Compile Data Set for Download or QSAR

Found 104 hits Enz. Inhib. hit(s) with all data for entry = 50001144   

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-4 (Homo sapiens (Human))	BDBM50270464 (CHEMBL4076203) 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(nn1)-c1ccc(cc1)-c1ccccc1 |r,c:3| Show InChI InChI=1S/C25H26N4O7/c1-14(30)26-22-19(31)11-21(25(34)35)36-24(22)23(33)20(32)13-29-12-18(27-28-29)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-12,19-20,22-24,31-33H,13H2,1H3,(H,26,30)(H,34,35)/t19-,20+,22+,23+,24+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human N-terminal MBP-fused NEU4 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair
Sialidase-3 (Homo sapiens (Human))	BDBM50270464 (CHEMBL4076203) 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(nn1)-c1ccc(cc1)-c1ccccc1 |r,c:3| Show InChI InChI=1S/C25H26N4O7/c1-14(30)26-22-19(31)11-21(25(34)35)36-24(22)23(33)20(32)13-29-12-18(27-28-29)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-12,19-20,22-24,31-33H,13H2,1H3,(H,26,30)(H,34,35)/t19-,20+,22+,23+,24+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human N-terminal MBP-fused NEU3 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair
Sialidase-3 (Homo sapiens (Human))	BDBM50270441 (CHEMBL4099818) Show SMILES [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)Cn1cc(nn1)-c1ccc(cc1)-c1ccccc1 |r,c:3| Show InChI InChI=1S/C26H29N7O6/c1-14(34)29-22-18(30-26(27)28)11-21(25(37)38)39-24(22)23(36)20(35)13-33-12-19(31-32-33)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-12,18,20,22-24,35-36H,13H2,1H3,(H,29,34)(H,37,38)(H4,27,28,30)/t18-,20+,22+,23+,24+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human N-terminal MBP-fused NEU3 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair
Sialidase-3 (Homo sapiens (Human))	BDBM50330326 ((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...) Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H]-1-[#6@H](-[#6]=[#6](-[#8]-[#6@H]-1-[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8])-[#6](-[#8])=O)\[#7]=[#6](\[#7])-[#7] |r,c:6| 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	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human N-terminal MBP-fused NEU3 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair
Sialidase-3 (Homo sapiens (Human))	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	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human N-terminal MBP-fused NEU3 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair
Sialidase-4 (Homo sapiens (Human))	BDBM50270441 (CHEMBL4099818) Show SMILES [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)Cn1cc(nn1)-c1ccc(cc1)-c1ccccc1 |r,c:3| Show InChI InChI=1S/C26H29N7O6/c1-14(34)29-22-18(30-26(27)28)11-21(25(37)38)39-24(22)23(36)20(35)13-33-12-19(31-32-33)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-12,18,20,22-24,35-36H,13H2,1H3,(H,29,34)(H,37,38)(H4,27,28,30)/t18-,20+,22+,23+,24+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human N-terminal MBP-fused NEU4 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair
Sialidase-2 (Homo sapiens (Human))	BDBM50330326 ((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...) Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H]-1-[#6@H](-[#6]=[#6](-[#8]-[#6@H]-1-[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8])-[#6](-[#8])=O)\[#7]=[#6](\[#7])-[#7] |r,c:6| 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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human N-terminal MBP-fused NEU2 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sialidase-4 (Homo sapiens (Human))	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	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human N-terminal MBP-fused NEU4 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair
Sialidase-2 (Homo sapiens (Human))	BDBM50270441 (CHEMBL4099818) Show SMILES [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)Cn1cc(nn1)-c1ccc(cc1)-c1ccccc1 |r,c:3| Show InChI InChI=1S/C26H29N7O6/c1-14(34)29-22-18(30-26(27)28)11-21(25(37)38)39-24(22)23(36)20(35)13-33-12-19(31-32-33)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-12,18,20,22-24,35-36H,13H2,1H3,(H,29,34)(H,37,38)(H4,27,28,30)/t18-,20+,22+,23+,24+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human N-terminal MBP-fused NEU2 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair
Sialidase-2 (Homo sapiens (Human))	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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human N-terminal MBP-fused NEU2 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sialidase-4 (Homo sapiens (Human))	BDBM50330326 ((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...) Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H]-1-[#6@H](-[#6]=[#6](-[#8]-[#6@H]-1-[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8])-[#6](-[#8])=O)\[#7]=[#6](\[#7])-[#7] |r,c:6| 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	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human N-terminal MBP-fused NEU4 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair
Sialidase-2 (Homo sapiens (Human))	BDBM50270464 (CHEMBL4076203) 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(nn1)-c1ccc(cc1)-c1ccccc1 |r,c:3| Show InChI InChI=1S/C25H26N4O7/c1-14(30)26-22-19(31)11-21(25(34)35)36-24(22)23(33)20(32)13-29-12-18(27-28-29)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-12,19-20,22-24,31-33H,13H2,1H3,(H,26,30)(H,34,35)/t19-,20+,22+,23+,24+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human N-terminal MBP-fused NEU2 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair
Sialidase-4 (Homo sapiens (Human))	BDBM50270464 (CHEMBL4076203) 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(nn1)-c1ccc(cc1)-c1ccccc1 |r,c:3| Show InChI InChI=1S/C25H26N4O7/c1-14(30)26-22-19(31)11-21(25(34)35)36-24(22)23(33)20(32)13-29-12-18(27-28-29)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-12,19-20,22-24,31-33H,13H2,1H3,(H,26,30)(H,34,35)/t19-,20+,22+,23+,24+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human N-terminal MBP-fused NEU4 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair
Sialidase-3 (Homo sapiens (Human))	BDBM50270441 (CHEMBL4099818) Show SMILES [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)Cn1cc(nn1)-c1ccc(cc1)-c1ccccc1 |r,c:3| Show InChI InChI=1S/C26H29N7O6/c1-14(34)29-22-18(30-26(27)28)11-21(25(37)38)39-24(22)23(36)20(35)13-33-12-19(31-32-33)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-12,18,20,22-24,35-36H,13H2,1H3,(H,29,34)(H,37,38)(H4,27,28,30)/t18-,20+,22+,23+,24+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human N-terminal MBP-fused NEU3 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair
Sialidase-3 (Homo sapiens (Human))	BDBM50270442 (CHEMBL4064112) Show SMILES [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)Cn1cc(nn1)-c1ccc(cc1)C(O)=O |r,c:3| Show InChI InChI=1S/C21H25N7O8/c1-9(29)24-16-12(25-21(22)23)6-15(20(34)35)36-18(16)17(31)14(30)8-28-7-13(26-27-28)10-2-4-11(5-3-10)19(32)33/h2-7,12,14,16-18,30-31H,8H2,1H3,(H,24,29)(H,32,33)(H,34,35)(H4,22,23,25)/t12-,14+,16+,17+,18+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human N-terminal MBP-fused NEU3 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair
Sialidase-3 (Homo sapiens (Human))	BDBM50270464 (CHEMBL4076203) 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(nn1)-c1ccc(cc1)-c1ccccc1 |r,c:3| Show InChI InChI=1S/C25H26N4O7/c1-14(30)26-22-19(31)11-21(25(34)35)36-24(22)23(33)20(32)13-29-12-18(27-28-29)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-12,19-20,22-24,31-33H,13H2,1H3,(H,26,30)(H,34,35)/t19-,20+,22+,23+,24+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human N-terminal MBP-fused NEU3 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair
Sialidase-4 (Homo sapiens (Human))	BDBM50270443 (CHEMBL4062382) 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(nn1)-c1ccc(Oc2ccccc2)cc1 |r,c:3| Show InChI InChI=1S/C25H26N4O8/c1-14(30)26-22-19(31)11-21(25(34)35)37-24(22)23(33)20(32)13-29-12-18(27-28-29)15-7-9-17(10-8-15)36-16-5-3-2-4-6-16/h2-12,19-20,22-24,31-33H,13H2,1H3,(H,26,30)(H,34,35)/t19-,20+,22+,23+,24+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	970	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human N-terminal MBP-fused NEU4 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair
