BDBM516890 US11104665, Example 2.5

SMILES CC(=O)N1CCC(CC1)c1ccc(CNc2ccc(OCc3ccccc3)nn2)cc1

InChI Key InChIKey=UNIJAFULTZUTOK-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 516890   

TargetAutotaxin(Human)
Boehringer Ingelheim International

US Patent
LigandPNGBDBM516890(US11104665, Example 2.5)
Affinity DataIC50: 4nMAssay 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:
2/13/2022
Entry Details
US Patent

TargetAutotaxin(Human)
Boehringer Ingelheim International

US Patent
LigandPNGBDBM516890(US11104665, Example 2.5)
Affinity DataIC50: 4nMAssay Description:Inhibition of recombinant human autotaxin assessed as reduction in LPA production using LPC as substrate after 2 hrs by Rapidfire-MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed
TargetAutotaxin(Human)
Boehringer Ingelheim International

US Patent
LigandPNGBDBM516890(US11104665, Example 2.5)
Affinity DataIC50: 264nMAssay Description:Inhibition of ATX in human whole blood assessed as reduction in LPA level after 1 hr by rapidFire based MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed