Found 1717 hits Enz. Inhib. hit(s) with Target = 'NACHT, LRR and PYD domains-containing protein 3' Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
NACHT, LRR and PYD domains-containing protein 3
(Homo sapiens (Human)) | BDBM640486
(US20230399319, Example 2-031)Show SMILES Cc1ccc(cc1Nc1nc(co1)C(=O)NS(=O)(=O)N1CCCOCC1)C(C)(F)F | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 0 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Mus musculus) | BDBM50605051
(CHEMBL5184952)Show SMILES [Na;v0+].[#6]-c1cc(-[#6])cc(-[#7]-[#6](=O)-[#7-]S(=O)(=O)c2cc(co2)C([#6])([#6])[#8])c1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.230 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00149 BindingDB Entry DOI: 10.7270/Q2MP57D8 |
More data for this Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Mus musculus) | BDBM50155926
(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) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 0.390 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00149 BindingDB Entry DOI: 10.7270/Q2MP57D8 |
More data for this Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Homo sapiens (Human)) | CHEMBL5279642
| PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL UniChem
| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Homo sapiens (Human)) | CHEMBL5289544
| PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL UniChem
| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Homo sapiens (Human)) | CHEMBL5279284
| PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL UniChem
| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Mus musculus) | BDBM50505850
(Dapansutrile | OLT-1177 | OLT1177)Show InChI InChI=1S/C4H7NO2S/c1-8(6,7)4-2-3-5/h2,4H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay 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... |
Eur J Med Chem 185: (2020)
Article DOI: 10.1016/j.ejmech.2019.111822 BindingDB Entry DOI: 10.7270/Q2SN0D7D |
More data for this Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Homo sapiens (Human)) | CHEMBL5268317
| PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL UniChem
| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Homo sapiens (Human)) | CHEMBL5288479
| PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL UniChem
| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Mus musculus) | BDBM50505850
(Dapansutrile | OLT-1177 | OLT1177)Show InChI InChI=1S/C4H7NO2S/c1-8(6,7)4-2-3-5/h2,4H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128101 BindingDB Entry DOI: 10.7270/Q2W95F4V |
More data for this Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Homo sapiens (Human)) | CHEMBL5268752
| PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL UniChem
| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Homo sapiens (Human)) | BDBM50155926
(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) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description Inhibition of NLRP3 in human monocyte derived macrophages assessed as reduction in LPS-induced IL-1beta production incubated for 30 mins followed by ... |
Bioorg Med Chem Lett 28: 793-795 (2018)
Article DOI: 10.1016/j.bmcl.2017.12.054 BindingDB Entry DOI: 10.7270/Q26T0Q81 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
NACHT, LRR and PYD domains-containing protein 3
(Homo sapiens (Human)) | BDBM50155926
(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) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description Inhibition of NLRP3 in human monocyte derived macrophages assessed as reduction in LPS-induced IL-1beta production incubated for 30 mins followed by ... |
Bioorg Med Chem Lett 28: 793-795 (2018)
Article DOI: 10.1016/j.bmcl.2017.12.054 BindingDB Entry DOI: 10.7270/Q26T0Q81 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
NACHT, LRR and PYD domains-containing protein 3
(Homo sapiens (Human)) | BDBM50538416
(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) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Cadila Healthcare Ltd.
Curated by ChEMBL
| Assay 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 ... |
ACS Med Chem Lett 11: 414-418 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00433 BindingDB Entry DOI: 10.7270/Q2BR8WP2 |
More data for this Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Homo sapiens (Human)) | BDBM50607509
(CHEMBL5219789)Show SMILES CN[C@@H]1COc2c(cnn2C1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12 |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01250 BindingDB Entry DOI: 10.7270/Q2WD44PZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
NACHT, LRR and PYD domains-containing protein 3
(Homo sapiens (Human)) | BDBM50155926
(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) | PDB
KEGG
UniProtKB/SwissProt
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| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description Inhibition of NLRP3 in human monocyte derived macrophages assessed as reduction in LPS-induced IL-1beta production incubated for 30 mins followed by ... |
Bioorg Med Chem Lett 28: 793-795 (2018)
Article DOI: 10.1016/j.bmcl.2017.12.054 BindingDB Entry DOI: 10.7270/Q26T0Q81 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
NACHT, LRR and PYD domains-containing protein 3
(Homo sapiens (Human)) | BDBM50155926
(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) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description Inhibition of NLRP3 in human monocyte derived macrophages assessed as reduction in LPS-induced IL-1beta production incubated for 30 mins followed by ... |
Bioorg Med Chem Lett 28: 793-795 (2018)
Article DOI: 10.1016/j.bmcl.2017.12.054 BindingDB Entry DOI: 10.7270/Q26T0Q81 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
NACHT, LRR and PYD domains-containing protein 3
(Homo sapiens (Human)) | BDBM50538393
(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) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 6.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Cadila Healthcare Ltd.
Curated by ChEMBL
| Assay 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 ... |
ACS Med Chem Lett 11: 414-418 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00433 BindingDB Entry DOI: 10.7270/Q2BR8WP2 |
More data for this Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Homo sapiens (Human)) | BDBM50155926
(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) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description Inhibition of NLRP3 in human monocyte derived macrophages assessed as reduction in LPS-induced IL-1beta production incubated for 30 mins followed by ... |
Bioorg Med Chem Lett 28: 793-795 (2018)
Article DOI: 10.1016/j.bmcl.2017.12.054 BindingDB Entry DOI: 10.7270/Q26T0Q81 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
NACHT, LRR and PYD domains-containing protein 3
(Mus musculus) | BDBM50155926
(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) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 7.5 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description Inhibition of NLRP3 inflammasome activation in LPS-stimulated mouse BMDM assessed as reduction in NLRP3 inflammasome-induced IL-1beta production prei... |
ACS Med Chem Lett 7: 1034-1038 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00198 BindingDB Entry DOI: 10.7270/Q2HD7XKV |
More data for this Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Mus musculus) | BDBM50155926
(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) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 7.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of NLRP3 inflammasome activation in LPS/nigericin-treated mouse BMDM cells assessed as inhibition of LPS and nigericin-induced IL-1beta pr... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113417 BindingDB Entry DOI: 10.7270/Q2ZW1QP9 |
More data for this Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Mus musculus) | BDBM50155926
(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) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 7.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of NLRP3 in mouse BMDMs |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01924 BindingDB Entry DOI: 10.7270/Q2ZW1QNV |
More data for this Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Mus musculus) | BDBM50155926
(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) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 7.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of NLRP3 inflammasome activation in LPS-primed mouse bone marrow derived macrophages assessed as reduction in IL-1beta level preincubated ... |
Citation and Details
Article DOI: 10.1016/j.bmc.2020.115954 BindingDB Entry DOI: 10.7270/Q2B56PG8 |
More data for this Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Mus musculus) | BDBM50155926
(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) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 7.5 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Manchester
Curated by ChEMBL
| Assay Description Inhibition of NLRP3 in mouse BMDM cells preincubated for 30 mins followed by ATP addition by ELISA analysis |
J Med Chem 59: 1691-710 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01091 BindingDB Entry DOI: 10.7270/Q2416ZZM |
More data for this Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Mus musculus) | BDBM50155926
(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) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 7.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description Inhibition of NLRP3 in LPS/ATP-treated mouse bone marrow derived macrophages assessed as reduction in NLRP3 inflammasome activation by measuring redu... |
Eur J Med Chem 185: (2020)
Article DOI: 10.1016/j.ejmech.2019.111822 BindingDB Entry DOI: 10.7270/Q2SN0D7D |
More data for this Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Homo sapiens (Human)) | BDBM612344
(BDBM612460 | BDBM612461 | N'-(8-fluoro-1,2,3,5,6,7...)Show SMILES Cc1oc(cc1C(C)(C)O)S(N)(=O)=NC(=O)Nc1c2CCCc2c(F)c2CCCc12 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | <8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q28056RB |
More data for this Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Homo sapiens (Human)) | BDBM50155926
(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) | PDB
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TBA
| Assay Description Inhibition of NLRP3 in human THP1 cells assessed as inhibition of IL-1beta production |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127571 BindingDB Entry DOI: 10.7270/Q2SQ9402 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
NACHT, LRR and PYD domains-containing protein 3
(Homo sapiens (Human)) | BDBM50155926
(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) | PDB
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Cadila Healthcare Ltd.
Curated by ChEMBL
| Assay 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 ... |
ACS Med Chem Lett 11: 414-418 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00433 BindingDB Entry DOI: 10.7270/Q2BR8WP2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
NACHT, LRR and PYD domains-containing protein 3
(Homo sapiens (Human)) | BDBM50155926
(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) | PDB
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The University of Queensland
Curated by ChEMBL
| Assay Description Inhibition of NLRP3 in human monocyte derived macrophages assessed as reduction in LPS-induced IL-1beta production by ELISA |
Bioorg Med Chem Lett 28: 793-795 (2018)
Article DOI: 10.1016/j.bmcl.2017.12.054 BindingDB Entry DOI: 10.7270/Q26T0Q81 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
NACHT, LRR and PYD domains-containing protein 3
(Homo sapiens (Human)) | BDBM612344
(BDBM612460 | BDBM612461 | N'-(8-fluoro-1,2,3,5,6,7...)Show SMILES Cc1oc(cc1C(C)(C)O)S(N)(=O)=NC(=O)Nc1c2CCCc2c(F)c2CCCc12 | PDB
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TBA
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Citation and Details
BindingDB Entry DOI: 10.7270/Q28056RB |
More data for this Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Homo sapiens (Human)) | BDBM612316
(BDBM612403 | BDBM612404 | N'-(4-(difluoromethoxy)-...)Show SMILES CC(C)c1cc(OC(F)F)cc(C(C)C)c1NC(=O)N=S(N)(=O)c1sc(cc1F)C(C)(C)O | PDB
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TBA
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Citation and Details
BindingDB Entry DOI: 10.7270/Q28056RB |
More data for this Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Homo sapiens (Human)) | BDBM612381
(BDBM612616 | BDBM612617 | N'-(1,2,3,5,6,7-hexahydr...)Show SMILES CC(C)(O)c1csc(n1)S(N)(=O)=NC(=O)Nc1c2CCCc2cc2CCCc12 | PDB
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TBA
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Citation and Details
BindingDB Entry DOI: 10.7270/Q28056RB |
More data for this Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Homo sapiens (Human)) | BDBM612367
(BDBM612606 | BDBM612607 | N'-((1,2,3,5,6,7-hexahyd...)Show SMILES CC(C)(O)c1cnc(s1)S(N)(=O)=NC(=O)Nc1c2CCCc2cc2CCCc12 | PDB
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TBA
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Citation and Details
BindingDB Entry DOI: 10.7270/Q28056RB |
More data for this Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Homo sapiens (Human)) | BDBM612380
(BDBM612514 | BDBM612515 | N'-(1,2,3,5,6,7-hexahydr...)Show SMILES CC(C)(O)c1coc(c1)S(N)(=O)=NC(=O)Nc1c2CCCc2cc2CCCc12 | PDB
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TBA
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Citation and Details
BindingDB Entry DOI: 10.7270/Q28056RB |
More data for this Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Homo sapiens (Human)) | BDBM612544
(341 | BDBM612651 | BDBM612699 | BDBM612700 | US117...)Show SMILES COCCN(C)Cc1ccc(cc1)S(N)(=O)=NC(=O)Nc1c2CCCc2cc2CCCc12 | PDB
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TBA
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Citation and Details
BindingDB Entry DOI: 10.7270/Q28056RB |
More data for this Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Homo sapiens (Human)) | BDBM612538
(329 | BDBM612639 | BDBM612665 | BDBM612666 | US117...)Show SMILES CC(C)(O)c1ncc(s1)S(N)(=O)=NC(=O)Nc1c2CCc2cc2CCc12 | PDB
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TBA
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Citation and Details
BindingDB Entry DOI: 10.7270/Q28056RB |
More data for this Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Mus musculus) | BDBM50598221
(CHEMBL4288808)Show SMILES CC(C)(C)c1coc(c1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12 | PDB
UniProtKB/SwissProt
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TBA
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Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114468 BindingDB Entry DOI: 10.7270/Q23X8BP0 |
More data for this Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Homo sapiens (Human)) | BDBM50155926
(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) | PDB
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TBA
| Assay Description Inhibition of NLRP3 inflammasome activation in LPS-primed human monocyte derived macrophages assessed as reduction in IL-1beta level preincubated for... |
Citation and Details
Article DOI: 10.1016/j.bmc.2020.115954 BindingDB Entry DOI: 10.7270/Q2B56PG8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
NACHT, LRR and PYD domains-containing protein 3
(Homo sapiens (Human)) | BDBM50155926
