BDBM72628 2-[(4-cyanoanilino)methylene]malonic acid diethyl ester::2-[(4-cyanoanilino)methylidene]propanedioic acid diethyl ester::MLS000772031::SMR000376602::cid_1989756::diethyl 2-[(4-cyanoanilino)methylidene]propanedioate::diethyl 2-[[(4-cyanophenyl)amino]methylidene]propanedioate

SMILES CCOC(=O)C(C=Nc1ccc(cc1)C#N)C(=O)OCC

InChI Key InChIKey=XOMIRXQJZBJGOD-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 3 hits for monomerid = 72628   

TargetCholinesterase(Human)
Uniwersytet Jagiellonski

US Patent
LigandChemical structure of BindingDB Monomer ID 72628BDBM72628(US12492163, Name (4))
Affinity DataIC50: 489nMAssay 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 US Patent

TargetCarboxylic ester hydrolase(Horse)
Uniwersytet Jagiellonski

US Patent
LigandChemical structure of BindingDB Monomer ID 72628BDBM72628(US12492163, Name (4))
Affinity DataIC50: 514nMAssay 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 US Patent

TargetBeta-secretase 1(Human)
Uniwersytet Jagiellonski

US Patent
LigandChemical structure of BindingDB Monomer ID 72628BDBM72628(US12492163, Name (4))
Affinity DataIC50: 3.92E+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 US Patent