BDBM50557595 CHEMBL4745566::US11485727, Example 1.7

SMILES CC(=O)N1CCN(CC1(C)C)c1ccc(CNc2ccc(OCc3ccc(nc3)C(F)F)nn2)cc1

InChI Key InChIKey=MWBXRFRHHGVRKE-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 50557595   

TargetAtaxin-1(Homo sapiens (Human))
Boehringer Ingelheim International

US Patent
LigandPNGBDBM50557595(CHEMBL4745566 | US11485727, Example 1.7)
Affinity DataIC50:  1.60nMAssay 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))
Smith, Gambrell & Russell

Curated by ChEMBL
LigandPNGBDBM50557595(CHEMBL4745566 | US11485727, Example 1.7)
Affinity DataIC50:  1.60nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed