BDBM79928 2-[(2E)-2-[(4-methylphenyl)methylidene]-3-oxidanylidene-1,4-benzothiazin-4-yl]-N-(oxolan-2-ylmethyl)ethanamide::2-[(2E)-2-[(4-methylphenyl)methylidene]-3-oxo-1,4-benzothiazin-4-yl]-N-(2-oxolanylmethyl)acetamide::2-[(2E)-2-[(4-methylphenyl)methylidene]-3-oxo-1,4-benzothiazin-4-yl]-N-(oxolan-2-ylmethyl)acetamide::2-[(2E)-3-keto-2-(4-methylbenzylidene)-1,4-benzothiazin-4-yl]-N-(tetrahydrofurfuryl)acetamide::MLS000950603::SMR000622276::cid_24789905

SMILES CCS(=O)(=O)Nc1ccc(Oc2cccc(OCCOC3CCN(c4ncc(C(=O)N[C@H]5CC[C@H](Oc6ccc(C#N)c(Cl)c6)CC5)cn4)CC3)c2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1

InChI Key InChIKey=DQFOQICYWYTBRD-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 = 79928   

TargetAndrogen receptor(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 79928BDBM79928(US20250388575, Compound I-5)
Affinity DataKd: <10nMAssay 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