BDBM809331 US12643890, Example 11

SMILES Clc1ccc2c(c1)CC(Nc1ncc(-c3cccnn3)cn1)C2

InChI Key InChIKey=RMXLKWPOEWFZDY-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 809331   

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandChemical structure of BindingDB Monomer ID 809331BDBM809331(US12643890, Example 11)
Affinity DataIC50: 251nMAssay Description:ATX is diluted to 2.2 nM in assay buffer. Choline oxidase and horseradish peroxidase are diluted to 7.3 U/ml and 14.7 U/ml, respectively. 18:1 LPC an...More data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
10/19/2026
Entry Details
US Patent