BDBM72252 8-(6-ethoxy-3-tosyl-4-quinolyl)-1,4-dioxa-8-azaspiro[4.5]decane::8-[6-ethoxy-3-(4-methylphenyl)sulfonyl-4-quinolinyl]-1,4-dioxa-8-azaspiro[4.5]decane::8-[6-ethoxy-3-(4-methylphenyl)sulfonyl-quinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane::8-[6-ethoxy-3-(4-methylphenyl)sulfonylquinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane::MLS000722172::SMR000236813::cid_5640523

SMILES CCc1c[nH]c2ncc(-c3cccc(N4CCCN(CCN5CC(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7)C5)C4=O)c3)c(Cl)c12

InChI Key InChIKey=QDCSZEPGRRVZLO-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 = 72252   

LigandChemical structure of BindingDB Monomer ID 72252BDBM72252(3-[6-(1-{2-[3-(3-{4-chloro-3-ethyl-1H-pyrrolo [2, ...)
Affinity DataIC50: 0.760nMAssay 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 72252BDBM72252(3-[6-(1-{2-[3-(3-{4-chloro-3-ethyl-1H-pyrrolo [2, ...)
Affinity DataIC50: 4nMAssay 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 72252BDBM72252(3-[6-(1-{2-[3-(3-{4-chloro-3-ethyl-1H-pyrrolo [2, ...)
Affinity DataIC50: 14.3nMAssay 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