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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 227.2
BDBM76297
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Wt: 207.2
BDBM50372524
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Wt: 193.1
BDBM50155928
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Wt: 144.1
BDBM50276373
Wt: 146.1
BDBM50276374
Wt: 188.1
BDBM50276376
Wt: 128.1
BDBM50276380
Wt: 198.2
BDBM50276381
Wt: 170.1
BDBM50276372
Wt: 230.1
BDBM50276377
Wt: 126.1
BDBM50276378
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Wt: 162.1
BDBM50276379
Wt: 133.1
BDBM50505850
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Wt: 236.3
BDBM50505848
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Wt: 227.2
BDBM50597953
Displayed 1 to 15 (of 1254 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 33 hits in this display   
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


(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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n/an/a 1n/an/an/an/an/an/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


(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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n/an/a 1n/an/an/an/an/an/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


(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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n/an/a 100n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of NLRP3 in mouse J774A.1 cells infected with FLA-ST assessed as inhibition of LPS- induced IL-1beta production by ELISA


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)
BDBM50276373
PNG
(CHEMBL4125713)
Show SMILES [H][C@@]12CO[C@@]([H])(O1)C(=O)C(F)=C2 |r,c:11|
Show InChI InChI=1S/C6H5FO3/c7-4-1-3-2-9-6(10-3)5(4)8/h1,3,6H,2H2/t3-,6+/m1/s1
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n/an/a 800n/an/an/an/an/an/a



The Noguchi Institute

Curated by ChEMBL


Assay Description
Inhibition of nigericin-induced NLRP3 inflammasome activation in C57BL/6 mouse bone marrow derived macrophages assessed as reduction in LPS-stimulate...


Bioorg Med Chem 26: 3763-3772 (2018)


Article DOI: 10.1016/j.bmc.2017.11.041
BindingDB Entry DOI: 10.7270/Q25H7JSX
More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Mus musculus)
BDBM50276377
PNG
(CHEMBL4129636)
Show SMILES [H][C@@]12CO[C@@]([H])(O1)C(OC(C)=O)=C(F)C2C(C)=O |r,t:12|
Show InChI InChI=1S/C10H11FO5/c1-4(12)7-6-3-14-10(16-6)9(8(7)11)15-5(2)13/h6-7,10H,3H2,1-2H3/t6-,7?,10-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



The Noguchi Institute

Curated by ChEMBL


Assay Description
Inhibition of nigericin-induced NLRP3 inflammasome activation in C57BL/6 mouse bone marrow derived macrophages assessed as reduction in LPS-stimulate...


Bioorg Med Chem 26: 3763-3772 (2018)


Article DOI: 10.1016/j.bmc.2017.11.041
BindingDB Entry DOI: 10.7270/Q25H7JSX
More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Mus musculus)
BDBM50276378
PNG
(CHEMBL4126941)
Show SMILES [H][C@]12CO[C@]([H])(O1)C(=O)C=C2 |r,c:10|
Show InChI InChI=1S/C6H6O3/c7-5-2-1-4-3-8-6(5)9-4/h1-2,4,6H,3H2/t4-,6+/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



The Noguchi Institute

Curated by ChEMBL


Assay Description
Inhibition of nigericin-induced NLRP3 inflammasome activation in C57BL/6 mouse bone marrow derived macrophages assessed as reduction in LPS-stimulate...


Bioorg Med Chem 26: 3763-3772 (2018)


Article DOI: 10.1016/j.bmc.2017.11.041
BindingDB Entry DOI: 10.7270/Q25H7JSX
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))
BDBM50155928
PNG
(3,4-Methylenedioxyb-Nitrostyrene | CHEMBL596380)
Show SMILES [O-][N+](=O)\C=C\c1ccc2OCOc2c1
Show InChI InChI=1S/C9H7NO4/c11-10(12)4-3-7-1-2-8-9(5-7)14-6-13-8/h1-5H,6H2/b4-3+
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n/an/a 1.60E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of p97 in human HeLa cells assessed as reduction in proteasomal turnover of p97-dependent reporter substrate UbG76V-GFP incubated for 120 ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113148
BindingDB Entry DOI: 10.7270/Q2HT2T24
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))
BDBM50155928
PNG
(3,4-Methylenedioxyb-Nitrostyrene | CHEMBL596380)
Show SMILES [O-][N+](=O)\C=C\c1ccc2OCOc2c1
Show InChI InChI=1S/C9H7NO4/c11-10(12)4-3-7-1-2-8-9(5-7)14-6-13-8/h1-5H,6H2/b4-3+
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CHEMBL
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n/an/a 1.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His6-tagged p97 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ATPase activity measured after 60 mi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113148
BindingDB Entry DOI: 10.7270/Q2HT2T24
More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Mus musculus)
BDBM50155928
PNG
(3,4-Methylenedioxyb-Nitrostyrene | CHEMBL596380)
Show SMILES [O-][N+](=O)\C=C\c1ccc2OCOc2c1
Show InChI InChI=1S/C9H7NO4/c11-10(12)4-3-7-1-2-8-9(5-7)14-6-13-8/h1-5H,6H2/b4-3+
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n/an/a 2.00E+3n/an/an/an/an/an/a



