BDBM50647121 CHEMBL5591066

SMILES COc1ccccc1CCNC(=O)/C(=C/c1ccc(Br)cc1)CS(=O)(=O)CCC#N

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 = 50647121   

TargetNACHT, LRR and PYD domains-containing protein 3(Mouse)
Fudan University

Curated by ChEMBL
LigandPNGBDBM50647121(CHEMBL5591066)
Affinity DataIC50: 210nMAssay Description:Inhibition of NLRP3 inflammasome activation in M-CSF induced C57BL/6 mouse BMDM cells assessed as inhibition of LPS/nigericin induced IL-1beta produc...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetNACHT, LRR and PYD domains-containing protein 3(Human)
Fudan University

Curated by ChEMBL
LigandPNGBDBM50647121(CHEMBL5591066)
Affinity DataIC50: 260nMAssay Description:Inhibition of NLRP3 inflammasome activation in PMA-differentiated human THP-1 cells assessed as inhibition of LPS/nigericin induced IL-1beta producti...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetNACHT, LRR and PYD domains-containing protein 3(Human)
Fudan University

Curated by ChEMBL
LigandPNGBDBM50647121(CHEMBL5591066)
Affinity DataIC50: 260nMAssay Description:Inhibition of NLRP3 in PMA-differentiated human THP-1 cells assessed as inhibition of LPS/nigericin induced IL-1beta production by ELISAMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetNACHT, LRR and PYD domains-containing protein 3(Human)
Fudan University

Curated by ChEMBL
LigandPNGBDBM50647121(CHEMBL5591066)
Affinity DataKd:  1.05E+3nMAssay Description:Binding affinity to human NLRP3 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