Compile Data Set for Download or QSAR
Found 571 Enz. Inhib. hit(s) with Target = 'NACHT, LRR and PYD domains-containing protein 3'
TargetNACHT, LRR and PYD domains-containing protein 3(Mus musculus)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50505850(DAPANSUTRILE | Dapansutrile | OLT-1177 | OLT1177)
Show SMILES CS(=O)(=O)CCC#N
Show InChI InChI=1S/C4H7NO2S/c1-8(6,7)4-2-3-5/h2,4H2,1H3
Affinity DataIC50: 1nMAssay Description:Inhibition of NLRP3 inflammasome activation in LPS-primed mouse J774A.1 cells assessed as reduction in IL-1beta level preincubated for 30 mins follow...More data for this Ligand-Target Pair
TargetNACHT, LRR and PYD domains-containing protein 3(Homo sapiens (Human))
The University of Queensland

Curated by ChEMBL
LigandPNGBDBM50155926(CHEMBL3183703)
Show SMILES CC(C)(O)c1coc(c1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12
Show InChI InChI=1S/C20H24N2O5S/c1-20(2,24)14-10-17(27-11-14)28(25,26)22-19(23)21-18-15-7-3-5-12(15)9-13-6-4-8-16(13)18/h9-11,24H,3-8H2,1-2H3,(H2,21,22,23)
Affinity DataIC50: 5nMAssay Description:Inhibition of NLRP3 in human monocyte derived macrophages assessed as reduction in LPS-induced IL-1beta production incubated for 30 mins followed by ...More data for this Ligand-Target Pair
TargetNACHT, LRR and PYD domains-containing protein 3(Homo sapiens (Human))
The University of Queensland

Curated by ChEMBL
LigandPNGBDBM50155926(CHEMBL3183703)
Show SMILES CC(C)(O)c1coc(c1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12
Show InChI InChI=1S/C20H24N2O5S/c1-20(2,24)14-10-17(27-11-14)28(25,26)22-19(23)21-18-15-7-3-5-12(15)9-13-6-4-8-16(13)18/h9-11,24H,3-8H2,1-2H3,(H2,21,22,23)
Affinity DataIC50: 5nMAssay Description:Inhibition of NLRP3 in human monocyte derived macrophages assessed as reduction in LPS-induced IL-1beta production incubated for 30 mins followed by ...More data for this Ligand-Target Pair
TargetNACHT, LRR and PYD domains-containing protein 3(Homo sapiens (Human))
The University of Queensland

Curated by ChEMBL
LigandPNGBDBM50538416(CHEMBL4644835 | US11236045, Example 25)
Show SMILES Cc1ccc(cc1F)S(=O)(NC(=O)Nc1c2CCCc2cc2CCCc12)=NC#N
Show InChI InChI=1S/C21H21FN4O2S/c1-13-8-9-16(11-19(13)22)29(28,24-12-23)26-21(27)25-20-17-6-2-4-14(17)10-15-5-3-7-18(15)20/h8-11H,2-7H2,1H3,(H2,24,25,26,27,28)
Affinity DataIC50: 5.30nMAssay Description:Inhibition of NLRP3 inflammasome activation in LPS-primed human THP1 cells assessed as reduction in IL-1beta level preincubated for 1 hr followed by ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNACHT, LRR and PYD domains-containing protein 3(Homo sapiens (Human))
The University of Queensland

Curated by ChEMBL
LigandPNGBDBM50155926(CHEMBL3183703)
Show SMILES CC(C)(O)c1coc(c1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12
Show InChI InChI=1S/C20H24N2O5S/c1-20(2,24)14-10-17(27-11-14)28(25,26)22-19(23)21-18-15-7-3-5-12(15)9-13-6-4-8-16(13)18/h9-11,24H,3-8H2,1-2H3,(H2,21,22,23)
Affinity DataIC50: 6nMAssay Description:Inhibition of NLRP3 in human monocyte derived macrophages assessed as reduction in LPS-induced IL-1beta production incubated for 30 mins followed by ...More data for this Ligand-Target Pair
TargetNACHT, LRR and PYD domains-containing protein 3(Homo sapiens (Human))
The University of Queensland

Curated by ChEMBL
LigandPNGBDBM50155926(CHEMBL3183703)
Show SMILES CC(C)(O)c1coc(c1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12
Show InChI InChI=1S/C20H24N2O5S/c1-20(2,24)14-10-17(27-11-14)28(25,26)22-19(23)21-18-15-7-3-5-12(15)9-13-6-4-8-16(13)18/h9-11,24H,3-8H2,1-2H3,(H2,21,22,23)
Affinity DataIC50: 6nMAssay Description:Inhibition of NLRP3 in human monocyte derived macrophages assessed as reduction in LPS-induced IL-1beta production incubated for 30 mins followed by ...More data for this Ligand-Target Pair
TargetNACHT, LRR and PYD domains-containing protein 3(Homo sapiens (Human))
The University of Queensland

Curated by ChEMBL
LigandPNGBDBM50538393(CHEMBL4647321 | US11236045, Example 1)
Show SMILES Cc1ccc(cc1)S(=O)(NC(=O)Nc1c2CCCc2cc2CCCc12)=NC#N
Show InChI InChI=1S/C21H22N4O2S/c1-14-8-10-17(11-9-14)28(27,23-13-22)25-21(26)24-20-18-6-2-4-15(18)12-16-5-3-7-19(16)20/h8-12H,2-7H2,1H3,(H2,23,24,25,26,27)
Affinity DataIC50: 6.80nMAssay Description:Inhibition of NLRP3 inflammasome activation in LPS-primed human THP1 cells assessed as reduction in IL-1beta level preincubated for 1 hr followed by ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNACHT, LRR and PYD domains-containing protein 3(Homo sapiens (Human))
The University of Queensland

Curated by ChEMBL
LigandPNGBDBM50155926(CHEMBL3183703)
Show SMILES CC(C)(O)c1coc(c1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12
Show InChI InChI=1S/C20H24N2O5S/c1-20(2,24)14-10-17(27-11-14)28(25,26)22-19(23)21-18-15-7-3-5-12(15)9-13-6-4-8-16(13)18/h9-11,24H,3-8H2,1-2H3,(H2,21,22,23)
Affinity DataIC50: 7nMAssay Description:Inhibition of NLRP3 in human monocyte derived macrophages assessed as reduction in LPS-induced IL-1beta production incubated for 30 mins followed by ...More data for this Ligand-Target Pair
TargetNACHT, LRR and PYD domains-containing protein 3(Mus musculus)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50155926(CHEMBL3183703)
Show SMILES CC(C)(O)c1coc(c1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12
Show InChI InChI=1S/C20H24N2O5S/c1-20(2,24)14-10-17(27-11-14)28(25,26)22-19(23)21-18-15-7-3-5-12(15)9-13-6-4-8-16(13)18/h9-11,24H,3-8H2,1-2H3,(H2,21,22,23)
Affinity DataIC50: 7.5nMAssay Description:Inhibition of NLRP3 in LPS/ATP-treated mouse bone marrow derived macrophages assessed as reduction in NLRP3 inflammasome activation by measuring redu...More data for this Ligand-Target Pair
TargetNACHT, LRR and PYD domains-containing protein 3(Mus musculus)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50155926(CHEMBL3183703)
Show SMILES CC(C)(O)c1coc(c1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12
Show InChI InChI=1S/C20H24N2O5S/c1-20(2,24)14-10-17(27-11-14)28(25,26)22-19(23)21-18-15-7-3-5-12(15)9-13-6-4-8-16(13)18/h9-11,24H,3-8H2,1-2H3,(H2,21,22,23)
Affinity DataIC50: 7.5nMAssay Description:Inhibition of NLRP3 in mouse BMDM cells preincubated for 30 mins followed by ATP addition by ELISA analysisMore data for this Ligand-Target Pair
TargetNACHT, LRR and PYD domains-containing protein 3(Mus musculus)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50155926(CHEMBL3183703)
Show SMILES CC(C)(O)c1coc(c1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12
Show InChI InChI=1S/C20H24N2O5S/c1-20(2,24)14-10-17(27-11-14)28(25,26)22-19(23)21-18-15-7-3-5-12(15)9-13-6-4-8-16(13)18/h9-11,24H,3-8H2,1-2H3,(H2,21,22,23)
Affinity DataIC50: 7.5nMAssay Description:Inhibition of NLRP3 inflammasome activation in LPS-stimulated mouse BMDM assessed as reduction in NLRP3 inflammasome-induced IL-1beta production prei...More data for this Ligand-Target Pair
TargetNACHT, LRR and PYD domains-containing protein 3(Mus musculus)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50155926(CHEMBL3183703)
Show SMILES CC(C)(O)c1coc(c1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12
Show InChI InChI=1S/C20H24N2O5S/c1-20(2,24)14-10-17(27-11-14)28(25,26)22-19(23)21-18-15-7-3-5-12(15)9-13-6-4-8-16(13)18/h9-11,24H,3-8H2,1-2H3,(H2,21,22,23)
Affinity DataIC50: 7.5nMAssay Description:Inhibition of NLRP3 inflammasome activation in LPS/nigericin-treated mouse BMDM cells assessed as inhibition of LPS and nigericin-induced IL-1beta pr...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetNACHT, LRR and PYD domains-containing protein 3(Mus musculus)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50155926(CHEMBL3183703)
Show SMILES CC(C)(O)c1coc(c1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12
Show InChI InChI=1S/C20H24N2O5S/c1-20(2,24)14-10-17(27-11-14)28(25,26)22-19(23)21-18-15-7-3-5-12(15)9-13-6-4-8-16(13)18/h9-11,24H,3-8H2,1-2H3,(H2,21,22,23)
Affinity DataIC50: 7.5nMAssay Description:Inhibition of NLRP3 inflammasome activation in LPS-primed mouse bone marrow derived macrophages assessed as reduction in IL-1beta level preincubated ...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetNACHT, LRR and PYD domains-containing protein 3(Mus musculus)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50155926(CHEMBL3183703)
Show SMILES CC(C)(O)c1coc(c1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12
Show InChI InChI=1S/C20H24N2O5S/c1-20(2,24)14-10-17(27-11-14)28(25,26)22-19(23)21-18-15-7-3-5-12(15)9-13-6-4-8-16(13)18/h9-11,24H,3-8H2,1-2H3,(H2,21,22,23)
Affinity DataIC50: 7.5nMAssay Description:Inhibition of NLRP3 in mouse BMDMsMore data for this Ligand-Target Pair
TargetNACHT, LRR and PYD domains-containing protein 3(Homo sapiens (Human))
The University of Queensland

Curated by ChEMBL
LigandPNGBDBM50155926(CHEMBL3183703)
Show SMILES CC(C)(O)c1coc(c1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12
Show InChI InChI=1S/C20H24N2O5S/c1-20(2,24)14-10-17(27-11-14)28(25,26)22-19(23)21-18-15-7-3-5-12(15)9-13-6-4-8-16(13)18/h9-11,24H,3-8H2,1-2H3,(H2,21,22,23)
Affinity DataIC50: 8nMAssay Description:Inhibition of NLRP3 in human monocyte derived macrophages assessed as reduction in LPS-induced IL-1beta production by ELISAMore data for this Ligand-Target Pair
TargetNACHT, LRR and PYD domains-containing protein 3(Homo sapiens (Human))
The University of Queensland

Curated by ChEMBL
LigandPNGBDBM50155926(CHEMBL3183703)
Show SMILES CC(C)(O)c1coc(c1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12
Show InChI InChI=1S/C20H24N2O5S/c1-20(2,24)14-10-17(27-11-14)28(25,26)22-19(23)21-18-15-7-3-5-12(15)9-13-6-4-8-16(13)18/h9-11,24H,3-8H2,1-2H3,(H2,21,22,23)
Affinity DataIC50: 8nMAssay Description:Inhibition of NLRP3 inflammasome activation in LPS-primed human THP1 cells assessed as reduction in IL-1beta level preincubated for 1 hr followed by ...More data for this Ligand-Target Pair
TargetNACHT, LRR and PYD domains-containing protein 3(Homo sapiens (Human))
The University of Queensland

Curated by ChEMBL
LigandPNGBDBM50155926(CHEMBL3183703)
Show SMILES CC(C)(O)c1coc(c1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12
Show InChI InChI=1S/C20H24N2O5S/c1-20(2,24)14-10-17(27-11-14)28(25,26)22-19(23)21-18-15-7-3-5-12(15)9-13-6-4-8-16(13)18/h9-11,24H,3-8H2,1-2H3,(H2,21,22,23)
Affinity DataIC50: 8nMAssay Description:Inhibition of NLRP3 in human THP1 cells assessed as inhibition of IL-1beta productionMore data for this Ligand-Target Pair
TargetNACHT, LRR and PYD domains-containing protein 3(Homo sapiens (Human))
The University of Queensland

Curated by ChEMBL
LigandPNGBDBM50155926(CHEMBL3183703)
Show SMILES CC(C)(O)c1coc(c1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12
Show InChI InChI=1S/C20H24N2O5S/c1-20(2,24)14-10-17(27-11-14)28(25,26)22-19(23)21-18-15-7-3-5-12(15)9-13-6-4-8-16(13)18/h9-11,24H,3-8H2,1-2H3,(H2,21,22,23)
Affinity DataIC50: 8.10nMAssay Description:Inhibition of NLRP3 inflammasome activation in LPS-primed human monocyte derived macrophages assessed as reduction in IL-1beta level preincubated for...More data for this Ligand-Target Pair
TargetNACHT, LRR and PYD domains-containing protein 3(Homo sapiens (Human))
The University of Queensland

Curated by ChEMBL
LigandPNGBDBM50155926(CHEMBL3183703)
Show SMILES CC(C)(O)c1coc(c1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12
Show InChI InChI=1S/C20H24N2O5S/c1-20(2,24)14-10-17(27-11-14)28(25,26)22-19(23)21-18-15-7-3-5-12(15)9-13-6-4-8-16(13)18/h9-11,24H,3-8H2,1-2H3,(H2,21,22,23)
Affinity DataIC50: 8.10nMAssay Description:Inhibition of NLRP3 in human monocyte-derived macrophagesMore data for this Ligand-Target Pair
TargetNACHT, LRR and PYD domains-containing protein 3(Homo sapiens (Human))
The University of Queensland

