BDBM50642710 CHEMBL5573324

SMILES CC(C)(C1=NN(C(=O)c2n1c3cc(sc3c2)Cl)CC(=O)N[C@@H]4CCCN(C4)C)O

InChI Key InChIKey=AXAOJXUYQVCGBD-UHFFFAOYSA-N

PDB links: 1 PDB ID matches this monomer.

  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 5 hits for monomerid = 50642710   

TargetNACHT, LRR and PYD domains-containing protein 3(Human)
Novartis Biomedical Research

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50642710BDBM50642710(CHEMBL5573324)
Affinity DataIC50: 90nMAssay Description:Inhibition of NLRP3 in PMA-differentiated human THP-1 cells assessed as reduction in IL-1beta release preincubated with compound for 1 hrs followed b...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetNACHT, LRR and PYD domains-containing protein 3(Human)
Novartis Biomedical Research

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50642710BDBM50642710(CHEMBL5573324)
Affinity DataIC50: 214nMAssay Description:Inhibition of NLRP3 in human whole blood assessed as reduction in IL-1beta release preincubated with compound for 60 mins followed by LPS addition fo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetNACHT, LRR and PYD domains-containing protein 3(Mouse)
Novartis Biomedical Research

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50642710BDBM50642710(CHEMBL5573324)
Affinity DataIC50: 248nMAssay Description:Inhibition of NLRP3 in C57BL/6 mouse 50% whole blood assessed as reduction in IL-1beta release preincubated with compound for 60 mins followed by LPS...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetNACHT, LRR and PYD domains-containing protein 3(Human)
Novartis Biomedical Research

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50642710BDBM50642710(CHEMBL5573324)
Affinity DataIC50: 260nMAssay Description:Binding affinity to recombinant NLRP3 NACHT domain (unknown origin) expressed in Sf9 insect cells incubated for 60 mins by fluorescence polarization ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetSynaptic vesicular amine transporter(Human)
Novartis Biomedical Research

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50642710BDBM50642710(CHEMBL5573324)
Affinity DataIC50: 6.50E+3nMAssay Description:Inhibition of VMAT-2 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed