Compile Data Set for Download or QSAR

Found 6 hits with Last Name = 'kaeslin' and Initial = 'g'   

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)	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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase 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
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 (Homo sapiens (Human))	BDBM50199870 (CHEMBL3904593) Show SMILES CC(C)(O)c1coc(c1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCC(O)c12 Show InChI InChI=1S/C20H24N2O6S/c1-20(2,25)13-9-16(28-10-13)29(26,27)22-19(24)21-18-14-5-3-4-11(14)8-12-6-7-15(23)17(12)18/h8-10,15,23,25H,3-7H2,1-2H3,(H2,21,22,24)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	232	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 in LPS-stimulated human monocyte derived macrophages assessed as reduction in NLRP3 inflammasome-induced IL-1beta pr...				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 (Homo sapiens (Human))	BDBM50199858 (CHEMBL3956814) Show SMILES CC(C)(O)c1coc(c1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2[C@H](O)CCc12 |r| Show InChI InChI=1S/C20H24N2O6S/c1-20(2,25)12-9-17(28-10-12)29(26,27)22-19(24)21-18-13-5-3-4-11(13)8-15-14(18)6-7-16(15)23/h8-10,16,23,25H,3-7H2,1-2H3,(H2,21,22,24)/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.24E+3	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 in LPS-stimulated human monocyte derived macrophages assessed as reduction in NLRP3 inflammasome-induced IL-1beta pr...				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 (Homo sapiens (Human))	BDBM50199871 (CHEMBL3920126) Show SMILES CC(C)(O)c1coc(c1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CC(O)Cc12 Show InChI InChI=1S/C20H24N2O6S/c1-20(2,25)13-8-17(28-10-13)29(26,27)22-19(24)21-18-15-5-3-4-11(15)6-12-7-14(23)9-16(12)18/h6,8,10,14,23,25H,3-5,7,9H2,1-2H3,(H2,21,22,24)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.83E+3	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 in LPS-stimulated human monocyte derived macrophages assessed as reduction in NLRP3 inflammasome-induced IL-1beta pr...				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 (Homo sapiens (Human))	BDBM50199869 (CHEMBL3929254) Show SMILES CC(C)(O)c1coc(c1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2C(O)CCc12 Show InChI InChI=1S/C20H24N2O6S/c1-20(2,25)12-9-17(28-10-12)29(26,27)22-19(24)21-18-13-5-3-4-11(13)8-15-14(18)6-7-16(15)23/h8-10,16,23,25H,3-7H2,1-2H3,(H2,21,22,24)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.97E+3	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 in LPS-stimulated human monocyte derived macrophages assessed as reduction in NLRP3 inflammasome-induced IL-1beta pr...				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 (Homo sapiens (Human))	BDBM50199868 (CHEMBL3906283) Show SMILES CC(C)(O)c1coc(c1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2[C@@H](O)CCc12 |r| Show InChI InChI=1S/C20H24N2O6S/c1-20(2,25)12-9-17(28-10-12)29(26,27)22-19(24)21-18-13-5-3-4-11(13)8-15-14(18)6-7-16(15)23/h8-10,16,23,25H,3-7H2,1-2H3,(H2,21,22,24)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.35E+3	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 in LPS-stimulated human monocyte derived macrophages assessed as reduction in NLRP3 inflammasome-induced IL-1beta pr...				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