Curated by ChEMBL
LigandPNGBDBM50155926(CHEMBL3183703)
Show SMILES CC(C)(O)c1coc(c1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12
Show InChI InChI=1S/C20H24N2O5S/c1-20(2,24)14-10-17(27-11-14)28(25,26)22-19(23)21-18-15-7-3-5-12(15)9-13-6-4-8-16(13)18/h9-11,24H,3-8H2,1-2H3,(H2,21,22,23)
Affinity DataIC50: 8.10nMAssay Description:Inhibition of NLRP3 in LPS/ATP-treated human monocyte derived macrophages assessed as reduction in NLRP3 inflammasome activation by measuring reducti...More data for this Ligand-Target Pair
TargetNACHT, LRR and PYD domains-containing protein 3(Homo sapiens (Human))
The University of Queensland

Curated by ChEMBL
LigandPNGBDBM50538418(CHEMBL4641961 | US11236045, Example 54)
Show SMILES O=C(Nc1c2CCCc2cc2CCCc12)NS(=O)(=NC#N)c1cccc(c1)C#N
Show InChI InChI=1S/C21H19N5O2S/c22-12-14-4-1-7-17(10-14)29(28,24-13-23)26-21(27)25-20-18-8-2-5-15(18)11-16-6-3-9-19(16)20/h1,4,7,10-11H,2-3,5-6,8-9H2,(H2,24,25,26,27,28)
Affinity DataIC50: 12nMAssay Description:Inhibition of NLRP3 inflammasome activation in LPS-primed human THP1 cells assessed as reduction in IL-1beta level preincubated for 1 hr followed by ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNACHT, LRR and PYD domains-containing protein 3(Homo sapiens (Human))
The University of Queensland

Curated by ChEMBL
LigandPNGBDBM50538405(CHEMBL4642066)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12
Show InChI InChI=1S/C20H22N2O3S/c1-13-8-10-16(11-9-13)26(24,25)22-20(23)21-19-17-6-2-4-14(17)12-15-5-3-7-18(15)19/h8-12H,2-7H2,1H3,(H2,21,22,23)
Affinity DataIC50: 15nMAssay Description:Inhibition of NLRP3 inflammasome activation in LPS-primed human THP1 cells assessed as reduction in IL-1beta level preincubated for 1 hr followed by ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNACHT, LRR and PYD domains-containing protein 3(Homo sapiens (Human))
The University of Queensland

Curated by ChEMBL
LigandPNGBDBM50538407(CHEMBL4647621 | US11236045, Example 22)
Show SMILES O=C(Nc1c2CCCc2cc2CCCc12)NS(=O)(=NC#N)c1ccccc1
Show InChI InChI=1S/C20H20N4O2S/c21-13-22-27(26,16-8-2-1-3-9-16)24-20(25)23-19-17-10-4-6-14(17)12-15-7-5-11-18(15)19/h1-3,8-9,12H,4-7,10-11H2,(H2,22,23,24,25,26)
Affinity DataIC50: 21nMAssay Description:Inhibition of NLRP3 inflammasome activation in LPS-primed human THP1 cells assessed as reduction in IL-1beta level preincubated for 1 hr followed by ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNACHT, LRR and PYD domains-containing protein 3(Homo sapiens (Human))
The University of Queensland

Curated by ChEMBL
LigandPNGBDBM50538421(CHEMBL4649141 | US11236045, Example 30)
Show SMILES O=C(Nc1c2CCCc2cc2CCCc12)NS(=O)(=NC#N)c1ccccn1
Show InChI InChI=1S/C19H19N5O2S/c20-12-22-27(26,17-9-1-2-10-21-17)24-19(25)23-18-15-7-3-5-13(15)11-14-6-4-8-16(14)18/h1-2,9-11H,3-8H2,(H2,22,23,24,25,26)
Affinity DataIC50: 23nMAssay Description:Inhibition of NLRP3 inflammasome activation in LPS-primed human THP1 cells assessed as reduction in IL-1beta level preincubated for 1 hr followed by ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNACHT, LRR and PYD domains-containing protein 3(Homo sapiens (Human))
The University of Queensland

Curated by ChEMBL
LigandPNGBDBM50547438(CHEMBL4752523)
Show SMILES O=C(Nc1c2CCCc2cc2CCCc12)NS(=O)(=O)\C=C\c1nccs1
Show InChI InChI=1S/C18H19N3O3S2/c22-18(21-26(23,24)10-7-16-19-8-9-25-16)20-17-14-5-1-3-12(14)11-13-4-2-6-15(13)17/h7-11H,1-6H2,(H2,20,21,22)/b10-7+
Affinity DataIC50: 24nMAssay Description:Inhibition of NLRP3 inflammasome activation in human THP1 cells assessed as inhibition of IL-1beta release in presence of MSUMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetNACHT, LRR and PYD domains-containing protein 3(Homo sapiens (Human))
The University of Queensland

