BDBM72270 (E)-2-butenedioic acid bis[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] ester::(E)-but-2-enedioic acid bis[2-(3-chloro-4-methoxy-anilino)-2-keto-ethyl] ester::MLS000416385::SMR000264204::bis[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] (E)-but-2-enedioate::bis[2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] (E)-but-2-enedioate::cid_5823841

SMILES COc1ccc(NC(=O)COC(=O)\C=C\C(=O)OCC(=O)Nc2ccc(OC)c(Cl)c2)cc1Cl

InChI Key InChIKey=QYIBZXMTOIPDDS-UHFFFAOYSA-N

Data  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 72270   

LigandChemical structure of BindingDB Monomer ID 72270BDBM72270(3-[4-(4-{2-[3-(3-{4-chloro-3-ethyl-1H-pyrrolo [2, ...)
Affinity DataIC50: 2.90nMAssay 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

TargetAurora kinase A(Human)
BioFront

US Patent
LigandChemical structure of BindingDB Monomer ID 72270BDBM72270(3-[4-(4-{2-[3-(3-{4-chloro-3-ethyl-1H-pyrrolo [2, ...)
Affinity DataIC50: 16.6nMAssay 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

LigandChemical structure of BindingDB Monomer ID 72270BDBM72270(3-[4-(4-{2-[3-(3-{4-chloro-3-ethyl-1H-pyrrolo [2, ...)
Affinity DataIC50: 17.4nMAssay 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