BDBM77550 (2E)-1-ethyl-6-methyl-2-[(1-prop-2-enyl-2-quinolin-1-iumyl)methylidene]quinoline;bromide::(2E)-1-ethyl-6-methyl-2-[(1-prop-2-enylquinolin-1-ium-2-yl)methylidene]quinoline;bromide::(2E)-2-[(1-allylquinolin-1-ium-2-yl)methylene]-1-ethyl-6-methyl-quinoline;bromide::2-[(E)-(1-allylquinolin-2(1H)-ylidene)methyl]-1-ethyl-6-methylquinolinium::MLS000727846::SMR000306543::cid_16193032

SMILES CNCCCC/C=C1\CC[C@]2(C)C3CC[C@]4(C)C(=O)CCC4C3C(=O)[C@H](CO)C2C1

InChI Key InChIKey=SLIMSUOIUABFIO-UHFFFAOYSA-N

Data  2 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 = 77550   

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 77550BDBM77550((6S,10R,13S,E)-6-(hydroxymethyl)-10,13-dimethyl-3-...)
Affinity DataIC50: 2.40E+4nMAssay 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