BDBM77551 MLS000731626::N-(2-furanylmethyl)-2-[(2-nitro-3-thiophenyl)thio]propanamide::N-(2-furfuryl)-2-[(2-nitro-3-thienyl)thio]propionamide::N-(2-furylmethyl)-2-[(2-nitrothien-3-yl)thio]propanamide::N-(furan-2-ylmethyl)-2-(2-nitrothiophen-3-yl)sulfanyl-propanamide::N-(furan-2-ylmethyl)-2-(2-nitrothiophen-3-yl)sulfanylpropanamide::SMR000309901::cid_16193998

SMILES C[C@]12CCC(=CCC3CCNC3)CC1[C@@H](CO)C(=O)C1C2CC[C@]2(C)C(=O)CCC12

InChI Key InChIKey=RAIWVGOTJZKQLB-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 = 77551   

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 77551BDBM77551((6S,10R,13S)-6-(hydroxymethyl)-10,13-dimethyl-3-(2...)
Affinity DataIC50: 4.60E+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