BDBM96828 (3E)-3-[1-[2-(4-hydroxyphenyl)ethylamino]ethylidene]-2-oxolanone::(3E)-3-[1-[2-(4-hydroxyphenyl)ethylamino]ethylidene]oxolan-2-one::(3E)-3-[1-[2-(4-hydroxyphenyl)ethylamino]ethylidene]tetrahydrofuran-2-one::MLS003107204::SMR001822079::cid_6392533

SMILES O=C(Nc1nnc(OCc2ccc(Cl)cc2)s1)c1cnccc1-c1ccccc1OC1CC1

InChI Key InChIKey=MLYKRUNCKXRHPH-UHFFFAOYSA-N

Data  2 IC50  2 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 1 hit for monomerid = 96828   

TargetDNA polymerase theta [1-899](Human)
Ideaya Biosciences

US Patent
LigandChemical structure of BindingDB Monomer ID 96828BDBM96828(N-(5-((4-chlorobenzyl)oxy)-1,3,4-thiadiazol- 2-yl)...)
Affinity DataIC50: 200nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/11/2026
Entry Details
US Patent