BDBM79868 2-[(E)-2-(2-chloranyl-6-fluoranyl-phenyl)ethenyl]-1H-quinolin-4-one::2-[(E)-2-(2-chloro-6-fluoro-phenyl)vinyl]-4-quinolone::2-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-1H-quinolin-4-one::2-[2-(2-chloro-6-fluorophenyl)vinyl]-4-quinolinol::MLS000862522::SMR000300579::cid_5740575

SMILES COc1cccc2[nH]c(C(O)C(=O)Nc3c(C)[nH]c(/C=C4\C(=O)Nc5ccc(C(=O)N[C@H](C)c6ccc(F)cc6)cc54)c3C)cc12

InChI Key InChIKey=IOCDUGJOPNOXSY-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 79868   

TargetG protein-coupled receptor kinase 5(Human)
Vanderbilt Screening Center For Gpcrs, Ion Channels and Transporters

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 79868BDBM79868(US20250388567, Compound 4)
Affinity DataIC50: 550nMAssay 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

TargetBeta-adrenergic receptor kinase 1(Bovine)
Vanderbilt Screening Center For Gpcrs, Ion Channels and Transporters

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 79868BDBM79868(US20250388567, Compound 4)
Affinity DataIC50: 1.00E+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:
5/6/2026
Entry Details
US Patent