BDBM50622948 CHEMBL5434916

SMILES CCCOc1ccc(Cl)cc1Cn1cc(nn1)-c1ccccc1

InChI Key InChIKey=DXOCETBQCNSFCU-UHFFFAOYSA-N

Data  1 Kd

  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 = 50622948   

TargetNACHT, LRR and PYD domains-containing protein 3(Human)
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50622948(CHEMBL5434916 | US20250243172, Compound Formula X ...)
Affinity DataKd:  55nMAssay Description:Binding affinity to full-length human recombinant NLRP3 assessed as dissociation constant incubated for 30 mins by microscale thermophoresis assayMore data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetNACHT, LRR and PYD domains-containing protein 3(Human)
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50622948(CHEMBL5434916 | US20250243172, Compound Formula X ...)
Affinity DataKd:  69nMAssay Description:Binding affinity to human recombinant NLRP3 inflammasomeMore data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
12/17/2024
Entry Details
PubMed
TargetNACHT, LRR and PYD domains-containing protein 3(Mouse)
Virginia Commonwealth University

US Patent
LigandPNGBDBM50622948(CHEMBL5434916 | US20250243172, Compound Formula X ...)
Affinity DataKd:  69nMAssay Description:Monolith NT. Automated instrument was used to measure the Kd value. A range of concentrations of NSIs were incubated and His-NLRP3 pre-labeled with R...More data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
11/12/2025
Entry Details
US Patent

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

US Patent
LigandPNGBDBM50622948(CHEMBL5434916 | US20250243172, Compound Formula X ...)
Affinity DataIC50: 2.09E+3nMAssay Description:Inhibition of NLRP3 inflammasome activation in LPS treated mouse J774.A1 cells assessed as inhibition of ATP-stimulated IL-1beta secretion pre-incuba...More data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed