BDBM77557 (2-oxidanylidene-2-thiophen-2-yl-ethyl) 5-nitrofuran-2-carboxylate::(2-oxo-2-thiophen-2-ylethyl) 5-nitrofuran-2-carboxylate::5-nitro-2-furancarboxylic acid (2-oxo-2-thiophen-2-ylethyl) ester::5-nitrofuran-2-carboxylic acid [2-keto-2-(2-thienyl)ethyl] ester::MLS001006781::SMR000349698::cid_2345741

SMILES C[C@]12CCC(CCC3CNC3)CC1[C@@H](CO)[C@@H](O)C1C2CC[C@]2(C)C(=O)CCC12

InChI Key InChIKey=IQQSGGUFESWJGB-UHFFFAOYSA-N

Data  1 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 = 77557   

TargetSodium/potassium-transporting ATPase subunit alpha-1(Dog)
Vanderbilt Screening Center For Gpcrs, Ion Channels and Transporters

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 77557BDBM77557((6S,7S,10R,13S)-3-(2-(azetidin-3-yl)ethyl)-7-hydro...)
Affinity DataIC50: 3.30E+3nMAssay 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:
5/4/2026
Entry Details
US Patent