BDBM72172 1-(4-Cyano-benzyl)-4-(4-fluoro-phenyl)-1,4-dihydro-pyrrolo[3,2-b]pyrrole-2-carboxylic acid methyl ester::4-(4-cyanobenzyl)-1-(4-fluorophenyl)pyrrolo[3,2-b]pyrrole-5-carboxylic acid methyl ester::4-[(4-cyanophenyl)methyl]-1-(4-fluorophenyl)-5-pyrrolo[3,2-b]pyrrolecarboxylic acid methyl ester::MLS000559326::SMR000173709::cid_1449809::methyl 4-[(4-cyanophenyl)methyl]-1-(4-fluorophenyl)pyrrolo[3,2-b]pyrrole-5-carboxylate

SMILES COC(=O)c1cc2n(ccc2n1Cc1ccc(cc1)C#N)-c1ccc(F)cc1

InChI Key InChIKey=LRRCVGZRASPRRO-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 2 hits for monomerid = 72172   

TargetXaa-Pro dipeptidase(Human)
Memorial Sloan-Kettering Cancer Center; Memorial Hospital for Cancer and Allied Diseases; Sloan-Kettering Institute for Cancer Research

US Patent
LigandChemical structure of BindingDB Monomer ID 72172BDBM72172(US20250368624, Compound CQ114)
Affinity DataIC50: 720nMAssay 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

TargetXaa-Pro aminopeptidase 1(Human)
Memorial Sloan-Kettering Cancer Center; Memorial Hospital for Cancer and Allied Diseases; Sloan-Kettering Institute for Cancer Research

US Patent
LigandChemical structure of BindingDB Monomer ID 72172BDBM72172(US20250368624, Compound CQ114)
Affinity DataIC50: 7.00E+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:
4/15/2026
Entry Details US Patent