BDBM516886 US11104665, Example 2.1

SMILES COc1ccc(COc2ccc(NCc3ccc(cc3)N3CCN(CC3)C(C)=O)nn2)cn1

InChI Key InChIKey=GGSULVYXXDWWSL-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 516886   

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

US Patent
LigandPNGBDBM516886(US11104665, Example 2.1)
Affinity DataIC50:  3nMAssay 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
TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 2(Homo sapiens (Human))
Boehringer Ingelheim International

US Patent
LigandPNGBDBM516886(US11104665, Example 2.1)
Affinity DataIC50:  33nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 2(Homo sapiens (Human))
Boehringer Ingelheim International

US Patent
LigandPNGBDBM516886(US11104665, Example 2.1)
Affinity DataIC50:  3nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed