BDBM79458 3-[(5E)-5-(3-ethoxybenzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]propionic acid::3-[(5E)-5-[(3-ethoxyphenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid::3-[(5E)-5-[(3-ethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid::3-[(5E)-5-[(3-ethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]propanoic acid::SR-01000261582::SR-01000261582-1::cid_1306590

SMILES O=C(C1CCNCC1)N1CCC2CC1c1cc(-c3ccc(C(F)(F)F)cc3)ccc12

InChI Key InChIKey=BQMRZUNXJBVHDX-UHFFFAOYSA-N

Data  2 EC50

  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 = 79458   

TargetSigma intracellular receptor 2(Human)
University of Texas System

US Patent
LigandChemical structure of BindingDB Monomer ID 79458BDBM79458(US20250387403, Example Table1.35)
Affinity DataKi:  6.80nMAssay Description:Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/6/2026
Entry Details
US Patent