Curated by ChEMBL
LigandPNGBDBM50547438(CHEMBL4752523)
Show SMILES O=C(Nc1c2CCCc2cc2CCCc12)NS(=O)(=O)\C=C\c1nccs1
Show InChI InChI=1S/C18H19N3O3S2/c22-18(21-26(23,24)10-7-16-19-8-9-25-16)20-17-14-5-1-3-12(14)11-13-4-2-6-15(13)17/h7-11H,1-6H2,(H2,20,21,22)/b10-7+
Affinity DataIC50: 26nMAssay Description:Inhibition of NLRP3 inflammasome activation in human THP1 cells assessed as inhibition of IL-1beta release in presence of nigericinMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetNACHT, LRR and PYD domains-containing protein 3(Homo sapiens (Human))
The University of Queensland

Curated by ChEMBL
LigandPNGBDBM50553900(CHEMBL4750616)
Show SMILES [Na+].CC(C)(O)c1coc(c1)S(=O)(=O)[N-]C(=O)Nc1c2CCCc2cc2CCCc12
Show InChI InChI=1S/C20H24N2O5S.Na/c1-20(2,24)14-10-17(27-11-14)28(25,26)22-19(23)21-18-15-7-3-5-12(15)9-13-6-4-8-16(13)18;/h9-11,24H,3-8H2,1-2H3,(H2,21,22,23);/q;+1/p-1
Affinity DataIC50: 28nMAssay Description:Inhibition of NLRP3 in human THP-1 cells assessed as reduction in nigercin-induced ASC speck formation measuring green fluorescent protein aggregatio...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetNACHT, LRR and PYD domains-containing protein 3(Homo sapiens (Human))
The University of Queensland

Curated by ChEMBL
LigandPNGBDBM50553945(CHEMBL4790034)
Show SMILES CCOC(=O)[C@@H](Cc1cnccn1)NC(=O)Nc1c2CCCc2cc2CCCc12
Show InChI InChI=1S/C22H26N4O3/c1-2-29-21(27)19(12-16-13-23-9-10-24-16)25-22(28)26-20-17-7-3-5-14(17)11-15-6-4-8-18(15)20/h9-11,13,19H,2-8,12H2,1H3,(H2,25,26,28)/t19-/m1/s1
Affinity DataIC50: 30nMAssay Description:Inhibition of NLRP3 in human PBMC cells assessed as inhibition of LPS and ATP-induced IL-1beta productionMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetNACHT, LRR and PYD domains-containing protein 3(Homo sapiens (Human))
The University of Queensland

Curated by ChEMBL
LigandPNGBDBM50553900(CHEMBL4750616)
Show SMILES [Na+].CC(C)(O)c1coc(c1)S(=O)(=O)[N-]C(=O)Nc1c2CCCc2cc2CCCc12
Show InChI InChI=1S/C20H24N2O5S.Na/c1-20(2,24)14-10-17(27-11-14)28(25,26)22-19(23)21-18-15-7-3-5-12(15)9-13-6-4-8-16(13)18;/h9-11,24H,3-8H2,1-2H3,(H2,21,22,23);/q;+1/p-1
Affinity DataIC50: 30nMAssay Description:Inhibition of NLRP3 in human PBMC cells assessed as inhibition of LPS and ATP-induced IL-1beta productionMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetNACHT, LRR and PYD domains-containing protein 3(Homo sapiens (Human))
The University of Queensland

Curated by ChEMBL
LigandPNGBDBM50547438(CHEMBL4752523)
Show SMILES O=C(Nc1c2CCCc2cc2CCCc12)NS(=O)(=O)\C=C\c1nccs1
Show InChI InChI=1S/C18H19N3O3S2/c22-18(21-26(23,24)10-7-16-19-8-9-25-16)20-17-14-5-1-3-12(14)11-13-4-2-6-15(13)17/h7-11H,1-6H2,(H2,20,21,22)/b10-7+
Affinity DataIC50: 33nMAssay Description:Inhibition of NLRP3 (unknown origin) assessed as inhibition of IL-18 production by cell based assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetNACHT, LRR and PYD domains-containing protein 3(Homo sapiens (Human))
The University of Queensland

Curated by ChEMBL
LigandPNGBDBM50553944(CHEMBL4780624)
Show SMILES CCOC(=O)[C@@H](Cc1ncccn1)NC(=O)Nc1c2CCCc2cc2CCCc12
Show InChI InChI=1S/C22H26N4O3/c1-2-29-21(27)18(13-19-23-10-5-11-24-19)25-22(28)26-20-16-8-3-6-14(16)12-15-7-4-9-17(15)20/h5,10-12,18H,2-4,6-9,13H2,1H3,(H2,25,26,28)/t18-/m1/s1
Affinity DataIC50: 33nMAssay Description:Inhibition of NLRP3 in human THP-1 cells assessed as reduction in nigercin-induced ASC speck formation measuring green fluorescent protein aggregatio...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetNACHT, LRR and PYD domains-containing protein 3(Homo sapiens (Human))
The University of Queensland

