BDBM551848 US11312723, Example 6

SMILES CCc1cc2c([nH]1)CCCC2C(=O)n1nc2c(c1N)CNCC2

InChI Key InChIKey=WTXHTBCOHNKKPX-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 = 551848   

TargetCoagulation factor XII(Human)
Rockefeller University

US Patent
LigandChemical structure of BindingDB Monomer ID 551848BDBM551848(US11312723, Example 6)
Affinity DataIC50: 250nMAssay Description:In a 96-well clear bottom plate, 80 μl of assay buffer was added to each well. Assay buffer consists of 0.5× Hank's Balanced Salt Solution (...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/6/2022
Entry Details
US Patent

TargetProthrombin(Human)
Rockefeller University

US Patent
LigandChemical structure of BindingDB Monomer ID 551848BDBM551848(US11312723, Example 6)
Affinity DataIC50: 5.00E+4nMAssay Description:Thrombin. In a 96-well white opaque plate, 80 μl of assay buffer was added to each well. Test compounds were added, and serially diluted as abov...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/6/2022
Entry Details
US Patent