The University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of NLRP3 in LPS stimulated mouse BMDM cells after 15 mins followed by addition of ATP 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)
BDBM50155928
PNG
(3,4-Methylenedioxyb-Nitrostyrene | CHEMBL596380)
Show SMILES [O-][N+](=O)\C=C\c1ccc2OCOc2c1
Show InChI InChI=1S/C9H7NO4/c11-10(12)4-3-7-1-2-8-9(5-7)14-6-13-8/h1-5H,6H2/b4-3+
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n/an/a 2.00E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of NLRP3 inflammasome activation in LPS-primed mouse bone marrow derived macrophages preincubated for 15 mins followed by addition of ATP ...


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


(Mus musculus)
BDBM50155928
PNG
(3,4-Methylenedioxyb-Nitrostyrene | CHEMBL596380)
Show SMILES [O-][N+](=O)\C=C\c1ccc2OCOc2c1
Show InChI InChI=1S/C9H7NO4/c11-10(12)4-3-7-1-2-8-9(5-7)14-6-13-8/h1-5H,6H2/b4-3+
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n/an/a 2.31E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114357
BindingDB Entry DOI: 10.7270/Q2B56PTR
More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Mus musculus)
BDBM50155928
PNG
(3,4-Methylenedioxyb-Nitrostyrene | CHEMBL596380)
Show SMILES [O-][N+](=O)\C=C\c1ccc2OCOc2c1
Show InChI InChI=1S/C9H7NO4/c11-10(12)4-3-7-1-2-8-9(5-7)14-6-13-8/h1-5H,6H2/b4-3+
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CHEMBL
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n/an/a 2.31E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of NLRP3 inflammasome activation in LPS-stimulated mouse bone marrow-derived macrophages assessed as reduction in IL-1beta secretion prein...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01007
BindingDB Entry DOI: 10.7270/Q2PN99FB
More data for this
Ligand-Target Pair
Transcription factor p65


(Homo sapiens (Human))
BDBM50372524
PNG
(BAY-11-7082 | CHEMBL403183)
Show SMILES Cc1ccc(cc1)S(=O)(=O)\C=C\C#N
Show InChI InChI=1S/C10H9NO2S/c1-9-3-5-10(6-4-9)14(12,13)8-2-7-11/h2-6,8H,1H3/b8-2+
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n/an/a 3.00E+3n/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha-stimulated human NF-kappaB p65 RelA subunit nuclear translocation in HUVEC


Bioorg Med Chem Lett 18: 329-35 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.100
BindingDB Entry DOI: 10.7270/Q2348M63
More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Mus musculus)
BDBM50276376
PNG
(CHEMBL4126909)
Show SMILES CC(=O)OC[C@H]1OCC(=O)C(F)=C1 |r,c:11|
Show InChI InChI=1S/C8H9FO4/c1-5(10)12-3-6-2-7(9)8(11)4-13-6/h2,6H,3-4H2,1H3/t6-/m0/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



The Noguchi Institute

Curated by ChEMBL


Assay Description
Inhibition of nigericin-induced NLRP3 inflammasome activation in C57BL/6 mouse bone marrow derived macrophages assessed as reduction in LPS-stimulate...


Bioorg Med Chem 26: 3763-3772 (2018)


Article DOI: 10.1016/j.bmc.2017.11.041
BindingDB Entry DOI: 10.7270/Q25H7JSX
More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Mus musculus)
BDBM50276381
PNG
(CHEMBL4128029)
Show SMILES CCCC(=O)OC[C@H]1OCC(=O)C=C1 |r,c:12|
Show InChI InChI=1S/C10H14O4/c1-2-3-10(12)14-7-9-5-4-8(11)6-13-9/h4-5,9H,2-3,6-7H2,1H3/t9-/m0/s1
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n/an/a 3.60E+3n/an/an/an/an/an/a



The Noguchi Institute

Curated by ChEMBL


Assay Description
Inhibition of nigericin-induced NLRP3 inflammasome activation in C57BL/6 mouse bone marrow derived macrophages assessed as reduction in LPS-stimulate...


Bioorg Med Chem 26: 3763-3772 (2018)


Article DOI: 10.1016/j.bmc.2017.11.041
BindingDB Entry DOI: 10.7270/Q25H7JSX
More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM50276381
PNG
(CHEMBL4128029)
Show SMILES CCCC(=O)OC[C@H]1OCC(=O)C=C1 |r,c:12|
Show InChI InChI=1S/C10H14O4/c1-2-3-10(12)14-7-9-5-4-8(11)6-13-9/h4-5,9H,2-3,6-7H2,1H3/t9-/m0/s1
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n/an/a 3.60E+3n/an/an/an/an/an/a



The Noguchi Institute

Curated by ChEMBL


Assay Description
Inhibition of nigericin-induced NLRP3 inflammasome activation in PMA-differentiated human THP1 cells assessed as reduction in LPS-stimulated IL-1beta...


Bioorg Med Chem 26: 3763-3772 (2018)


Article DOI: 10.1016/j.bmc.2017.11.041
BindingDB Entry DOI: 10.7270/Q25H7JSX
More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM50276377
PNG
(CHEMBL4129636)
Show SMILES [H][C@@]12CO[C@@]([H])(O1)C(OC(C)=O)=C(F)C2C(C)=O |r,t:12|
Show InChI InChI=1S/C10H11FO5/c1-4(12)7-6-3-14-10(16-6)9(8(7)11)15-5(2)13/h6-7,10H,3H2,1-2H3/t6-,7?,10-/m0/s1
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n/an/a 3.70E+3n/an/an/an/an/an/a



The Noguchi Institute

Curated by ChEMBL


Assay Description
Inhibition of nigericin-induced NLRP3 inflammasome activation in PMA-differentiated human THP1 cells assessed as reduction in LPS-stimulated IL-1beta...


Bioorg Med Chem 26: 3763-3772 (2018)


Article DOI: 10.1016/j.bmc.2017.11.041
BindingDB Entry DOI: 10.7270/Q25H7JSX
More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM50276376
PNG
(CHEMBL4126909)
Show SMILES CC(=O)OC[C@H]1OCC(=O)C(F)=C1 |r,c:11|
Show InChI InChI=1S/C8H9FO4/c1-5(10)12-3-6-2-7(9)8(11)4-13-6/h2,6H,3-4H2,1H3/t6-/m0/s1
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n/an/a 3.70E+3n/an/an/an/an/an/a



The Noguchi Institute

Curated by ChEMBL


Assay Description
Inhibition of nigericin-induced NLRP3 inflammasome activation in PMA-differentiated human THP1 cells assessed as reduction in LPS-stimulated IL-1beta...


Bioorg Med Chem 26: 3763-3772 (2018)


Article DOI: 10.1016/j.bmc.2017.11.041
BindingDB Entry DOI: 10.7270/Q25H7JSX
More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM50276372
PNG
(CHEMBL4128176)
Show SMILES CC(=O)OC[C@H]1OCC(=O)C=C1 |r,c:10|
Show InChI InChI=1S/C8H10O4/c1-6(9)11-5-8-3-2-7(10)4-12-8/h2-3,8H,4-5H2,1H3/t8-/m0/s1
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n/an/a 4.30E+3n/an/an/an/an/an/a



The Noguchi Institute

Curated by ChEMBL


Assay Description
Inhibition of nigericin-induced NLRP3 inflammasome activation in PMA-differentiated human THP1 cells assessed as reduction in LPS-stimulated IL-1beta...


