BDBM77530 4-[(2E)-2-(3-allyl-2-hydroxybenzylidene)hydrazino]-N-(4-fluorophenyl)-4-oxobutanamide::4-[N'-[(E)-(5-allyl-6-keto-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazino]-N-(4-fluorophenyl)-4-keto-butyramide::MLS000585430::N-(4-fluorophenyl)-4-oxidanylidene-4-[2-[(E)-(6-oxidanylidene-5-prop-2-enyl-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]butanamide::N-(4-fluorophenyl)-4-oxo-4-[2-[(E)-(6-oxo-5-prop-2-enylcyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]butanamide::N-(4-fluorophenyl)-4-oxo-4-[[(E)-(6-oxo-5-prop-2-enyl-1-cyclohexa-2,4-dienylidene)methyl]hydrazo]butanamide::SMR000207412::cid_6524819

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=JVRRHYBNELEXSM-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 = 77530   

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 77530BDBM77530((Z)-4-(6beta-hydroxy-17-oxoandrostane-3-yliden)but...)
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