BDBM50622947 CHEMBL5430191

SMILES COC(=O)c1ccc(nc1)-c1cn(Cc2cc(Cl)ccc2OC)nn1

InChI Key InChIKey=KQDKLEODOIGKGW-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 = 50622947   

TargetNACHT, LRR and PYD domains-containing protein 3(Human)
Usona Institute

Curated by ChEMBL
LigandPNGBDBM50622947(CHEMBL5430191 | US20250243172, Compound Formula IX...)
Affinity DataKd:  0.860nMAssay 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
LigandPNGBDBM50622947(CHEMBL5430191 | US20250243172, Compound Formula IX...)
Affinity DataKd:  25nMAssay 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
LigandPNGBDBM50622947(CHEMBL5430191 | US20250243172, Compound Formula IX...)
Affinity DataKd:  860nMAssay 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
LigandPNGBDBM50622947(CHEMBL5430191 | US20250243172, Compound Formula IX...)
Affinity DataIC50: 2.31E+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