(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) | PDB
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TBA
| Assay Description Inhibition of NLRP3 in human monocyte-derived macrophages |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01924 BindingDB Entry DOI: 10.7270/Q2ZW1QNV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
NACHT, LRR and PYD domains-containing protein 3
(Homo sapiens (Human)) | BDBM50155926
(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) | PDB
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Shandong University
Curated by ChEMBL
| Assay Description Inhibition of NLRP3 in LPS/ATP-treated human monocyte derived macrophages assessed as reduction in NLRP3 inflammasome activation by measuring reducti... |
Eur J Med Chem 185: (2020)
Article DOI: 10.1016/j.ejmech.2019.111822 BindingDB Entry DOI: 10.7270/Q2SN0D7D |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
NACHT, LRR and PYD domains-containing protein 3
(Homo sapiens (Human)) | BDBM640719
(US20230399319, Example 2-276)Show SMILES CN(C)S(=O)(=O)C1CCCN(CC1)S(=O)(=O)NC(=O)c1coc(Nc2cc(ccc2C)C(F)(F)F)n1 | PDB
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| | n/a | n/a | 8.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Citation and Details
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More data for this Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Homo sapiens (Human)) | BDBM640592
(US20230399319, Example 2-141)Show SMILES Cc1ccc(cc1Nc1nc(co1)C(=O)NS(=O)(=O)N1CCCC(CC1)C#N)C(F)(F)F | PDB
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| | n/a | n/a | 9.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Citation and Details
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More data for this Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Homo sapiens (Human)) | BDBM640713
(US20230399319, Example 2-270)Show SMILES CCCS(=O)(=O)N1CCCN(CC1)S(=O)(=O)NC(=O)c1coc(Nc2cc(ccc2C)C(F)F)n1 | PDB
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| | n/a | n/a | 9.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Citation and Details
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More data for this Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Homo sapiens (Human)) | BDBM640630
(US20230399319, Example 2-182)Show SMILES CCCCC(=O)N1CCCN(CC1)S(=O)(=O)NC(=O)c1coc(Nc2cc(ccc2C)C(F)(F)F)n1 | PDB
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TBA
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Citation and Details
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More data for this Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Homo sapiens (Human)) | BDBM640554
(US20230399319, Example 2-100)Show SMILES CCCS(=O)(=O)N1CCCN(CC1)S(=O)(=O)NC(=O)c1coc(Nc2cc(ccc2C)C(F)(F)F)n1 | PDB
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TBA
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Citation and Details
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More data for this Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Homo sapiens (Human)) | BDBM640780
(US20230399319, Example 2-342)Show SMILES Cc1ccc(C)c(Nc2nc(co2)C(=O)NS(=O)(=O)N2CCOC(COCC3CCC3)CC2)c1 | PDB
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TBA
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Citation and Details
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More data for this Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Homo sapiens (Human)) | BDBM640774
(US20230399319, Example 2-336)Show SMILES CC(C)c1cc(Nc2nc(co2)C(=O)NS(=O)(=O)N2CCCOCC2)c(C)cc1F | PDB
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TBA
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More data for this Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Homo sapiens (Human)) | BDBM640579
(US20230399319, Example 2-126)Show SMILES CCCCS(=O)(=O)N1CCCN(CC1)S(=O)(=O)NC(=O)c1coc(Nc2cc(ccc2C)C(F)(F)F)n1 | PDB
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TBA
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More data for this Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Homo sapiens (Human)) | BDBM640742
(US20230399319, Example 2-301)Show SMILES CCOCC1CCN(CCO1)S(=O)(=O)NC(=O)c1coc(Nc2cc(ccc2C)C(F)(F)F)n1 | PDB
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TBA
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More data for this Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Homo sapiens (Human)) | BDBM640778
(US20230399319, Example 2-340)Show SMILES CCOCC1CCN(CCO1)S(=O)(=O)NC(=O)c1coc(Nc2cc(C)c(F)cc2C)n1 | PDB
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TBA
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More data for this Ligand-Target Pair | |