BDBM72255 6,7-dimethoxy-2-[4-nitro-3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline::MLS000333999::SMR000248757::cid_3499691

SMILES COc1cc2CCN(Cc2cc1OC)c1ccc(c(c1)C(F)(F)F)[N+]([O-])=O

InChI Key InChIKey=FEZBUXNLIHPXSP-UHFFFAOYSA-N

Data  1 EC50

  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 3 hits for monomerid = 72255   

LigandChemical structure of BindingDB Monomer ID 72255BDBM72255(1-(6-(4-(2-(3-(3-(4-chloro-3-ethyl-1H-pyrrolo [2, ...)
Affinity DataIC50: 17.1nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/15/2026
Entry Details PCBioAssay
LigandChemical structure of BindingDB Monomer ID 72255BDBM72255(1-(6-(4-(2-(3-(3-(4-chloro-3-ethyl-1H-pyrrolo [2, ...)
Affinity DataIC50: 24nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/15/2026
Entry Details PCBioAssay
TargetAurora kinase A(Human)
BioFront

US Patent
LigandChemical structure of BindingDB Monomer ID 72255BDBM72255(1-(6-(4-(2-(3-(3-(4-chloro-3-ethyl-1H-pyrrolo [2, ...)
Affinity DataIC50: 25.2nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/15/2026
Entry Details PCBioAssay