBJQKBMTYYCMPF-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
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50572923   

TargetAutotaxin(Human)
Boehringer Ingelheim International

US Patent
LigandPNGBDBM50572923(CHEMBL4851047 | US12391667, Example 1.13)
Affinity DataIC50: 3.40nMAssay 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:
11/25/2025
Entry Details
US Patent

TargetAutotaxin(Human)
Boehringer Ingelheim International

US Patent
LigandPNGBDBM50572923(CHEMBL4851047 | US12391667, Example 1.13)
Affinity DataIC50: 3.40nMAssay Description:Inhibition of recombinant human ATX using LPC as substrate incubated for 2 hrs by RapidFire autosampler systemMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2022
Entry Details Article
PubMed