BDBM114942 MLS002693749::SMR001559691::cid_96396::cyclopropyl-(2,4-dimethylphenyl)methanone

SMILES COCCO[C@H]1CC[C@H](NC(=O)c2cc(C(F)(F)F)nc(-n3ccnc3)n2)CC1

InChI Key InChIKey=CENWGMGAFRZWTJ-UHFFFAOYSA-N

Data  2 IC50

  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 = 114942   

TargetADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 114942BDBM114942(US12514858, Example 36)
Affinity DataIC50: 39nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/18/2026
Entry Details
US Patent