Compile Data Set for Download or QSAR

Found 32 hits Enz. Inhib. hit(s) with Target = 'Sialidase A'   

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
Sialidase A (Streptococcus pneumoniae)	BDBM50182491 (CHEBI:69015 | Malabaricone C) Show SMILES Oc1ccc(CCCCCCCCC(=O)c2c(O)cccc2O)cc1O Show InChI InChI=1S/C21H26O5/c22-16-13-12-15(14-20(16)26)8-5-3-1-2-4-6-9-17(23)21-18(24)10-7-11-19(21)25/h7,10-14,22,24-26H,1-6,8-9H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Competitive inhibition of Streptococcus pneumoniae sialidase NanA using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid as substrate after 60 mi...				Bioorg Med Chem Lett 27: 3060-3064 (2017) Article DOI: 10.1016/j.bmcl.2017.05.055 BindingDB Entry DOI: 10.7270/Q2G73H5Z
					More data for this Ligand-Target Pair
Sialidase A (Streptococcus pneumoniae)	BDBM50182486 (MALABARICONE B) Show SMILES Oc1ccc(CCCCCCCCC(=O)c2c(O)cccc2O)cc1 Show InChI InChI=1S/C21H26O4/c22-17-14-12-16(13-15-17)8-5-3-1-2-4-6-9-18(23)21-19(24)10-7-11-20(21)25/h7,10-15,22,24-25H,1-6,8-9H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Competitive inhibition of Streptococcus pneumoniae sialidase NanA using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid as substrate after 60 mi...				Bioorg Med Chem Lett 27: 3060-3064 (2017) Article DOI: 10.1016/j.bmcl.2017.05.055 BindingDB Entry DOI: 10.7270/Q2G73H5Z
					More data for this Ligand-Target Pair
Sialidase A (Streptococcus pneumoniae)	BDBM50303147 ((-)-licarin B | CHEMBL578403) Show SMILES COc1cc(\C=C\C)cc2[C@H](C)[C@H](Oc12)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C20H20O4/c1-4-5-13-8-15-12(2)19(24-20(15)18(9-13)21-3)14-6-7-16-17(10-14)23-11-22-16/h4-10,12,19H,11H2,1-3H3/b5-4+/t12-,19-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Noncompetitive inhibition of Streptococcus pneumoniae sialidase NanA using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid as substrate after 60...				Bioorg Med Chem Lett 27: 3060-3064 (2017) Article DOI: 10.1016/j.bmcl.2017.05.055 BindingDB Entry DOI: 10.7270/Q2G73H5Z
					More data for this Ligand-Target Pair
Sialidase A (Streptococcus pneumoniae)	BDBM4706 ((2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-...) Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |r,c:7| Show InChI InChI=1S/C11H17NO8/c1-4(14)12-8-5(15)2-7(11(18)19)20-10(8)9(17)6(16)3-13/h2,5-6,8-10,13,15-17H,3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,8+,9+,10+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	9.0	n/a
Università degli Studi di Siena					Assay Description Briefly, the reaction mixtures containing the substrates and up to 100 nM sialidase were incubated at 37°C and stopped by the addition of 0.5 M Na2CO...				BMC Biochem 13: 19 (2012) Article DOI: 10.1186/1471-2091-13-19 BindingDB Entry DOI: 10.7270/Q2959GDQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sialidase A (Streptococcus pneumoniae)	BDBM4994 ((3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)c...) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C14H24N2O4/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17/h7,10-13H,4-6,15H2,1-3H3,(H,16,17)(H,18,19)/t11-,12+,13+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.77E+3	n/a	n/a	n/a	n/a	n/a	n/a	9.0	n/a
Università degli Studi di Siena					Assay Description Briefly, the reaction mixtures containing the substrates and up to 100 nM sialidase were incubated at 37°C and stopped by the addition of 0.5 M Na2CO...				BMC Biochem 13: 19 (2012) Article DOI: 10.1186/1471-2091-13-19 BindingDB Entry DOI: 10.7270/Q2959GDQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sialidase A (Streptococcus pneumoniae)	BDBM50242962 (CHEMBL4079519) Show SMILES COc1cc(ccc1O)[C@@H](O)[C@@H](C)Oc1c(OC)cc(\C=C\CO)cc1OC |r| Show InChI InChI=1S/C21H26O7/c1-13(20(24)15-7-8-16(23)17(12-15)25-2)28-21-18(26-3)10-14(6-5-9-22)11-19(21)27-4/h5-8,10-13,20,22-24H,9H2,1-4H3/b6-5+/t13-,20+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Noncompetitive inhibition of Streptococcus pneumoniae sialidase NanA using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid as substrate after 60...				Bioorg Med Chem Lett 27: 3060-3064 (2017) Article DOI: 10.1016/j.bmcl.2017.05.055 BindingDB Entry DOI: 10.7270/Q2G73H5Z
					More data for this Ligand-Target Pair
Sialidase A (Streptococcus pneumoniae)	BDBM50242963 (CHEBI:86562 | Methoxyeugenol) Show SMILES COc1cc(CC=C)cc(OC)c1O Show InChI InChI=1S/C11H14O3/c1-4-5-8-6-9(13-2)11(12)10(7-8)14-3/h4,6-7,12H,1,5H2,2-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Noncompetitive inhibition of Streptococcus pneumoniae sialidase NanA using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid as substrate after 60...				Bioorg Med Chem Lett 27: 3060-3064 (2017) Article DOI: 10.1016/j.bmcl.2017.05.055 BindingDB Entry DOI: 10.7270/Q2G73H5Z
					More data for this Ligand-Target Pair
Sialidase A (Streptococcus pneumoniae)	BDBM50242964 (CHEMBL4072450) Show SMILES COc1c(O)cc(CC=C)cc1O Show InChI InChI=1S/C10H12O3/c1-3-4-7-5-8(11)10(13-2)9(12)6-7/h3,5-6,11-12H,1,4H2,2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Noncompetitive inhibition of Streptococcus pneumoniae sialidase NanA using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid as substrate after 60...				Bioorg Med Chem Lett 27: 3060-3064 (2017) Article DOI: 10.1016/j.bmcl.2017.05.055 BindingDB Entry DOI: 10.7270/Q2G73H5Z
					More data for this Ligand-Target Pair
Sialidase A (Streptococcus pneumoniae)	BDBM50303149 ((-)-licarin A | CHEMBL463526 | Licarin A) Show SMILES COc1cc(\C=C\C)cc2[C@H](C)[C@H](Oc12)c1ccc(O)c(OC)c1 |r| Show InChI InChI=1S/C20H22O4/c1-5-6-13-9-15-12(2)19(24-20(15)18(10-13)23-4)14-7-8-16(21)17(11-14)22-3/h5-12,19,21H,1-4H3/b6-5+/t12-,19-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	9.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Noncompetitive inhibition of Streptococcus pneumoniae sialidase NanA using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid as substrate after 60...				Bioorg Med Chem Lett 27: 3060-3064 (2017) Article DOI: 10.1016/j.bmcl.2017.05.055 BindingDB Entry DOI: 10.7270/Q2G73H5Z
					More data for this Ligand-Target Pair
Sialidase A (Streptococcus pneumoniae)	BDBM50242967 (CHEMBL4085435) Show SMILES COc1cc(ccc1O)[C@@H](O)[C@H](C)Oc1c(OC)cc(CC=C)cc1OC |r| Show InChI InChI=1S/C21H26O6/c1-6-7-14-10-18(25-4)21(19(11-14)26-5)27-13(2)20(23)15-8-9-16(22)17(12-15)24-3/h6,8-13,20,22-23H,1,7H2,2-5H3/t13-,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.51E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Noncompetitive inhibition of Streptococcus pneumoniae sialidase NanA using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid as substrate after 60...				Bioorg Med Chem Lett 27: 3060-3064 (2017) Article DOI: 10.1016/j.bmcl.2017.05.055 BindingDB Entry DOI: 10.7270/Q2G73H5Z
					More data for this Ligand-Target Pair
Sialidase A (Streptococcus pneumoniae)	BDBM50242959 (CHEMBL3601519) Show SMILES COc1cc(ccc1O)[C@H]1O[C@H]([C@@H](C)[C@@H]1C)c1ccc(O)c(OC)c1 |r| Show InChI InChI=1S/C20H24O5/c1-11-12(2)20(14-6-8-16(22)18(10-14)24-4)25-19(11)13-5-7-15(21)17(9-13)23-3/h5-12,19-22H,1-4H3/t11-,12-,19-,20+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	2.19E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Noncompetitive inhibition of Streptococcus pneumoniae sialidase NanA using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid as substrate after 60...				Bioorg Med Chem Lett 27: 3060-3064 (2017) Article DOI: 10.1016/j.bmcl.2017.05.055 BindingDB Entry DOI: 10.7270/Q2G73H5Z
