BDBM72831 (2-ethoxy-4-morpholin-4-ylcarbothioyl-phenyl) 4-methylbenzenesulfonate::4-methylbenzenesulfonic acid [2-ethoxy-4-(morpholine-4-carbothioyl)phenyl] ester::4-methylbenzenesulfonic acid [2-ethoxy-4-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester::MLS001204541::SMR000514950::Toluene-4-sulfonic acid 2-ethoxy-4-(morpholine-4-carbothioyl)-phenyl ester::[2-ethoxy-4-(morpholine-4-carbothioyl)phenyl] 4-methylbenzenesulfonate::cid_2267426

SMILES CCOc1cc(ccc1OS(=O)(=O)c1ccc(C)cc1)C(=S)N1CCOCC1

InChI Key InChIKey=XHIXFDTXAVGCSA-UHFFFAOYSA-N

Data  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 72831   

TargetHistamine H4 receptor(Human)
Faes Farma

US Patent
LigandChemical structure of BindingDB Monomer ID 72831BDBM72831(US12492199, Example 3)
Affinity DataKi:  0.75nMAssay 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:
4/20/2026
Entry Details PCBioAssay
TargetHistamine H4 receptor(Human)
Faes Farma

US Patent
LigandChemical structure of BindingDB Monomer ID 72831BDBM72831(US12492199, Example 3)
Affinity DataIC50: 1.74nMAssay 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:
4/20/2026
Entry Details PCBioAssay
TargetHistamine H4 receptor(Human)
Faes Farma

US Patent
LigandChemical structure of BindingDB Monomer ID 72831BDBM72831(US12492199, Example 3)
Affinity DataIC50: 100nMAssay 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:
4/20/2026
Entry Details PCBioAssay
TargetHistamine H1 receptor(Human)
Faes Farma

US Patent
LigandChemical structure of BindingDB Monomer ID 72831BDBM72831(US12492199, Example 3)
Affinity DataIC50: 1.00E+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:
4/20/2026
Entry Details PCBioAssay