BDBM50644435 CHEMBL5565154

SMILES COC(=O)C1(NC(=O)N[C@]2(C)CC[C@]3(C)CC[C@]4(C)C5=CC=C6C(=CC(=O)C(O)=C6C)[C@]5(C)CC[C@@]4(C)[C@@H]3C2)CCC1

InChI Key

  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 7 hits for monomerid = 50644435   

TargetPeroxiredoxin-1(Human)
Shanghai Jiao Tong University

Curated by ChEMBL
LigandPNGBDBM50644435(CHEMBL5565154)
Affinity DataIC50: 350nMAssay Description:Inhibition of recombinant PRDX1 (unknown origin) using H2O2 as substrate preincubated for 0.5 hrs followed by substrate addition by TRX-TrxR-NADPH co...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetPeroxiredoxin-1(Human)
Shanghai Jiao Tong University

Curated by ChEMBL
LigandPNGBDBM50644435(CHEMBL5565154)
Affinity DataKd:  370nMAssay Description:Binding affinity to CM5 sensor chip-immobilized recombinant PRDX1 (unknown origin) assessed as dissociation constant by SPR analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetPeroxiredoxin-6(Homo sapiens)
Shanghai Jiao Tong University

Curated by ChEMBL
LigandPNGBDBM50644435(CHEMBL5565154)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of recombinant PRDX6 (unknown origin) using H2O2 as substrate preincubated for 0.5 hrs followed by substrate addition by TRX-TrxR-NADPH co...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetPeroxiredoxin-5, mitochondrial(Homo sapiens)
Shanghai Jiao Tong University

Curated by ChEMBL
LigandPNGBDBM50644435(CHEMBL5565154)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of recombinant PRDX5 (unknown origin) using H2O2 as substrate preincubated for 0.5 hrs followed by substrate addition by TRX-TrxR-NADPH co...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetPeroxiredoxin-4(Homo sapiens)
Shanghai Jiao Tong University

Curated by ChEMBL
LigandPNGBDBM50644435(CHEMBL5565154)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of recombinant PRDX4 (unknown origin) using H2O2 as substrate preincubated for 0.5 hrs followed by substrate addition by TRX-TrxR-NADPH co...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetThioredoxin-dependent peroxide reductase, mitochondrial(Homo sapiens)
Shanghai Jiao Tong University

Curated by ChEMBL
LigandPNGBDBM50644435(CHEMBL5565154)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of recombinant PRDX3 (unknown origin) using H2O2 as substrate preincubated for 0.5 hrs followed by substrate addition by TRX-TrxR-NADPH co...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetPeroxiredoxin-2(Homo sapiens)
Shanghai Jiao Tong University

Curated by ChEMBL
LigandPNGBDBM50644435(CHEMBL5565154)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of recombinant PRDX2 (unknown origin) using H2O2 as substrate preincubated for 0.5 hrs followed by substrate addition by TRX-TrxR-NADPH co...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed