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Assay Detail

CHEMBL4605569

Review assay metadata, readout intent, target linkage, and publication context from the same page.

Binding
Inhibition of NLRP3 inflammasome activation in LPS-primed human THP1 cells assessed as reduction in IL-1beta level preincubated for 1 hr followed by addition of ATP and nigericin further incubated for 1 hrs and measured post ATP addition 1 hr by ELISA method
30
Total Activities
30
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Cell Type THP-1
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

NACHT, LRR and PYD domains-containing protein 3 (CHEMBL1741208)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Discovery of <i>N</i>-Cyano-sulfoximineurea Derivatives as Potent and Orally Bioavailable NLRP3 Inflammasome Inhibitors.
Agarwal S, Sasane S, Shah HA, Pethani JP, Deshmukh P, Vyas V, Iyer P, Bhavsar H, Viswanathan K, Bandyopadhyay D, Giri P, Mahapatra J, Chatterjee A, Jain MR, Sharma R.
ACS Med Chem Lett (2020) 11 : 414 -418
PubMed 32292543 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 30 7.72 8.28

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4644835 1 8.28
CHEMBL4647321 1 8.17
CHEMBL3183703 1 8.10
CHEMBL4641961 1 7.93
CHEMBL4642066 1 7.82
CHEMBL4647621 1 7.68
CHEMBL4649141 1 7.64
CHEMBL4643205 1 7.47
CHEMBL4640151 1 7.46
CHEMBL4636825 1 7.44
CHEMBL4646271 1 6.96
CHEMBL4649621 1 -
CHEMBL4641660 1 -
CHEMBL4649881 1 -
CHEMBL4636808 1 -
CHEMBL4643011 1 -
CHEMBL4640804 1 -
CHEMBL4633769 1 -
CHEMBL4634682 1 -
CHEMBL4644865 1 -
CHEMBL4643208 1 -
CHEMBL4646037 1 -
CHEMBL4643062 1 -
CHEMBL4637610 1 -
CHEMBL4644503 1 -
CHEMBL4635816 1 -
CHEMBL4633580 1 -
CHEMBL4634472 1 -
CHEMBL4640644 1 -
CHEMBL4649429 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4644835 IC50 = 5.3 nM 8.28
CHEMBL4647321 IC50 = 6.8 nM 8.17
CHEMBL3183703 IC50 = 8.0 nM 8.10
CHEMBL4641961 IC50 = 11.7 nM 7.93
CHEMBL4642066 IC50 = 15.0 nM 7.82
CHEMBL4647621 IC50 = 21.0 nM 7.68
CHEMBL4649141 IC50 = 23.0 nM 7.64
CHEMBL4643205 IC50 = 34.0 nM 7.47
CHEMBL4640151 IC50 = 35.0 nM 7.46
CHEMBL4636825 IC50 = 36.3 nM 7.44
CHEMBL4646271 IC50 = 110.0 nM 6.96
CHEMBL4649621 IC50 > 1000.0 nM -
CHEMBL4641660 IC50 > 1000.0 nM -
CHEMBL4649881 IC50 > 1000.0 nM -
CHEMBL4636808 IC50 > 1000.0 nM -
CHEMBL4643011 IC50 > 1000.0 nM -
CHEMBL4640804 IC50 > 1000.0 nM -
CHEMBL4633769 IC50 > 1000.0 nM -
CHEMBL4634682 IC50 > 1000.0 nM -
CHEMBL4644865 IC50 > 1000.0 nM -
CHEMBL4643208 IC50 > 1000.0 nM -
CHEMBL4646037 IC50 > 1000.0 nM -
CHEMBL4643062 IC50 > 1000.0 nM -
CHEMBL4637610 IC50 > 1000.0 nM -
CHEMBL4644503 IC50 > 1000.0 nM -
CHEMBL4635816 IC50 > 1000.0 nM -
CHEMBL4633580 IC50 > 1000.0 nM -
CHEMBL4634472 IC50 > 1000.0 nM -
CHEMBL4640644 IC50 > 1000.0 nM -
CHEMBL4649429 IC50 > 1000.0 nM -