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Compile Data Set for Download or QSAR

Found 1717 hits Enz. Inhib. hit(s) with Target = 'NACHT, LRR and PYD domains-containing protein 3'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM640486
PNG
(US20230399319, Example 2-031)
Show SMILES Cc1ccc(cc1Nc1nc(co1)C(=O)NS(=O)(=O)N1CCCOCC1)C(C)(F)F
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n/an/a 0n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Mus musculus)
BDBM50605051
PNG
(CHEMBL5184952)
Show SMILES [Na;v0+].[#6]-c1cc(-[#6])cc(-[#7]-[#6](=O)-[#7-]S(=O)(=O)c2cc(co2)C([#6])([#6])[#8])c1
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n/an/a 0.230n/an/an/an/an/an/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
PNG
(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)
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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
PNG
PDB

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n/an/a<1n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
CHEMBL5289544
PNG
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n/an/a<1n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
CHEMBL5279284
PNG
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n/an/a<1n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Mus musculus)
BDBM50505850
PNG
(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
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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
PNG
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More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
CHEMBL5288479
PNG
PDB

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More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Mus musculus)
BDBM50505850
PNG
(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
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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
PNG
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Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM50155926
PNG
(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)
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n/an/a 5n/an/an/an/an/an/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
3D Structure (crystal)
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM50155926
PNG
(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)
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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 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
3D Structure (crystal)
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM50538416
PNG
(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)
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n/an/a 5.30n/an/an/an/an/an/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
PNG
(CHEMBL5219789)
Show SMILES CN[C@@H]1COc2c(cnn2C1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01250
BindingDB Entry DOI: 10.7270/Q2WD44PZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM50155926
PNG
(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)
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n/an/a 6n/an/an/an/an/an/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
3D Structure (crystal)
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM50155926
PNG
(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)
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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 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
3D Structure (crystal)
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM50538393
PNG
(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)
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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
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM50155926
PNG
(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)
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n/an/a 7n/an/an/an/an/an/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
3D Structure (crystal)
NACHT, LRR and PYD domains-containing protein 3


(Mus musculus)
BDBM50155926
PNG
(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)
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n/an/a 7.5n/an/an/an/an/an/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
PNG
(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)
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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
PNG
(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)
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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
PNG
(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)
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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
PNG
(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)
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n/an/a 7.5n/an/an/an/an/an/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
PNG
(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)
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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
PNG
(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
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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
PNG
(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)
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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
3D Structure (crystal)
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM50155926
PNG
(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)
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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
3D Structure (crystal)
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM50155926
PNG
(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)
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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
3D Structure (crystal)
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM612344
PNG
(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
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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
PNG
(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
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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
PNG
(BDBM612616 | BDBM612617 | N'-(1,2,3,5,6,7-hexahydr...)
Show SMILES CC(C)(O)c1csc(n1)S(N)(=O)=NC(=O)Nc1c2CCCc2cc2CCCc12
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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
PNG
(BDBM612606 | BDBM612607 | N'-((1,2,3,5,6,7-hexahyd...)
Show SMILES CC(C)(O)c1cnc(s1)S(N)(=O)=NC(=O)Nc1c2CCCc2cc2CCCc12
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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
PNG
(BDBM612514 | BDBM612515 | N'-(1,2,3,5,6,7-hexahydr...)
Show SMILES CC(C)(O)c1coc(c1)S(N)(=O)=NC(=O)Nc1c2CCCc2cc2CCCc12
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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
PNG
(341 | BDBM612651 | BDBM612699 | BDBM612700 | US117...)
Show SMILES COCCN(C)Cc1ccc(cc1)S(N)(=O)=NC(=O)Nc1c2CCCc2cc2CCCc12
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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
PNG
(329 | BDBM612639 | BDBM612665 | BDBM612666 | US117...)
Show SMILES CC(C)(O)c1ncc(s1)S(N)(=O)=NC(=O)Nc1c2CCc2cc2CCc12
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BindingDB Entry DOI: 10.7270/Q28056RB
More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Mus musculus)
BDBM50598221
PNG
(CHEMBL4288808)
Show SMILES CC(C)(C)c1coc(c1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12
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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
PNG
(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)
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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
3D Structure (crystal)
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM50155926
PNG
(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)
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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
3D Structure (crystal)
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM50155926
PNG
(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)
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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
3D Structure (crystal)
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM640719
PNG
(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
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Citation and Details
More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM640592
PNG
(US20230399319, Example 2-141)
Show SMILES Cc1ccc(cc1Nc1nc(co1)C(=O)NS(=O)(=O)N1CCCC(CC1)C#N)C(F)(F)F
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More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM640713
PNG
(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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More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM640630
PNG
(US20230399319, Example 2-182)
Show SMILES CCCCC(=O)N1CCCN(CC1)S(=O)(=O)NC(=O)c1coc(Nc2cc(ccc2C)C(F)(F)F)n1
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More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM640554
PNG
(US20230399319, Example 2-100)
Show SMILES CCCS(=O)(=O)N1CCCN(CC1)S(=O)(=O)NC(=O)c1coc(Nc2cc(ccc2C)C(F)(F)F)n1
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More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM640780
PNG
(US20230399319, Example 2-342)
Show SMILES Cc1ccc(C)c(Nc2nc(co2)C(=O)NS(=O)(=O)N2CCOC(COCC3CCC3)CC2)c1
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More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM640774
PNG
(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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More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM640579
PNG
(US20230399319, Example 2-126)
Show SMILES CCCCS(=O)(=O)N1CCCN(CC1)S(=O)(=O)NC(=O)c1coc(Nc2cc(ccc2C)C(F)(F)F)n1
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Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM640742
PNG
(US20230399319, Example 2-301)
Show SMILES CCOCC1CCN(CCO1)S(=O)(=O)NC(=O)c1coc(Nc2cc(ccc2C)C(F)(F)F)n1
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More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM640778
PNG
(US20230399319, Example 2-340)
Show SMILES CCOCC1CCN(CCO1)S(=O)(=O)NC(=O)c1coc(Nc2cc(C)c(F)cc2C)n1
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Ligand-Target Pair
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