BDBM72159 3-[2-(1-cyclohexen-1-yl)ethyl]-2-thioxo-2,3-dihydro-4(1H)-quinazolinone::3-[2-(1-cyclohexenyl)ethyl]-2-sulfanylidene-1H-quinazolin-4-one::3-[2-(cyclohexen-1-yl)ethyl]-2-sulfanylidene-1H-quinazolin-4-one::3-[2-(cyclohexen-1-yl)ethyl]-2-thioxo-1H-quinazolin-4-one::MLS000574710::SMR000196139::cid_807484

SMILES O=c1n(CCC2=CCCCC2)c(=S)[nH]c2ccccc12

InChI Key InChIKey=JDECVXZEQNKTCE-UHFFFAOYSA-N

Data  1 EC50

  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 = 72159   

TargetXaa-Pro dipeptidase(Human)
Memorial Sloan-Kettering Cancer Center; Memorial Hospital for Cancer and Allied Diseases; Sloan-Kettering Institute for Cancer Research

US Patent
LigandChemical structure of BindingDB Monomer ID 72159BDBM72159(US20250368624, Compound CQ78)
Affinity DataIC50: 1.20E+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

TargetXaa-Pro aminopeptidase 1(Human)
Memorial Sloan-Kettering Cancer Center; Memorial Hospital for Cancer and Allied Diseases; Sloan-Kettering Institute for Cancer Research

US Patent
LigandChemical structure of BindingDB Monomer ID 72159BDBM72159(US20250368624, Compound CQ78)
Affinity DataIC50: 4.10E+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