BDBM72634 2,5-dimethyl-4-[2-(7-nitroquinazolin-4-yl)oxyacetyl]-1H-pyrrole-3-carboxylic acid ethyl ester::2,5-dimethyl-4-[2-[(7-nitro-4-quinazolinyl)oxy]-1-oxoethyl]-1H-pyrrole-3-carboxylic acid ethyl ester::MLS001033937::SMR000385841::cid_2128248::ethyl 2,5-dimethyl-4-[2-(7-nitroquinazolin-4-yl)oxyacetyl]-1H-pyrrole-3-carboxylate::ethyl 2,5-dimethyl-4-[2-(7-nitroquinazolin-4-yl)oxyethanoyl]-1H-pyrrole-3-carboxylate

SMILES CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COc1ncnc2cc(ccc12)[N+]([O-])=O

InChI Key InChIKey=KKAFRUNBIZAKAQ-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 = 72634   

TargetCarboxylic ester hydrolase(Horse)
Uniwersytet Jagiellonski

US Patent
LigandChemical structure of BindingDB Monomer ID 72634BDBM72634(US12492163, Name (9))
Affinity DataIC50: 264nMAssay 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

TargetCholinesterase(Human)
Uniwersytet Jagiellonski

US Patent
LigandChemical structure of BindingDB Monomer ID 72634BDBM72634(US12492163, Name (9))
Affinity DataIC50: 812nMAssay 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 72634BDBM72634(US12492163, Name (9))
Affinity DataIC50: 2.01E+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:
4/20/2026
Entry Details US Patent