BDBM77562 1,11,22-trihydroxy-1,6,11,16,22,27-hexazacyclodotriacontane-2,5,12,15,23,26-hexone::1,11,22-trihydroxy-1,6,11,16,22,27-hexazacyclodotriacontane-2,5,12,15,23,26-triquinone::1,11,22-tris(oxidanyl)-1,6,11,16,22,27-hexazacyclodotriacontane-2,5,12,15,23,26-hexone::MLS000863563::SMR000440712::cid_14671620

SMILES C[C@]12CCC(CCC3CCNCC3)CC1[C@@H](CO)[C@@H](O)C1C2CC[C@]2(C)C(=O)CCC12

InChI Key InChIKey=SXTGVXKFOVZYIK-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 77562   

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 77562BDBM77562((6S,7S,10R,13S)-7-hydroxy-6-(hydroxymethyl)-10,13-...)
Affinity DataIC50: 3.00E+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