BDBM50635585 CHEMBL5555568

SMILES COCCCNC(=O)c1ccc(Cn2c(SCC3CCCCC3)nc3ccncc32)cc1

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 4 hits for monomerid = 50635585   

TargetNACHT, LRR and PYD domains-containing protein 3(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50635585(CHEMBL5555568)
Affinity DataKd:  1.61E+3nMAssay Description:Binding affinity to LRR domain of NLRP3 (unknown origin) assessed as equilibrium dissociation constant by biolayer interferometry (BLI) analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetNACHT, LRR and PYD domains-containing protein 3(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50635585(CHEMBL5555568)
Affinity DataKd:  6.41E+3nMAssay Description:Binding affinity to LRR domain of NLRP3 (unknown origin) by isothermal titration calorimetry (ITC) analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetNACHT, LRR and PYD domains-containing protein 3(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50635585(CHEMBL5555568)
Affinity DataIC50: 1.15E+4nMAssay Description:Inhibition of LRR domain of NLRP3 inflammasome in LPS/ATP-induced human THP-1 cells assessed as inhibition of IL-1beta level pretreated for 24 hrs fo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetNACHT, LRR and PYD domains-containing protein 3(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50635585(CHEMBL5555568)
Affinity DataKd:  8.81E+4nMAssay Description:Binding affinity to NACHT domain of NLRP3 (unknown origin) assessed as equilibrium dissociation constant by biolayer interferometry (BLI) analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed