Found 307 hits of ic50 data for polymerid = 50007070 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/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
(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
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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
(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
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| 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
(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
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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
(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
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PC sid
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| 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
(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
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MCE
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PC sid
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| 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
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| 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
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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
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MCE
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| 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
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CHEMBL
MCE
PC cid
PC sid
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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) | BDBM50598221
(CHEMBL4288808)Show SMILES CC(C)(C)c1coc(c1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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
(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
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CHEMBL
MCE
PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00523
BindingDB Entry DOI: 10.7270/Q2K35ZNX |
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
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CHEMBL
MCE
PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jnatprod.2c00568
BindingDB Entry DOI: 10.7270/Q2JW8JWV |
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
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CHEMBL
MCE
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PC sid
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| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jnatprod.2c00568
BindingDB Entry DOI: 10.7270/Q2JW8JWV |
More data for this
Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Mus musculus) | BDBM50593017
(CHEMBL5196305)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(Cl)c1Cl)B(O)O |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00523
BindingDB Entry DOI: 10.7270/Q2K35ZNX |
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
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CHEMBL
MCE
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| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay 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... |
J Med Chem 62: 9718-9731 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01155
BindingDB Entry DOI: 10.7270/Q2MP56RB |
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
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CHEMBL
MCE
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PC sid
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| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay 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... |
J Med Chem 62: 9718-9731 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01155
BindingDB Entry DOI: 10.7270/Q2MP56RB |
More data for this
Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Mus musculus) | BDBM50069989
((R)-3-methyl-1-((S)-3-phenyl-2-(pyrazine-2-carboxa...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O |r| Show InChI InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1 | PDB
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PC cid
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PDB
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Patents
Similars
| Article
PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00523
BindingDB Entry DOI: 10.7270/Q2K35ZNX |
More data for this
Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Mus musculus) | BDBM50505855
(CHEMBL4468698)Show SMILES CCC1=C(C)CN(C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)Nc2c3CCCc3cc3CCCc23)C1=O |c:2| 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) | PDB
UniProtKB/SwissProt
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| PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 42 | 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 bone marrow derived macrophages assessed as reduction in IL-1beta level preincubated ... |
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) | BDBM50593025
(CHEMBL5187619)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(Cl)ccc1F)B(O)O |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00523
BindingDB Entry DOI: 10.7270/Q2K35ZNX |
More data for this
Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Mus musculus) | BDBM50593013
(CHEMBL483266)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccn1)B(O)O |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00523
BindingDB Entry DOI: 10.7270/Q2K35ZNX |
More data for this
Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Mus musculus) | BDBM50593023
(CHEMBL5183504)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(F)c1F)B(O)O |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00523
BindingDB Entry DOI: 10.7270/Q2K35ZNX |
More data for this
Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Mus musculus) | BDBM50607509
(CHEMBL5219789)Show SMILES CN[C@@H]1COc2c(cnn2C1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12 |r| | PDB
UniProtKB/SwissProt
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MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 63 | 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 | |
NACHT, LRR and PYD domains-containing protein 3
(Mus musculus) | BDBM50593016
(CHEMBL5195292)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1nc(Cl)ccc1Cl)B(O)O |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00523
BindingDB Entry DOI: 10.7270/Q2K35ZNX |
More data for this
Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Mus musculus) | BDBM50593018
(CHEMBL5171338)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1c(Cl)cccc1Cl)B(O)O |r| | PDB
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Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00523
BindingDB Entry DOI: 10.7270/Q2K35ZNX |
More data for this
Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Mus musculus) | BDBM50593020
(CHEMBL5177370)Show SMILES COc1ccc(Cl)cc1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)B(O)O |r| | PDB
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Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00523
BindingDB Entry DOI: 10.7270/Q2K35ZNX |
More data for this
Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Mus musculus) | BDBM50593011
(CHEMBL5208208)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(Cl)ccc1Cl)B(O)O |r| | PDB
