BDBM77527 (4E)-3-hydroxy-4-[[2-[(2Z)-6-methyl-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-4-yl]hydrazinyl]methylidene]cyclohexa-2,5-dien-1-one::(4E)-3-hydroxy-4-[[N'-[(2Z)-2-(6-ketocyclohexa-2,4-dien-1-ylidene)-6-methyl-1H-pyrimidin-4-yl]hydrazino]methylene]cyclohexa-2,5-dien-1-one::(4E)-3-hydroxy-4-[[[(2Z)-6-methyl-2-(6-oxo-1-cyclohexa-2,4-dienylidene)-1H-pyrimidin-4-yl]hydrazo]methylidene]-1-cyclohexa-2,5-dienone::(4E)-4-[[2-[(2Z)-6-methyl-2-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-4-yl]hydrazinyl]methylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one::4-{[2-(2-Hydroxy-phenyl)-6-methyl-pyrimidin-4-yl]-hydrazonomethyl}-benzene-1,3-diol::MLS000547686::SMR000171195::cid_5749545

SMILES C[C@]12CC/C(=C/CCC(=O)O)CC1[C@@H](O)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12

InChI Key InChIKey=IGFZUQFZOZPTTK-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 = 77527   

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 77527BDBM77527((Z)-4-(6alpha-hydroxy-17-oxoandrostane-3-yliden)bu...)
Affinity DataIC50: 1.00E+5nMAssay 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