BDBM50547192 CHEMBL4747331

SMILES COC(=O)c1ccc(cc1)[C@H]2c3c(c4ccccc4[nH]3)C[C@@H](N2C(=O)CCl)C(=O)OC

InChI Key InChIKey=TXJZRSRTYPUYRW-UHFFFAOYSA-N

Data  1 IC50  2 EC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50547192   

TargetPhospholipid hydroperoxide glutathione peroxidase(Human)
Institute of Mit and Harvard

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50547192BDBM50547192(CHEMBL4747331)
Affinity DataEC50:  12nMAssay Description:Inhibition of GPX4 in human LOX IMVI cells assessed as ferroptosis-mediated cell death measured as cell viabilityMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPhospholipid hydroperoxide glutathione peroxidase(Human)
Institute of Mit and Harvard

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50547192BDBM50547192(CHEMBL4747331)
Affinity DataKd:  44nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/5/2026
Entry Details PubMedPDB3D3D Structure (crystal)
TargetPhospholipid hydroperoxide glutathione peroxidase(Human)
Institute of Mit and Harvard

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50547192BDBM50547192(CHEMBL4747331)
Affinity DataEC50:  3.80E+3nMAssay Description:Inhibition of GPX4 in human LOX IMVI cells assessed as ferroptosis-mediated cell death measured as cell viability in presence of ferrostatin-1More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPhospholipid hydroperoxide glutathione peroxidase(Human)
Institute of Mit and Harvard

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50547192BDBM50547192(CHEMBL4747331)
Affinity DataIC50: 8.42E+3nMAssay Description:Inhibition of GPX4 (unknown origin) incubated for 1 hrs in presence of glutathione and glutathione reductase by microplate reader analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/17/2024
Entry Details
PubMedPDB3D3D Structure (crystal)