					More data for this Ligand-Target Pair
Sialidase A (Streptococcus pneumoniae)	BDBM50242961 (CHEMBL4091275) Show SMILES COc1cc(cc2OCOc12)[C@H]1Oc2c(cc(\C=C\C)cc2OC)[C@@H]1C |r| Show InChI InChI=1S/C21H22O5/c1-5-6-13-7-15-12(2)19(26-20(15)16(8-13)22-3)14-9-17(23-4)21-18(10-14)24-11-25-21/h5-10,12,19H,11H2,1-4H3/b6-5+/t12-,19-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.75E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Noncompetitive inhibition of Streptococcus pneumoniae sialidase NanA using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid as substrate after 60...				Bioorg Med Chem Lett 27: 3060-3064 (2017) Article DOI: 10.1016/j.bmcl.2017.05.055 BindingDB Entry DOI: 10.7270/Q2G73H5Z
					More data for this Ligand-Target Pair
Sialidase A (Streptococcus pneumoniae)	BDBM4934 ((2R,3R,4S)-4-carbamimidamido-3-acetamido-2-[(1R,2R...) Show SMILES [H][C@]1([#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8] |r,c:3| Show InChI InChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,8+,9+,10+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	7.20E+5	n/a	n/a	n/a	n/a	n/a	n/a	9.0	n/a
Università degli Studi di Siena					Assay Description Briefly, the reaction mixtures containing the substrates and up to 100 nM sialidase were incubated at 37°C and stopped by the addition of 0.5 M Na2CO...				BMC Biochem 13: 19 (2012) Article DOI: 10.1186/1471-2091-13-19 BindingDB Entry DOI: 10.7270/Q2959GDQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sialidase A (Streptococcus pneumoniae)	BDBM50182491 (CHEBI:69015 | Malabaricone C) Show SMILES Oc1ccc(CCCCCCCCC(=O)c2c(O)cccc2O)cc1O Show InChI InChI=1S/C21H26O5/c22-16-13-12-15(14-20(16)26)8-5-3-1-2-4-6-9-17(23)21-18(24)10-7-11-19(21)25/h7,10-14,22,24-26H,1-6,8-9H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae sialidase NanA using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid as substrate after 60 mins by FRET a...				Bioorg Med Chem Lett 27: 3060-3064 (2017) Article DOI: 10.1016/j.bmcl.2017.05.055 BindingDB Entry DOI: 10.7270/Q2G73H5Z
					More data for this Ligand-Target Pair
Sialidase A (Streptococcus pneumoniae)	BDBM50182486 (MALABARICONE B) Show SMILES Oc1ccc(CCCCCCCCC(=O)c2c(O)cccc2O)cc1 Show InChI InChI=1S/C21H26O4/c22-17-14-12-16(13-15-17)8-5-3-1-2-4-6-9-18(23)21-19(24)10-7-11-20(21)25/h7,10-15,22,24-25H,1-6,8-9H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae sialidase NanA using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid as substrate after 60 mins by FRET a...				Bioorg Med Chem Lett 27: 3060-3064 (2017) Article DOI: 10.1016/j.bmcl.2017.05.055 BindingDB Entry DOI: 10.7270/Q2G73H5Z
					More data for this Ligand-Target Pair
Sialidase A (Streptococcus pneumoniae)	BDBM50303147 ((-)-licarin B | CHEMBL578403) Show SMILES COc1cc(\C=C\C)cc2[C@H](C)[C@H](Oc12)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C20H20O4/c1-4-5-13-8-15-12(2)19(24-20(15)18(9-13)21-3)14-6-7-16-17(10-14)23-11-22-16/h4-10,12,19H,11H2,1-3H3/b5-4+/t12-,19-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae sialidase NanA using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid as substrate after 60 mins by FRET a...				Bioorg Med Chem Lett 27: 3060-3064 (2017) Article DOI: 10.1016/j.bmcl.2017.05.055 BindingDB Entry DOI: 10.7270/Q2G73H5Z
					More data for this Ligand-Target Pair
