BDBM77544 MLS000714091::N'-[(E)-(5-ethoxy-6-keto-cyclohexa-2,4-dien-1-ylidene)methyl]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbohydrazide::N'-[(E)-(5-ethoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbohydrazide::N'-[(E)-(5-ethoxy-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-3-(1-methyl-2-pyrrolyl)-1H-pyrazole-5-carbohydrazide::N'-[(E)-(5-ethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbohydrazide::SMR000273571::cid_5445400

SMILES C[C@]12CCC(CCCC(=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=MCGWOUISYSTMOT-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 77544   

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 77544BDBM77544(4-(6beta-hydroxy-17-oxoandrostane-3-yl)butyric aci...)
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