Bioorg Med Chem 26: 3763-3772 (2018)


Article DOI: 10.1016/j.bmc.2017.11.041
BindingDB Entry DOI: 10.7270/Q25H7JSX
More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM76297
PNG
(MLS002152970 | N-(3-methoxyphenyl)benzamide | SMR0...)
Show SMILES COc1cccc(NC(=O)c2ccccc2)c1
Show InChI InChI=1S/C14H13NO2/c1-17-13-9-5-8-12(10-13)15-14(16)11-6-3-2-4-7-11/h2-10H,1H3,(H,15,16)
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n/an/a 4.54E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RN369N
More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM50276373
PNG
(CHEMBL4125713)
Show SMILES [H][C@@]12CO[C@@]([H])(O1)C(=O)C(F)=C2 |r,c:11|
Show InChI InChI=1S/C6H5FO3/c7-4-1-3-2-9-6(10-3)5(4)8/h1,3,6H,2H2/t3-,6+/m1/s1
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n/an/a 4.80E+3n/an/an/an/an/an/a



The Noguchi Institute

Curated by ChEMBL


Assay Description
Inhibition of nigericin-induced NLRP3 inflammasome activation in PMA-differentiated human THP1 cells assessed as reduction in LPS-stimulated IL-1beta...


Bioorg Med Chem 26: 3763-3772 (2018)


Article DOI: 10.1016/j.bmc.2017.11.041
BindingDB Entry DOI: 10.7270/Q25H7JSX
More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Mus musculus)
BDBM50276372
PNG
(CHEMBL4128176)
Show SMILES CC(=O)OC[C@H]1OCC(=O)C=C1 |r,c:10|
Show InChI InChI=1S/C8H10O4/c1-6(9)11-5-8-3-2-7(10)4-12-8/h2-3,8H,4-5H2,1H3/t8-/m0/s1
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n/an/a 5.70E+3n/an/an/an/an/an/a



The Noguchi Institute

Curated by ChEMBL


Assay Description
Inhibition of nigericin-induced NLRP3 inflammasome activation in C57BL/6 mouse bone marrow derived macrophages assessed as reduction in LPS-stimulate...


Bioorg Med Chem 26: 3763-3772 (2018)


Article DOI: 10.1016/j.bmc.2017.11.041
BindingDB Entry DOI: 10.7270/Q25H7JSX
More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM50276378
PNG
(CHEMBL4126941)
Show SMILES [H][C@]12CO[C@]([H])(O1)C(=O)C=C2 |r,c:10|
Show InChI InChI=1S/C6H6O3/c7-5-2-1-4-3-8-6(5)9-4/h1-2,4,6H,3H2/t4-,6+/m0/s1
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n/an/a 6.60E+3n/an/an/an/an/an/a



The Noguchi Institute

Curated by ChEMBL


Assay Description
Inhibition of nigericin-induced NLRP3 inflammasome activation in PMA-differentiated human THP1 cells assessed as reduction in LPS-stimulated IL-1beta...


Bioorg Med Chem 26: 3763-3772 (2018)


Article DOI: 10.1016/j.bmc.2017.11.041
BindingDB Entry DOI: 10.7270/Q25H7JSX
More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM50505848
PNG
(CHEMBL4443648)
Show SMILES CCn1c(nc2cc(C)ccc12)-c1ccccc1
Show InChI InChI=1S/C16H16N2/c1-3-18-15-10-9-12(2)11-14(15)17-16(18)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



Shandong University

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 ...


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


(Mus musculus)
BDBM50372524
PNG
(BAY-11-7082 | CHEMBL403183)
Show SMILES Cc1ccc(cc1)S(=O)(=O)\C=C\C#N
Show InChI InChI=1S/C10H9NO2S/c1-9-3-5-10(6-4-9)14(12,13)8-2-7-11/h2-6,8H,1H3/b8-2+
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n/an/a 1.20E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of NLRP3 inflammasome activation in LPS-primed mouse NG5 cells assessed as reduction in IL-1beta level incubated for 15followed by additio...


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))
BDBM76297
PNG
(MLS002152970 | N-(3-methoxyphenyl)benzamide | SMR0...)
Show SMILES COc1cccc(NC(=O)c2ccccc2)c1
Show InChI InChI=1S/C14H13NO2/c1-17-13-9-5-8-12(10-13)15-14(16)11-6-3-2-4-7-11/h2-10H,1H3,(H,15,16)
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n/an/a 1.37E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2WD3Z10
More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Mus musculus)
BDBM50276380
PNG
(CHEMBL4127699)
Show SMILES OC[C@H]1OCC(=O)C=C1 |r,c:7|
Show InChI InChI=1S/C6H8O3/c7-3-6-2-1-5(8)4-9-6/h1-2,6-7H,3-4H2/t6-/m0/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



The Noguchi Institute

Curated by ChEMBL


Assay Description
Inhibition of nigericin-induced NLRP3 inflammasome activation in C57BL/6 mouse bone marrow derived macrophages assessed as reduction in LPS-stimulate...


