BDBM114959 (2S)-1-[(4S)-1,1-bis(oxidanylidene)-2-[(1S)-1-phenylethyl]-4-(phenylmethoxymethyl)-3,4-dihydro-5,,2-benzoxathiazepin-7-yl]pyrrolidine-2-carboxamide::(2S)-1-[(4S)-1,1-dioxo-2-[(1S)-1-phenylethyl]-4-(phenylmethoxymethyl)-3,4-dihydro-5,,2-benzoxathiazepin-7-yl]-2-pyrrolidinecarboxamide::(2S)-1-[(4S)-1,1-dioxo-2-[(1S)-1-phenylethyl]-4-(phenylmethoxymethyl)-3,4-dihydro-5,,2-benzoxathiazepin-7-yl]pyrrolidine-2-carboxamide::(2S)-1-[(4S)-4-(benzoxymethyl)-1,1-diketo-2-[(1S)-1-phenylethyl]-3,4-dihydro-5,,2-benzoxathiazepin-7-yl]pyrrolidine-2-carboxamide::MLS003591849::SMR002253145::cid_53301614

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

InChI Key InChIKey=VPLGRZIDUCEKGH-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 114959   

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 114959BDBM114959(US12514858, Example 51)
Affinity DataIC50: 17nMAssay 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