BDBM551865 US11312723, Example 23

SMILES COc1ccc2NCCC(C(=O)n3nc(N)c4CCN(Cc34)S(C)(=O)=O)c2c1

InChI Key InChIKey=JTNXKAHPYMQEFM-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 551865   

TargetCoagulation factor XII(Human)
Rockefeller University

US Patent
LigandChemical structure of BindingDB Monomer ID 551865BDBM551865(US11312723, Example 23)
Affinity DataIC50: 6.00E+4nMAssay 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