Sialidase A (Streptococcus pneumoniae)	BDBM50242962 (CHEMBL4079519) Show SMILES COc1cc(ccc1O)[C@@H](O)[C@@H](C)Oc1c(OC)cc(\C=C\CO)cc1OC |r| Show InChI InChI=1S/C21H26O7/c1-13(20(24)15-7-8-16(23)17(12-15)25-2)28-21-18(26-3)10-14(6-5-9-22)11-19(21)27-4/h5-8,10-13,20,22-24H,9H2,1-4H3/b6-5+/t13-,20+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae sialidase NanA using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid as substrate after 60 mins by FRET a...				Bioorg Med Chem Lett 27: 3060-3064 (2017) Article DOI: 10.1016/j.bmcl.2017.05.055 BindingDB Entry DOI: 10.7270/Q2G73H5Z
					More data for this Ligand-Target Pair
Sialidase A (Streptococcus pneumoniae)	BDBM50242964 (CHEMBL4072450) Show SMILES COc1c(O)cc(CC=C)cc1O Show InChI InChI=1S/C10H12O3/c1-3-4-7-5-8(11)10(13-2)9(12)6-7/h3,5-6,11-12H,1,4H2,2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae sialidase NanA using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid as substrate after 60 mins by FRET a...				Bioorg Med Chem Lett 27: 3060-3064 (2017) Article DOI: 10.1016/j.bmcl.2017.05.055 BindingDB Entry DOI: 10.7270/Q2G73H5Z
					More data for this Ligand-Target Pair
Sialidase A (Streptococcus pneumoniae)	BDBM4706 ((2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-...) Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |r,c:7| Show InChI InChI=1S/C11H17NO8/c1-4(14)12-8-5(15)2-7(11(18)19)20-10(8)9(17)6(16)3-13/h2,5-6,8-10,13,15-17H,3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,8+,9+,10+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae sialidase NanA using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid as substrate after 60 mins by FRET a...				Bioorg Med Chem Lett 27: 3060-3064 (2017) Article DOI: 10.1016/j.bmcl.2017.05.055 BindingDB Entry DOI: 10.7270/Q2G73H5Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sialidase A (Streptococcus pneumoniae)	BDBM50242963 (CHEBI:86562 | Methoxyeugenol) Show SMILES COc1cc(CC=C)cc(OC)c1O Show InChI InChI=1S/C11H14O3/c1-4-5-8-6-9(13-2)11(12)10(7-8)14-3/h4,6-7,12H,1,5H2,2-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae sialidase NanA using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid as substrate after 60 mins by FRET a...				Bioorg Med Chem Lett 27: 3060-3064 (2017) Article DOI: 10.1016/j.bmcl.2017.05.055 BindingDB Entry DOI: 10.7270/Q2G73H5Z
					More data for this Ligand-Target Pair
Sialidase A (Streptococcus pneumoniae)	BDBM50303149 ((-)-licarin A | CHEMBL463526 | Licarin A) Show SMILES COc1cc(\C=C\C)cc2[C@H](C)[C@H](Oc12)c1ccc(O)c(OC)c1 |r| Show InChI InChI=1S/C20H22O4/c1-5-6-13-9-15-12(2)19(24-20(15)18(10-13)23-4)14-7-8-16(21)17(11-14)22-3/h5-12,19,21H,1-4H3/b6-5+/t12-,19-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae sialidase NanA using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid as substrate after 60 mins by FRET a...				Bioorg Med Chem Lett 27: 3060-3064 (2017) Article DOI: 10.1016/j.bmcl.2017.05.055 BindingDB Entry DOI: 10.7270/Q2G73H5Z
					More data for this Ligand-Target Pair
Sialidase A (Streptococcus pneumoniae)	BDBM4706 ((2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-...) Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |r,c:7| Show InChI InChI=1S/C11H17NO8/c1-4(14)12-8-5(15)2-7(11(18)19)20-10(8)9(17)6(16)3-13/h2,5-6,8-10,13,15-17H,3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,8+,9+,10+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California-Davis Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae NanA using Neu5Acalpha2-3GalbetapNP as substrate after 30 mins by colorimetric assay				Bioorg Med Chem 26: 5751-5757 (2018) Article DOI: 10.1016/j.bmc.2018.10.028 BindingDB Entry DOI: 10.7270/Q2BK1G2N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sialidase A (Streptococcus pneumoniae)	BDBM50242967 (CHEMBL4085435) Show SMILES COc1cc(ccc1O)[C@@H](O)[C@H](C)Oc1c(OC)cc(CC=C)cc1OC |r| Show InChI InChI=1S/C21H26O6/c1-6-7-14-10-18(25-4)21(19(11-14)26-5)27-13(2)20(23)15-8-9-16(22)17(12-15)24-3/h6,8-13,20,22-23H,1,7H2,2-5H3/t13-,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.56E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae sialidase NanA using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid as substrate after 60 mins by FRET a...				