Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'NACHT, LRR and PYD domains-containing protein 3' and Ligand = 'BDBM50505851'   

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 (Mus musculus)	BDBM50505851 (CHEMBL4583133) Show SMILES COc1ccc(Cl)cc1C(=O)NCCc1ccc(cc1)S(=O)(=O)NO Show InChI InChI=1S/C16H17ClN2O5S/c1-24-15-7-4-12(17)10-14(15)16(20)18-9-8-11-2-5-13(6-3-11)25(22,23)19-21/h2-7,10,19,21H,8-9H2,1H3,(H,18,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.40E+3	n/a	n/a	n/a	n/a	n/a	n/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)	BDBM50505851 (CHEMBL4583133) Show SMILES COc1ccc(Cl)cc1C(=O)NCCc1ccc(cc1)S(=O)(=O)NO Show InChI InChI=1S/C16H17ClN2O5S/c1-24-15-7-4-12(17)10-14(15)16(20)18-9-8-11-2-5-13(6-3-11)25(22,23)19-21/h2-7,10,19,21H,8-9H2,1H3,(H,18,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.45E+3	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 mouse J774A.1 cells assessed as reduction in IL-1beta level preincubated for 2 hrs followed by LPS-sti...				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