BDBM77591 1-ethyl-6-fluoro-7-[4-(2-furoyl)piperazino]-4-keto-N-sec-butyl-quinoline-3-carboxamide::MLS001075291::N-butan-2-yl-1-ethyl-6-fluoranyl-7-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxamide::N-butan-2-yl-1-ethyl-6-fluoro-7-[4-(furan-2-carbonyl)piperazin-1-yl]-4-oxoquinoline-3-carboxamide::N-butan-2-yl-1-ethyl-6-fluoro-7-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-4-oxo-3-quinolinecarboxamide::SMR000646379::cid_3772903

SMILES O=C(C1CCN(CCO)CC1)N1CCC2C[C@H]1c1cc(-c3ccc(C(F)(F)F)cc3)ccc12

InChI Key InChIKey=GBUZYMOWHHJSEM-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 77591   

TargetSigma intracellular receptor 2(Human)
University of Texas System

US Patent
LigandChemical structure of BindingDB Monomer ID 77591BDBM77591(US20250387403, Example Table1.7)
Affinity DataKi:  13.6nMAssay 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:
5/6/2026
Entry Details
US Patent