Bioorg Med Chem Lett 27: 3060-3064 (2017) Article DOI: 10.1016/j.bmcl.2017.05.055 BindingDB Entry DOI: 10.7270/Q2G73H5Z
					More data for this Ligand-Target Pair
Sialidase A (Streptococcus pneumoniae)	BDBM50242959 (CHEMBL3601519) Show SMILES COc1cc(ccc1O)[C@H]1O[C@H]([C@@H](C)[C@@H]1C)c1ccc(O)c(OC)c1 |r| Show InChI InChI=1S/C20H24O5/c1-11-12(2)20(14-6-8-16(22)18(10-14)24-4)25-19(11)13-5-7-15(21)17(9-13)23-3/h5-12,19-22H,1-4H3/t11-,12-,19-,20+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.72E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae sialidase NanA using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid as substrate after 60 mins by FRET a...				Bioorg Med Chem Lett 27: 3060-3064 (2017) Article DOI: 10.1016/j.bmcl.2017.05.055 BindingDB Entry DOI: 10.7270/Q2G73H5Z
					More data for this Ligand-Target Pair
Sialidase A (Streptococcus pneumoniae)	BDBM50242961 (CHEMBL4091275) Show SMILES COc1cc(cc2OCOc12)[C@H]1Oc2c(cc(\C=C\C)cc2OC)[C@@H]1C |r| Show InChI InChI=1S/C21H22O5/c1-5-6-13-7-15-12(2)19(26-20(15)16(8-13)22-3)14-9-17(23-4)21-18(10-14)24-11-25-21/h5-10,12,19H,11H2,1-4H3/b6-5+/t12-,19-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.42E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae sialidase NanA using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid as substrate after 60 mins by FRET a...				Bioorg Med Chem Lett 27: 3060-3064 (2017) Article DOI: 10.1016/j.bmcl.2017.05.055 BindingDB Entry DOI: 10.7270/Q2G73H5Z
					More data for this Ligand-Target Pair
Sialidase A (Streptococcus pneumoniae)	BDBM50331692 ((2R,3R,4S)-3-acetamido-2-((1R,2R)-3-azido-1,2-dihy...) Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)CN=[N+]=[N-])C(O)=O |r,c:7| Show InChI InChI=1S/C11H16N4O7/c1-4(16)14-8-5(17)2-7(11(20)21)22-10(8)9(19)6(18)3-13-15-12/h2,5-6,8-10,17-19H,3H2,1H3,(H,14,16)(H,20,21)/t5-,6+,8+,9+,10+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.43E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California-Davis Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae NanA using Neu5Acalpha2-3GalbetapNP as substrate after 30 mins by colorimetric assay				Bioorg Med Chem 26: 5751-5757 (2018) Article DOI: 10.1016/j.bmc.2018.10.028 BindingDB Entry DOI: 10.7270/Q2BK1G2N
					More data for this Ligand-Target Pair
Sialidase A (Streptococcus pneumoniae)	BDBM50466472 (CHEMBL4289476) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)Cn1cc(C[C@H](N)C(=O)N[C@H](CCC(O)=O)C(N)=O)nn1 |r,c:3| Show InChI InChI=1S/C21H31N7O11/c1-8(29)24-16-12(30)5-14(21(37)38)39-18(16)17(34)13(31)7-28-6-9(26-27-28)4-10(22)20(36)25-11(19(23)35)2-3-15(32)33/h5-6,10-13,16-18,30-31,34H,2-4,7,22H2,1H3,(H2,23,35)(H,24,29)(H,25,36)(H,32,33)(H,37,38)/t10-,11+,12-,13+,16+,17+,18+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.56E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California-Davis Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae NanA using Neu5Acalpha2-3GalbetapNP as substrate after 30 mins by colorimetric assay				Bioorg Med Chem 26: 5751-5757 (2018) Article DOI: 10.1016/j.bmc.2018.10.028 BindingDB Entry DOI: 10.7270/Q2BK1G2N
					More data for this Ligand-Target Pair
Sialidase A (Streptococcus pneumoniae)	BDBM50466473 (CHEMBL4278803) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)Cn1cc(C[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(N)=O)nn1 |r,c:3| Show InChI InChI=1S/C32H50N10O15/c1-14(43)36-25-20(44)11-22(32(55)56)57-27(25)26(50)21(45)13-42-12-15(40-41-42)10-19(39-29(52)16(34)5-7-23(46)47)31(54)38-18(4-2-3-9-33)30(53)37-17(28(35)51)6-8-24(48)49/h11-12,16-21,25-27,44-45,50H,2-10,13,33-34H2,1H3,(H2,35,51)(H,36,43)(H,37,53)(H,38,54)(H,39,52)(H,46,47)(H,48,49)(H,55,56)/t16-,17-,18-,19-,20-,21+,25+,26+,27+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of California-Davis Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae NanA using Neu5Acalpha2-3GalbetapNP as substrate after 30 mins by colorimetric assay				Bioorg Med Chem 26: 5751-5757 (2018) Article DOI: 10.1016/j.bmc.2018.10.028 BindingDB Entry DOI: 10.7270/Q2BK1G2N
					More data for this Ligand-Target Pair
Sialidase A (Streptococcus pneumoniae)	BDBM50466474 (CHEMBL4282280) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)Cn1cc(C[C@H](N)C(O)=O)nn1 |r,c:3| Show InChI InChI=1S/C16H23N5O9/c1-6(22)18-12-9(23)3-11(16(28)29)30-14(12)13(25)10(24)5-21-4-7(19-20-21)2-8(17)15(26)27/h3-4,8-10,12-14,23-25H,2,5,17H2,1H3,(H,18,22)(H,26,27)(H,28,29)/t8-,9-,10+,12+,13+,14+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of California-Davis Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae NanA using Neu5Acalpha2-3GalbetapNP as substrate after 30 mins by colorimetric assay				Bioorg Med Chem 26: 5751-5757 (2018) Article DOI: 10.1016/j.bmc.2018.10.028 BindingDB Entry DOI: 10.7270/Q2BK1G2N
					More data for this Ligand-Target Pair
Sialidase A (Streptococcus pneumoniae)	BDBM50242966 (CHEBI:68234 | ELEMICIN | Myristicin) Show SMILES COc1cc(CC=C)cc2OCOc12 Show InChI InChI=1S/C11H12O3/c1-3-4-8-5-9(12-2)11-10(6-8)13-7-14-11/h3,5-6H,1,4,7H2,2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.97E+5	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae sialidase NanA using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid as substrate after 60 mins by FRET a...				Bioorg Med Chem Lett 27: 3060-3064 (2017) Article DOI: 10.1016/j.bmcl.2017.05.055 BindingDB Entry DOI: 10.7270/Q2G73H5Z
					More data for this Ligand-Target Pair
Sialidase A (Streptococcus pneumoniae)	BDBM50242968 (CHEMBL4097551) Show SMILES COc1ccc(cc1OC)[C@@H](OC(C)=O)[C@@H](C)Oc1c(OC)cc(CC=C)cc1OC |r| Show InChI InChI=1S/C24H30O7/c1-8-9-17-12-21(28-6)24(22(13-17)29-7)30-15(2)23(31-16(3)25)18-10-11-19(26-4)20(14-18)27-5/h8,10-15,23H,1,9H2,2-7H3/t15-,23+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.95E+5	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae sialidase NanA using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid as substrate after 60 mins by FRET a...				Bioorg Med Chem Lett 27: 3060-3064 (2017) Article DOI: 10.1016/j.bmcl.2017.05.055 BindingDB Entry DOI: 10.7270/Q2G73H5Z
					More data for this Ligand-Target Pair
Sialidase A (Streptococcus pneumoniae)	BDBM50467188 (CHEMBL4295254) Show SMILES OP(O)(=O)C(Nc1cccc2ccccc12)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C17H15N2O5P/c20-19(21)14-10-8-13(9-11-14)17(25(22,23)24)18-16-7-3-5-12-4-1-2-6-15(12)16/h1-11,17-18H,(H2,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.41E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae neuraminidase A using MuNANA as substrate pretreated for 10 mins followed by substrate addition by fluorescenc...				Eur J Med Chem 158: 25-33 (2018) Article DOI: 10.1016/j.ejmech.2018.08.089 BindingDB Entry DOI: 10.7270/Q2J105TR
					More data for this Ligand-Target Pair