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Compile Data Set for Download or QSAR

Found 4 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


(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)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)
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+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)
BDBM50155930
PNG
(CHEMBL3138690)
Show SMILES CC1(C)[C@@H]2C=C[C@]3(C)[C@H](CC[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@@]345)c3ccoc3)[C@@]2(C)C=CC1=O
Show InChI InChI=1S/C26H30O5/c1-22(2)16-6-11-24(4)17(23(16,3)10-8-18(22)27)7-12-25(5)19(15-9-13-29-14-15)30-21(28)20-26(24,25)31-20/h6,8-11,13-14,16-17,19-20H,7,12H2,1-5H3/t16-,17+,19-,20+,23-,24+,25-,26-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



The University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of NLRP3 in mouse J774 macrophages assessed as reduction in Bacillus anthracis lethal toxin induced cell death


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