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Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00523
BindingDB Entry DOI: 10.7270/Q2K35ZNX |
More data for this
Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Mus musculus) | BDBM50593009
(CHEMBL5206815)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cc(Cl)ccc1Cl)B(O)O |r| | PDB
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Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00523
BindingDB Entry DOI: 10.7270/Q2K35ZNX |
More data for this
Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Mus musculus) | BDBM50593021
(CHEMBL5181924)Show SMILES COc1ccc(F)cc1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)B(O)O |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00523
BindingDB Entry DOI: 10.7270/Q2K35ZNX |
More data for this
Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Mus musculus) | BDBM50593001
(CHEMBL5188468)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(Cl)ccc1Cl)B(O)O |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00523
BindingDB Entry DOI: 10.7270/Q2K35ZNX |
More data for this
Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Mus musculus) | BDBM50593024
(CHEMBL5174430)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(F)ccc1F)B(O)O |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00523
BindingDB Entry DOI: 10.7270/Q2K35ZNX |
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
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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) | BDBM50607509
(CHEMBL5219789)Show SMILES CN[C@@H]1COc2c(cnn2C1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12 |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01250
BindingDB Entry DOI: 10.7270/Q2WD44PZ |
More data for this
Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Mus musculus) | BDBM50465504
(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) | PDB
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TBA
Curated by ChEMBL
| Assay 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... |
J Med Chem 61: 5412-5423 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00733
BindingDB Entry DOI: 10.7270/Q2ZP48SB |
More data for this
Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Mus musculus) | BDBM50598211
(CHEMBL5173327)Show SMILES CCCOc1ccc(Cl)cc1CN(CCc1ccc(cc1)S(=O)(=O)NCC#C)C(=O)c1ccc(F)cc1 | PDB
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TBA
| |
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
(Mus musculus) | BDBM50598210
(CHEMBL5208422)Show SMILES CCCOc1ccc(Cl)cc1CN(CCc1ccc(cc1)S(=O)(=O)NCC#C)C(=O)c1csc2ccccc12 | PDB
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TBA
| |
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
(Mus musculus) | BDBM50593022
(CHEMBL5186813)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1F)B(O)O |r| | PDB
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| n/a | n/a | 141 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00523
BindingDB Entry DOI: 10.7270/Q2K35ZNX |
More data for this
Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Mus musculus) | BDBM50593019
(CHEMBL5169581)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1Cl)B(O)O |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00523
BindingDB Entry DOI: 10.7270/Q2K35ZNX |
More data for this
Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Mus musculus) | BDBM50598218
(CHEMBL5192289)Show SMILES Fc1ccc(CC(=O)N(CCc2ccc(cc2)S(=O)(=O)NCC#C)Cc2cccc3OCOc23)cc1 | PDB
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TBA
| |
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
(Mus musculus) | BDBM50598205
(CHEMBL5180250)Show SMILES CCCOc1ccc(Cl)cc1CN(CCc1ccc(cc1)S(=O)(=O)CC#C)C(=O)Cc1ccsc1 | PDB
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TBA
| |
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
(Mus musculus) | BDBM50593014
(CHEMBL5180570)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cncc(C)n1)B(O)O |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00523
BindingDB Entry DOI: 10.7270/Q2K35ZNX |
More data for this
Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Mus musculus) | BDBM50398609
(CHEMBL2141296 | IXAZOMIB CITRATE | Ixazomib | MLN2...)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B(O)O Show InChI InChI=1S/C14H19BCl2N2O4/c1-8(2)5-12(15(22)23)19-13(20)7-18-14(21)10-6-9(16)3-4-11(10)17/h3-4,6,8,12,22-23H,5,7H2,1-2H3,(H,18,21)(H,19,20)/t12-/m0/s1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00523
BindingDB Entry DOI: 10.7270/Q2K35ZNX |
More data for this
Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Mus musculus) | BDBM50593006
(CHEMBL5206237)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cc(Cl)ccc1Cl)C(C)C)B(O)O |r| | PDB
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Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00523
BindingDB Entry DOI: 10.7270/Q2K35ZNX |
More data for this
Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Mus musculus) | BDBM50598195
(CHEMBL5194587)Show SMILES Clc1ccc(OCC#C)c(CN(CCc2ccc(cc2)S(=O)(=O)NCC#C)C(=O)Cc2ccsc2)c1 | PDB
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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
(Mus musculus) | BDBM50598209
(CHEMBL5205215)Show SMILES CCCOc1ccc(Cl)cc1CN(CCc1ccc(cc1)S(=O)(=O)NCC#C)C(=O)Cc1csc2ccccc12 | PDB
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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
(Mus musculus) | BDBM50593008
(CHEMBL5207483)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cc(Cl)ccc1Cl)c1ccccc1)B(O)O |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00523
BindingDB Entry DOI: 10.7270/Q2K35ZNX |
More data for this
Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Mus musculus) | BDBM50598208
(CHEMBL5184435)Show SMILES CCCOc1ccc(Cl)cc1CN(CCc1ccc(cc1)S(=O)(=O)NCC#C)C(=O)Cc1ccc(F)cc1 | PDB
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TBA
| |
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
(Mus musculus) | BDBM50598199
(CHEMBL5177480)Show SMILES [O-][N+](=O)c1ccc(Cl)cc1CN(CCc1ccc(cc1)S(=O)(=O)NCC#C)C(=O)Cc1ccsc1 | PDB
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TBA
| |
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
(Mus musculus) | BDBM50530842
(CHEMBL4559751)Show SMILES CCCOc1ccc(Cl)cc1CN(CCc1ccc(cc1)S(=O)(=O)NCC#C)C(=O)Cc1ccsc1 Show InChI InChI=1S/C27H29ClN2O4S2/c1-3-13-29-36(32,33)25-8-5-21(6-9-25)11-14-30(27(31)17-22-12-16-35-20-22)19-23-18-24(28)7-10-26(23)34-15-4-2/h1,5-10,12,16,18,20,29H,4,11,13-15,17,19H2,2H3 | PDB
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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
(Mus musculus) | BDBM50530842
(CHEMBL4559751)Show SMILES CCCOc1ccc(Cl)cc1CN(CCc1ccc(cc1)S(=O)(=O)NCC#C)C(=O)Cc1ccsc1 Show InChI InChI=1S/C27H29ClN2O4S2/c1-3-13-29-36(32,33)25-8-5-21(6-9-25)11-14-30(27(31)17-22-12-16-35-20-22)19-23-18-24(28)7-10-26(23)34-15-4-2/h1,5-10,12,16,18,20,29H,4,11,13-15,17,19H2,2H3 | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of NLRP3 in mouse J774A.1 cells assessed as inhibition of LPS and ATP-induced IL-1beta production pre-stimulated with LPS for 4.5 hrs befo... |
J Med Chem 62: 9718-9731 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01155
BindingDB Entry DOI: 10.7270/Q2MP56RB |
More data for this
Ligand-Target Pair | |
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