BDBM114953 MLS003120851::SMR001273227::[(2S,6R)-6-[6-[isopropyl(methyl)amino]purin-9-yl]-4-(3-pyridylmethyl)morpholin-2-yl]methanol::[(2S,6R)-6-[6-[methyl(propan-2-yl)amino]-9-purinyl]-4-(3-pyridinylmethyl)-2-morpholinyl]methanol::[(2S,6R)-6-[6-[methyl(propan-2-yl)amino]purin-9-yl]-4-(pyridin-3-ylmethyl)morpholin-2-yl]methanol::cid_49792129

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

InChI Key InChIKey=LUPCVFUBFQBCBE-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 = 114953   

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 114953BDBM114953(US12514858, Example 45)
Affinity DataIC50: 28nMAssay 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