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

SMILES CCc1c[nH]c2ncc(-c3cccc(N4CCCN(CCN5CCN(c6ccc7c(N8CCC(=O)NC8=O)cccc7c6)CC5)C4=O)c3)c(Cl)c12

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
US Patent

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
US Patent

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
US Patent