BDBM77561 1-ethyl-6-fluoranyl-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-N-(2-phenylethyl)quinoline-3-carboxamide::1-ethyl-6-fluoro-4-keto-7-(4-methylpiperazino)-N-phenethyl-quinoline-3-carboxamide::1-ethyl-6-fluoro-7-(4-methyl-1-piperazinyl)-4-oxo-N-(2-phenylethyl)-3-quinolinecarboxamide::1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-N-(2-phenylethyl)quinoline-3-carboxamide::MLS000889842::SMR000039242::cid_658325

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

InChI Key InChIKey=VZHSXXUPQZBDOT-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 = 77561   

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 77561BDBM77561((6S,10R,13S)-6-(hydroxymethyl)-10,13-dimethyl-3-(2...)
Affinity DataIC50: 1.90E+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