BDBM66772 3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester::4-keto-3-piperonyl-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester::MLS001214265::SMR000543853::cid_1873236::methyl 3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate::methyl 3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate

SMILES COC(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccc3OCOc3c1)c2=O

InChI Key InChIKey=DOPPUDKQAQOHLY-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 1 hit for monomerid = 66772   

TargetBcl-2-related protein A1(Human)
Children''s Hospital Medical Center

US Patent
LigandChemical structure of BindingDB Monomer ID 66772BDBM66772(US12478607, Compound 1.006)
Affinity DataIC50: 4.85E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/6/2026
Entry Details US Patent