BDBM77541 6,7,8-trifluoro-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid::6,7,8-trifluoro-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-4-oxoquinoline-3-carboxylic acid::6,7,8-trifluoro-1-(3-fluoro-4-pyrrolidino-phenyl)-4-keto-quinoline-3-carboxylic acid::6,7,8-trifluoro-1-[3-fluoro-4-(1-pyrrolidinyl)phenyl]-4-oxo-3-quinolinecarboxylic acid::6,7,8-tris(fluoranyl)-1-(3-fluoranyl-4-pyrrolidin-1-yl-phenyl)-4-oxidanylidene-quinoline-3-carboxylic acid::MLS000674539::SMR000313741::cid_1511904

SMILES CCOC(=O)C[C@H]1CC[C@@]2(C)C(C1)[C@@H](O)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12

InChI Key InChIKey=HXOKIQCTQSFSFF-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 = 77541   

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 77541BDBM77541(Ethyl (6alpha-hydroxy-17-ketoandrostane-3beta-yl)a...)
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