BDBM446578 CHEM-US-00091::US10669285, Example 28

SMILES Fc1ccc(COC(=O)N2CCc3cc(nn3CC2)C(=O)N2CCc3[nH]nnc3C2)cc1

InChI Key InChIKey=MXSFTQSOVZLBEH-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 = 446578   

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM446578(CHEM-US-00091 | US10669285, Example 28)
Affinity DataIC50: 76nMAssay Description:ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details
Go to US Patent