Curated by ChEMBL
LigandPNGBDBM50538417(CHEMBL4643205 | US11236045, Example 55)
Show SMILES O=C(Nc1c2CCCc2cc2CCCc12)NS(=O)(=NC#N)c1ccc(cc1)C#N
Show InChI InChI=1S/C21H19N5O2S/c22-12-14-7-9-17(10-8-14)29(28,24-13-23)26-21(27)25-20-18-5-1-3-15(18)11-16-4-2-6-19(16)20/h7-11H,1-6H2,(H2,24,25,26,27,28)
Affinity DataIC50: 34nMAssay Description:Inhibition of NLRP3 inflammasome activation in LPS-primed human THP1 cells assessed as reduction in IL-1beta level preincubated for 1 hr followed by ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNACHT, LRR and PYD domains-containing protein 3(Homo sapiens (Human))
The University of Queensland

Curated by ChEMBL
LigandPNGBDBM50538406(CHEMBL4640151)
Show SMILES O=C(Nc1c2CCCc2cc2CCCc12)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H20N2O3S/c22-19(21-25(23,24)15-8-2-1-3-9-15)20-18-16-10-4-6-13(16)12-14-7-5-11-17(14)18/h1-3,8-9,12H,4-7,10-11H2,(H2,20,21,22)
Affinity DataIC50: 35nMAssay Description:Inhibition of NLRP3 inflammasome activation in LPS-primed human THP1 cells assessed as reduction in IL-1beta level preincubated for 1 hr followed by ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNACHT, LRR and PYD domains-containing protein 3(Homo sapiens (Human))
The University of Queensland

Curated by ChEMBL
LigandPNGBDBM50547438(CHEMBL4752523)
Show SMILES O=C(Nc1c2CCCc2cc2CCCc12)NS(=O)(=O)\C=C\c1nccs1
Show InChI InChI=1S/C18H19N3O3S2/c22-18(21-26(23,24)10-7-16-19-8-9-25-16)20-17-14-5-1-3-12(14)11-13-4-2-6-15(13)17/h7-11H,1-6H2,(H2,20,21,22)/b10-7+
Affinity DataIC50: 35nMAssay Description:Inhibition of NLRP3 in human THP1 cells assessed as inhibition of IL-1beta productionMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetNACHT, LRR and PYD domains-containing protein 3(Homo sapiens (Human))
The University of Queensland

Curated by ChEMBL
LigandPNGBDBM50538420(CHEMBL4636825 | US11236045, Example 56)
Show SMILES O=C(Nc1c2CCCc2cc2CCCc12)NS(=O)(=NC#N)c1cccnc1
Show InChI InChI=1S/C19H19N5O2S/c20-12-22-27(26,15-6-3-9-21-11-15)24-19(25)23-18-16-7-1-4-13(16)10-14-5-2-8-17(14)18/h3,6,9-11H,1-2,4-5,7-8H2,(H2,22,23,24,25,26)
Affinity DataIC50: 36nMAssay Description:Inhibition of NLRP3 inflammasome activation in LPS-primed human THP1 cells assessed as reduction in IL-1beta level preincubated for 1 hr followed by ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNACHT, LRR and PYD domains-containing protein 3(Homo sapiens (Human))
The University of Queensland

Curated by ChEMBL
LigandPNGBDBM50553944(CHEMBL4780624)
Show SMILES CCOC(=O)[C@@H](Cc1ncccn1)NC(=O)Nc1c2CCCc2cc2CCCc12
Show InChI InChI=1S/C22H26N4O3/c1-2-29-21(27)18(13-19-23-10-5-11-24-19)25-22(28)26-20-16-8-3-6-14(16)12-15-7-4-9-17(15)20/h5,10-12,18H,2-4,6-9,13H2,1H3,(H2,25,26,28)/t18-/m1/s1
Affinity DataIC50: 36nMAssay Description:Inhibition of NLRP3 in human PBMC cells assessed as inhibition of LPS and ATP-induced IL-1beta productionMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetNACHT, LRR and PYD domains-containing protein 3(Mus musculus)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50155926(CHEMBL3183703)
Show SMILES CC(C)(O)c1coc(c1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12
Show InChI InChI=1S/C20H24N2O5S/c1-20(2,24)14-10-17(27-11-14)28(25,26)22-19(23)21-18-15-7-3-5-12(15)9-13-6-4-8-16(13)18/h9-11,24H,3-8H2,1-2H3,(H2,21,22,23)
Affinity DataIC50: 40nMAssay Description:Inhibition of NLRP3 in mouse peritoneal macrophages assessed as inhibition of LPS and ATP-induced IL-1beta production pre-stimulated with LPS for 4.5...More data for this Ligand-Target Pair
TargetNACHT, LRR and PYD domains-containing protein 3(Mus musculus)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50155926(CHEMBL3183703)
Show SMILES CC(C)(O)c1coc(c1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12
Show InChI InChI=1S/C20H24N2O5S/c1-20(2,24)14-10-17(27-11-14)28(25,26)22-19(23)21-18-15-7-3-5-12(15)9-13-6-4-8-16(13)18/h9-11,24H,3-8H2,1-2H3,(H2,21,22,23)
Affinity DataIC50: 40nMAssay Description:Inhibition of NLRP3 in mouse peritoneal macrophages assessed as inhibition of LPS and ATP-induced IL-1beta production pre-stimulated with LPS for 4.5...More data for this Ligand-Target Pair
TargetNACHT, LRR and PYD domains-containing protein 3(Mus musculus)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50505855(CHEMBL4468698)
Show SMILES CCC1=C(C)CN(C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)Nc2c3CCCc3cc3CCCc23)C1=O
Show InChI InChI=1S/C29H34N4O5S/c1-3-23-18(2)17-33(27(23)34)29(36)30-15-14-19-10-12-22(13-11-19)39(37,38)32-28(35)31-26-24-8-4-6-20(24)16-21-7-5-9-25(21)26/h10-13,16H,3-9,14-15,17H2,1-2H3,(H,30,36)(H2,31,32,35)
Affinity DataIC50: 42nMAssay Description:Inhibition of NLRP3 inflammasome activation in LPS-primed mouse bone marrow derived macrophages assessed as reduction in IL-1beta level preincubated ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNACHT, LRR and PYD domains-containing protein 3(Homo sapiens (Human))
The University of Queensland

