BDBM72900 2-[2-(3,5-dichloroanilino)-2-keto-1-phenyl-ethoxy]benzoic acid::2-[2-(3,5-dichloroanilino)-2-oxo-1-phenylethoxy]benzoic acid::2-[2-[[3,5-bis(chloranyl)phenyl]amino]-2-oxidanylidene-1-phenyl-ethoxy]benzoic acid::MLS001171619::SMR000590524::cid_4850131

SMILES COc1cc(C(=O)N2C[C@H](N)C[C@@H](F)C2)cc2nc3n(c12)Cc1cnn(c1)CCCCCCn1c-3cc2ccccc21

InChI Key InChIKey=QYBLXDWRODFHJI-UHFFFAOYSA-N

Data  1 EC50

  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 = 72900   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 72900BDBM72900(((3R,5R)-3-amino-5- fluoropiperidin-1-yl)((E)-27- ...)
Affinity DataIC50: 66nMAssay 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