BDBM77553 3-({[(2E)-2-(pyridin-2-ylmethylene)hydrazino]carbonothioyl}amino)benzoic acid::3-[(2-pyridylmethyleneamino)thiocarbamoylamino]benzoic acid::3-[(pyridin-2-ylmethylideneamino)carbamothioylamino]benzoic acid::3-[[[2-(2-pyridinylmethylidene)hydrazinyl]-sulfanylidenemethyl]amino]benzoic acid::MLS000681711::SMR000312755::cid_722425

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

InChI Key InChIKey=HMHKILCAAYJLPV-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 = 77553   

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 77553BDBM77553((6S,10R,13S)-6-(hydroxymethyl)-10,13-dimethyl-3-(2...)
Affinity DataIC50: 7.90E+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