Curated by ChEMBL
LigandPNGBDBM50547440(CHEMBL4758640)
Show SMILES O=C(Nc1c2CCCc2cc2CCCc12)NS(=O)(=O)\C=C\c1cccs1
Show InChI InChI=1S/C19H20N2O3S2/c22-19(21-26(23,24)11-9-15-6-3-10-25-15)20-18-16-7-1-4-13(16)12-14-5-2-8-17(14)18/h3,6,9-12H,1-2,4-5,7-8H2,(H2,20,21,22)/b11-9+
Affinity DataIC50: 70nMAssay Description:Inhibition of NLRP3 in human THP1 cells assessed as inhibition of IL-1beta productionMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetNACHT, LRR and PYD domains-containing protein 3(Homo sapiens (Human))
The University of Queensland

Curated by ChEMBL
LigandPNGBDBM50505853(CHEMBL4539790)
Show SMILES CC(=O)C1=C(N[B-]([O+]=C1N)(c1ccccc1)c1ccccc1)C(Cl)(Cl)Cl
Show InChI InChI=1S/C18H16BCl3N2O2/c1-12(25)15-16(18(20,21)22)24-19(26-17(15)23,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,24H,23H2,1H3
Affinity DataIC50: 74nMAssay Description:Inhibition of NLRP3 inflammasome activation in LPS-primed human THP1 cells assessed as reduction in IL-1beta level preincubated for 10 mins followed ...More data for this Ligand-Target Pair
TargetNACHT, LRR and PYD domains-containing protein 3(Homo sapiens (Human))
The University of Queensland

Curated by ChEMBL
LigandPNGBDBM50547444(CHEMBL4759516)
Show SMILES Cc1csc(\C=C\S(=O)(=O)NC(=O)Nc2c3CCCc3cc3CCCc23)n1
Show InChI InChI=1S/C19H21N3O3S2/c1-12-11-26-17(20-12)8-9-27(24,25)22-19(23)21-18-15-6-2-4-13(15)10-14-5-3-7-16(14)18/h8-11H,2-7H2,1H3,(H2,21,22,23)/b9-8+
Affinity DataIC50: 76nMAssay Description:Inhibition of NLRP3 in human THP1 cells assessed as inhibition of IL-1beta productionMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetNACHT, LRR and PYD domains-containing protein 3(Homo sapiens (Human))
The University of Queensland

Curated by ChEMBL
LigandPNGBDBM50547452(CHEMBL4791679)
Show SMILES CCS(=O)(=O)Cc1csc(\C=C\S(=O)(=O)NC(=O)Nc2c3CCCc3cc3CCCc23)n1
Show InChI InChI=1S/C21H25N3O5S3/c1-2-31(26,27)13-16-12-30-19(22-16)9-10-32(28,29)24-21(25)23-20-17-7-3-5-14(17)11-15-6-4-8-18(15)20/h9-12H,2-8,13H2,1H3,(H2,23,24,25)/b10-9+
Affinity DataIC50: 79nMAssay Description:Inhibition of NLRP3 in human THP1 cells assessed as inhibition of IL-1beta productionMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetNACHT, LRR and PYD domains-containing protein 3(Homo sapiens (Human))
The University of Queensland