Bioorg Med Chem 26: 3763-3772 (2018)


Article DOI: 10.1016/j.bmc.2017.11.041
BindingDB Entry DOI: 10.7270/Q25H7JSX
More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM50276380
PNG
(CHEMBL4127699)
Show SMILES OC[C@H]1OCC(=O)C=C1 |r,c:7|
Show InChI InChI=1S/C6H8O3/c7-3-6-2-1-5(8)4-9-6/h1-2,6-7H,3-4H2/t6-/m0/s1
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n/an/a 4.20E+4n/an/an/an/an/an/a



The Noguchi Institute

Curated by ChEMBL


Assay Description
Inhibition of nigericin-induced NLRP3 inflammasome activation in PMA-differentiated human THP1 cells assessed as reduction in LPS-stimulated IL-1beta...


Bioorg Med Chem 26: 3763-3772 (2018)


Article DOI: 10.1016/j.bmc.2017.11.041
BindingDB Entry DOI: 10.7270/Q25H7JSX
More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM50597953
PNG
(AS-114 | CHEMBL211693)
Show SMILES Oc1cccc(NC(=O)Cc2ccccc2)c1
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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114194
BindingDB Entry DOI: 10.7270/Q2NV9P9V
More data for this
Ligand-Target Pair
Sortase family protein


(Staphylococcus aureus)
BDBM50372524
PNG
(BAY-11-7082 | CHEMBL403183)
Show SMILES Cc1ccc(cc1)S(=O)(=O)\C=C\C#N
Show InChI InChI=1S/C10H9NO2S/c1-9-3-5-10(6-4-9)14(12,13)8-2-7-11/h2-6,8H,1H3/b8-2+
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n/an/a 1.29E+5n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128652
BindingDB Entry DOI: 10.7270/Q2736VZ0
More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Mus musculus)
BDBM50276374
PNG
(CHEMBL4126946)
Show SMILES OC[C@H]1OCC(=O)C[C@@H]1O |r|
Show InChI InChI=1S/C6H10O4/c7-2-6-5(9)1-4(8)3-10-6/h5-7,9H,1-3H2/t5-,6+/m0/s1
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n/an/a 1.60E+6n/an/an/an/an/an/a



The Noguchi Institute

Curated by ChEMBL


Assay Description
Inhibition of nigericin-induced NLRP3 inflammasome activation in C57BL/6 mouse bone marrow derived macrophages assessed as reduction in LPS-stimulate...


Bioorg Med Chem 26: 3763-3772 (2018)


Article DOI: 10.1016/j.bmc.2017.11.041
BindingDB Entry DOI: 10.7270/Q25H7JSX
More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM50276374
PNG
(CHEMBL4126946)
Show SMILES OC[C@H]1OCC(=O)C[C@@H]1O |r|
Show InChI InChI=1S/C6H10O4/c7-2-6-5(9)1-4(8)3-10-6/h5-7,9H,1-3H2/t5-,6+/m0/s1
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n/an/a 2.30E+6n/an/an/an/an/an/a



The Noguchi Institute

Curated by ChEMBL


Assay Description
Inhibition of nigericin-induced NLRP3 inflammasome activation in PMA-differentiated human THP1 cells assessed as reduction in LPS-stimulated IL-1beta...


Bioorg Med Chem 26: 3763-3772 (2018)


Article DOI: 10.1016/j.bmc.2017.11.041
BindingDB Entry DOI: 10.7270/Q25H7JSX
More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Mus musculus)
BDBM50276379
PNG
(CHEBI:16715 | CHEMBL1234723)
Show SMILES OC[C@H]1OCC(=O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C6H10O5/c7-1-4-6(10)5(9)3(8)2-11-4/h4-7,9-10H,1-2H2/t4-,5-,6-/m1/s1
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n/an/a 2.90E+7n/an/an/an/an/an/a



The Noguchi Institute

Curated by ChEMBL


Assay Description
Inhibition of nigericin-induced NLRP3 inflammasome activation in C57BL/6 mouse bone marrow derived macrophages assessed as reduction in LPS-stimulate...


Bioorg Med Chem 26: 3763-3772 (2018)


Article DOI: 10.1016/j.bmc.2017.11.041
BindingDB Entry DOI: 10.7270/Q25H7JSX
More data for this
Ligand-Target Pair