BDBM72926 2-amino-4-(cyanomethyl)-6-[4-(2-fluorophenyl)sulfonyl-1-piperazinyl]pyridine-3,5-dicarbonitrile::2-amino-4-(cyanomethyl)-6-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]pyridine-3,5-dicarbonitrile::2-amino-4-(cyanomethyl)-6-[4-(2-fluorophenyl)sulfonylpiperazino]dinicotinonitrile::2-azanyl-4-(cyanomethyl)-6-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]pyridine-3,5-dicarbonitrile::MLS001173140::SMR000590667::cid_4844800

SMILES COc8cc(C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N)cc9nc7c4cc3cccnc3n4CCCCc5ccccc5N6C[C@@H](CC6=O)Cn7c89

InChI Key InChIKey=KIVZFEROQCIJPK-UHFFFAOYSA-N

Data  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 72926   

TargetProtein-arginine deiminase type-4(Human)
Bristol-Myers Squibb

US Patent
LigandChemical structure of BindingDB Monomer ID 72926BDBM72926(25-((1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptane-...)
Affinity DataIC50: 78nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/20/2026
Entry Details
US Patent