Curated by ChEMBL
LigandPNGBDBM50547450(CHEMBL4745667)
Show SMILES CCSCc1csc(\C=C\S(=O)(=O)NC(=O)Nc2c3CCCc3cc3CCCc23)n1
Show InChI InChI=1S/C21H25N3O3S3/c1-2-28-12-16-13-29-19(22-16)9-10-30(26,27)24-21(25)23-20-17-7-3-5-14(17)11-15-6-4-8-18(15)20/h9-11,13H,2-8,12H2,1H3,(H2,23,24,25)/b10-9+
Affinity DataIC50: 93nMAssay Description:Inhibition of NLRP3 in human THP1 cells assessed as inhibition of IL-1beta productionMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetNACHT, LRR and PYD domains-containing protein 3(Homo sapiens (Human))
The University of Queensland

Curated by ChEMBL
LigandPNGBDBM50547441(CHEMBL4756798)
Show SMILES O=C(Nc1c2CCCc2cc2CCCc12)NS(=O)(=O)\C=C\c1ccsc1
Show InChI InChI=1S/C19H20N2O3S2/c22-19(21-26(23,24)10-8-13-7-9-25-12-13)20-18-16-5-1-3-14(16)11-15-4-2-6-17(15)18/h7-12H,1-6H2,(H2,20,21,22)/b10-8+
Affinity DataIC50: 96nMAssay Description:Inhibition of NLRP3 in human THP1 cells assessed as inhibition of IL-1beta productionMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetNACHT, LRR and PYD domains-containing protein 3(Mus musculus)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50505850(DAPANSUTRILE | Dapansutrile | OLT-1177 | OLT1177)
Show SMILES CS(=O)(=O)CCC#N
Show InChI InChI=1S/C4H7NO2S/c1-8(6,7)4-2-3-5/h2,4H2,1H3
Affinity DataIC50: 100nMAssay Description:Inhibition of NLRP3 in mouse J774A.1 cells infected with FLA-ST assessed as inhibition of LPS- induced IL-1beta production by ELISAMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetNACHT, LRR and PYD domains-containing protein 3(Homo sapiens (Human))
The University of Queensland

Curated by ChEMBL
LigandPNGBDBM50538419(CHEMBL4646271)
Show SMILES O=C(Nc1c2CCCc2cc2CCCc12)NS(=O)(=NC#N)c1ccncc1
Show InChI InChI=1S/C19H19N5O2S/c20-12-22-27(26,15-7-9-21-10-8-15)24-19(25)23-18-16-5-1-3-13(16)11-14-4-2-6-17(14)18/h7-11H,1-6H2,(H2,22,23,24,25,26)
Affinity DataIC50: 110nMAssay Description:Inhibition of NLRP3 inflammasome activation in LPS-primed human THP1 cells assessed as reduction in IL-1beta level preincubated for 1 hr followed by ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNACHT, LRR and PYD domains-containing protein 3(Mus musculus)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50465504(CHEMBL4277889)
Show SMILES CCCCN(CCCC)S(=O)(=O)c1ccc(CCNC(=O)c2cc(Cl)ccc2OC)cc1
Show InChI InChI=1S/C24H33ClN2O4S/c1-4-6-16-27(17-7-5-2)32(29,30)21-11-8-19(9-12-21)14-15-26-24(28)22-18-20(25)10-13-23(22)31-3/h8-13,18H,4-7,14-17H2,1-3H3,(H,26,28)
Affinity DataIC50: 120nMAssay Description:Inhibition of NLRP3 in mouse BMDM assessed as reduction in LPS-stimulated IL-1beta levels pre-incubated with LPS for 4.5 hrs followed by incubation f...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNACHT, LRR and PYD domains-containing protein 3(Homo sapiens (Human))
The University of Queensland

Curated by ChEMBL
LigandPNGBDBM50547446(CHEMBL4756693)
Show SMILES O=C(Nc1c2CCCc2cc2CCCc12)NS(=O)(=O)\C=C\c1cncs1
Show InChI InChI=1S/C18H19N3O3S2/c22-18(21-26(23,24)8-7-14-10-19-11-25-14)20-17-15-5-1-3-12(15)9-13-4-2-6-16(13)17/h7-11H,1-6H2,(H2,20,21,22)/b8-7+
Affinity DataIC50: 126nMAssay Description:Inhibition of NLRP3 in human THP1 cells assessed as inhibition of IL-1beta productionMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetNACHT, LRR and PYD domains-containing protein 3(Homo sapiens (Human))
The University of Queensland

Curated by ChEMBL
LigandPNGBDBM50547448(CHEMBL4742825)
Show SMILES CC(C)(O)c1csc(\C=C\S(=O)(=O)NC(=O)Nc2c3CCCc3cc3CCCc23)n1
Show InChI InChI=1S/C21H25N3O4S2/c1-21(2,26)17-12-29-18(22-17)9-10-30(27,28)24-20(25)23-19-15-7-3-5-13(15)11-14-6-4-8-16(14)19/h9-12,26H,3-8H2,1-2H3,(H2,23,24,25)/b10-9+
Affinity DataIC50: 142nMAssay Description:Inhibition of NLRP3 in human THP1 cells assessed as inhibition of IL-1beta productionMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
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