Sialidase-3 (Homo sapiens (Human))	BDBM50270443 (CHEMBL4062382) 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(nn1)-c1ccc(Oc2ccccc2)cc1 |r,c:3| Show InChI InChI=1S/C25H26N4O8/c1-14(30)26-22-19(31)11-21(25(34)35)37-24(22)23(33)20(32)13-29-12-18(27-28-29)15-7-9-17(10-8-15)36-16-5-3-2-4-6-16/h2-12,19-20,22-24,31-33H,13H2,1H3,(H,26,30)(H,34,35)/t19-,20+,22+,23+,24+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human N-terminal MBP-fused NEU3 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair
Sialidase-3 (Homo sapiens (Human))	BDBM50270444 (CHEMBL4071732) 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(nn1)-c1ccc(cc1)C(O)=O |r,c:3| Show InChI InChI=1S/C20H22N4O9/c1-9(25)21-16-13(26)6-15(20(31)32)33-18(16)17(28)14(27)8-24-7-12(22-23-24)10-2-4-11(5-3-10)19(29)30/h2-7,13-14,16-18,26-28H,8H2,1H3,(H,21,25)(H,29,30)(H,31,32)/t13-,14+,16+,17+,18+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human N-terminal MBP-fused NEU3 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair
Sialidase-4 (Homo sapiens (Human))	BDBM50270446 (CHEMBL4096864) 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(nn1)-c1ccc(F)cc1 |r,c:3| Show InChI InChI=1S/C19H21FN4O7/c1-9(25)21-16-13(26)6-15(19(29)30)31-18(16)17(28)14(27)8-24-7-12(22-23-24)10-2-4-11(20)5-3-10/h2-7,13-14,16-18,26-28H,8H2,1H3,(H,21,25)(H,29,30)/t13-,14+,16+,17+,18+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human N-terminal MBP-fused NEU4 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair
Sialidase-4 (Homo sapiens (Human))	BDBM50270456 (CHEMBL4060974) 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(nn1)-c1ccc(OC)cc1 |r,c:3| Show InChI InChI=1S/C20H24N4O8/c1-10(25)21-17-14(26)7-16(20(29)30)32-19(17)18(28)15(27)9-24-8-13(22-23-24)11-3-5-12(31-2)6-4-11/h3-8,14-15,17-19,26-28H,9H2,1-2H3,(H,21,25)(H,29,30)/t14-,15+,17+,18+,19+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human N-terminal MBP-fused NEU4 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair
Sialidase-4 (Homo sapiens (Human))	BDBM50270444 (CHEMBL4071732) 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(nn1)-c1ccc(cc1)C(O)=O |r,c:3| Show InChI InChI=1S/C20H22N4O9/c1-9(25)21-16-13(26)6-15(20(31)32)33-18(16)17(28)14(27)8-24-7-12(22-23-24)10-2-4-11(5-3-10)19(29)30/h2-7,13-14,16-18,26-28H,8H2,1H3,(H,21,25)(H,29,30)(H,31,32)/t13-,14+,16+,17+,18+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human N-terminal MBP-fused NEU4 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair
Sialidase-3 (Homo sapiens (Human))	BDBM50270445 (CHEMBL4069646) 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(nn1)-c1ccc(cc1)C(F)(F)F |r,c:3| Show InChI InChI=1S/C20H21F3N4O7/c1-9(28)24-16-13(29)6-15(19(32)33)34-18(16)17(31)14(30)8-27-7-12(25-26-27)10-2-4-11(5-3-10)20(21,22)23/h2-7,13-14,16-18,29-31H,8H2,1H3,(H,24,28)(H,32,33)/t13-,14+,16+,17+,18+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human N-terminal MBP-fused NEU3 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair
Sialidase-4 (Homo sapiens (Human))	BDBM50270464 (CHEMBL4076203) 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(nn1)-c1ccc(cc1)-c1ccccc1 |r,c:3| Show InChI InChI=1S/C25H26N4O7/c1-14(30)26-22-19(31)11-21(25(34)35)36-24(22)23(33)20(32)13-29-12-18(27-28-29)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-12,19-20,22-24,31-33H,13H2,1H3,(H,26,30)(H,34,35)/t19-,20+,22+,23+,24+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human N-terminal MBP-fused NEU4 expressed in Escherichia coli using GM3 as substrate preincubated for 15 mins followed by substrate add...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair
Sialidase-3 (Homo sapiens (Human))	BDBM50270441 (CHEMBL4099818) Show SMILES [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)Cn1cc(nn1)-c1ccc(cc1)-c1ccccc1 |r,c:3| Show InChI InChI=1S/C26H29N7O6/c1-14(34)29-22-18(30-26(27)28)11-21(25(37)38)39-24(22)23(36)20(35)13-33-12-19(31-32-33)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-12,18,20,22-24,35-36H,13H2,1H3,(H,29,34)(H,37,38)(H4,27,28,30)/t18-,20+,22+,23+,24+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human N-terminal MBP-fused NEU3 expressed in Escherichia coli using GM3 as substrate preincubated for 15 mins followed by substrate add...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair
Sialidase-4 (Homo sapiens (Human))	BDBM50270450 (CHEMBL4089157) 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(nn1)-c1ccc(C)cc1 |r,c:3| Show InChI InChI=1S/C20H24N4O7/c1-10-3-5-12(6-4-10)13-8-24(23-22-13)9-15(27)18(28)19-17(21-11(2)25)14(26)7-16(31-19)20(29)30/h3-8,14-15,17-19,26-28H,9H2,1-2H3,(H,21,25)(H,29,30)/t14-,15+,17+,18+,19+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human N-terminal MBP-fused NEU4 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair
Sialidase-3 (Homo sapiens (Human))	BDBM50330326 ((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...) Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H]-1-[#6@H](-[#6]=[#6](-[#8]-[#6@H]-1-[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8])-[#6](-[#8])=O)\[#7]=[#6](\[#7])-[#7] |r,c:6| 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	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human N-terminal MBP-fused NEU3 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair
Sialidase-4 (Homo sapiens (Human))	BDBM50270445 (CHEMBL4069646) 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(nn1)-c1ccc(cc1)C(F)(F)F |r,c:3| Show InChI InChI=1S/C20H21F3N4O7/c1-9(28)24-16-13(29)6-15(19(32)33)34-18(16)17(31)14(30)8-27-7-12(25-26-27)10-2-4-11(5-3-10)20(21,22)23/h2-7,13-14,16-18,29-31H,8H2,1H3,(H,24,28)(H,32,33)/t13-,14+,16+,17+,18+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human N-terminal MBP-fused NEU4 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair
Sialidase-3 (Homo sapiens (Human))	BDBM50270455 (CHEMBL4076383) 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(nn1)-c1ccc(NC(C)=O)cc1 |r,c:3| Show InChI InChI=1S/C21H25N5O8/c1-10(27)22-13-5-3-12(4-6-13)14-8-26(25-24-14)9-16(30)19(31)20-18(23-11(2)28)15(29)7-17(34-20)21(32)33/h3-8,15-16,18-20,29-31H,9H2,1-2H3,(H,22,27)(H,23,28)(H,32,33)/t15-,16+,18+,19+,20+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human N-terminal MBP-fused NEU3 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair
Sialidase-2 (Homo sapiens (Human))	BDBM50270441 (CHEMBL4099818) Show SMILES [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)Cn1cc(nn1)-c1ccc(cc1)-c1ccccc1 |r,c:3| Show InChI InChI=1S/C26H29N7O6/c1-14(34)29-22-18(30-26(27)28)11-21(25(37)38)39-24(22)23(36)20(35)13-33-12-19(31-32-33)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-12,18,20,22-24,35-36H,13H2,1H3,(H,29,34)(H,37,38)(H4,27,28,30)/t18-,20+,22+,23+,24+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human N-terminal MBP-fused NEU2 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair
Sialidase-4 (Homo sapiens (Human))	BDBM50270441 (CHEMBL4099818) Show SMILES [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)Cn1cc(nn1)-c1ccc(cc1)-c1ccccc1 |r,c:3| Show InChI InChI=1S/C26H29N7O6/c1-14(34)29-22-18(30-26(27)28)11-21(25(37)38)39-24(22)23(36)20(35)13-33-12-19(31-32-33)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-12,18,20,22-24,35-36H,13H2,1H3,(H,29,34)(H,37,38)(H4,27,28,30)/t18-,20+,22+,23+,24+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human N-terminal MBP-fused NEU4 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair
Sialidase-3 (Homo sapiens (Human))	BDBM50270456 (CHEMBL4060974) 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(nn1)-c1ccc(OC)cc1 |r,c:3| Show InChI InChI=1S/C20H24N4O8/c1-10(25)21-17-14(26)7-16(20(29)30)32-19(17)18(28)15(27)9-24-8-13(22-23-24)11-3-5-12(31-2)6-4-11/h3-8,14-15,17-19,26-28H,9H2,1-2H3,(H,21,25)(H,29,30)/t14-,15+,17+,18+,19+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human N-terminal MBP-fused NEU3 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair
Sialidase-3 (Homo sapiens (Human))	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	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	7.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human N-terminal MBP-fused NEU3 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair
Sialidase-2 (Homo sapiens (Human))	BDBM50330326 ((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...) Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H]-1-[#6@H](-[#6]=[#6](-[#8]-[#6@H]-1-[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8])-[#6](-[#8])=O)\[#7]=[#6](\[#7])-[#7] |r,c:6| 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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human N-terminal MBP-fused NEU2 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sialidase-3 (Homo sapiens (Human))	BDBM50270450 (CHEMBL4089157) 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(nn1)-c1ccc(C)cc1 |r,c:3| Show InChI InChI=1S/C20H24N4O7/c1-10-3-5-12(6-4-10)13-8-24(23-22-13)9-15(27)18(28)19-17(21-11(2)25)14(26)7-16(31-19)20(29)30/h3-8,14-15,17-19,26-28H,9H2,1-2H3,(H,21,25)(H,29,30)/t14-,15+,17+,18+,19+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human N-terminal MBP-fused NEU3 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair
Sialidase-4 (Homo sapiens (Human))	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	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	8.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human N-terminal MBP-fused NEU4 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair
Sialidase-3 (Homo sapiens (Human))	BDBM50270451 (CHEMBL4084911) 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(nn1)-c1ccc(N)cc1 |r,c:3| Show InChI InChI=1S/C19H23N5O7/c1-9(25)21-16-13(26)6-15(19(29)30)31-18(16)17(28)14(27)8-24-7-12(22-23-24)10-2-4-11(20)5-3-10/h2-7,13-14,16-18,26-28H,8,20H2,1H3,(H,21,25)(H,29,30)/t13-,14+,16+,17+,18+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human N-terminal MBP-fused NEU3 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair
Sialidase-3 (Homo sapiens (Human))	BDBM50270452 (CHEMBL4080360) 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(nn1)-c1ccc(cc1)N(C)C |r,c:3| Show InChI InChI=1S/C21H27N5O7/c1-11(27)22-18-15(28)8-17(21(31)32)33-20(18)19(30)16(29)10-26-9-14(23-24-26)12-4-6-13(7-5-12)25(2)3/h4-9,15-16,18-20,28-30H,10H2,1-3H3,(H,22,27)(H,31,32)/t15-,16+,18+,19+,20+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human N-terminal MBP-fused NEU3 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair
Sialidase-4 (Homo sapiens (Human))	BDBM50270455 (CHEMBL4076383) 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(nn1)-c1ccc(NC(C)=O)cc1 |r,c:3| Show InChI InChI=1S/C21H25N5O8/c1-10(27)22-13-5-3-12(4-6-13)14-8-26(25-24-14)9-16(30)19(31)20-18(23-11(2)28)15(29)7-17(34-20)21(32)33/h3-8,15-16,18-20,29-31H,9H2,1-2H3,(H,22,27)(H,23,28)(H,32,33)/t15-,16+,18+,19+,20+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human N-terminal MBP-fused NEU4 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair
Sialidase-3 (Homo sapiens (Human))	BDBM50270464 (CHEMBL4076203) 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(nn1)-c1ccc(cc1)-c1ccccc1 |r,c:3| Show InChI InChI=1S/C25H26N4O7/c1-14(30)26-22-19(31)11-21(25(34)35)36-24(22)23(33)20(32)13-29-12-18(27-28-29)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-12,19-20,22-24,31-33H,13H2,1H3,(H,26,30)(H,34,35)/t19-,20+,22+,23+,24+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human N-terminal MBP-fused NEU3 expressed in Escherichia coli using GM3 as substrate preincubated for 15 mins followed by substrate add...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair
Sialidase-4 (Homo sapiens (Human))	BDBM50270451 (CHEMBL4084911) 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(nn1)-c1ccc(N)cc1 |r,c:3| Show InChI InChI=1S/C19H23N5O7/c1-9(25)21-16-13(26)6-15(19(29)30)31-18(16)17(28)14(27)8-24-7-12(22-23-24)10-2-4-11(20)5-3-10/h2-7,13-14,16-18,26-28H,8,20H2,1H3,(H,21,25)(H,29,30)/t13-,14+,16+,17+,18+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human N-terminal MBP-fused NEU4 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair
Sialidase-3 (Homo sapiens (Human))	BDBM50270446 (CHEMBL4096864) 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(nn1)-c1ccc(F)cc1 |r,c:3| Show InChI InChI=1S/C19H21FN4O7/c1-9(25)21-16-13(26)6-15(19(29)30)31-18(16)17(28)14(27)8-24-7-12(22-23-24)10-2-4-11(20)5-3-10/h2-7,13-14,16-18,26-28H,8H2,1H3,(H,21,25)(H,29,30)/t13-,14+,16+,17+,18+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human N-terminal MBP-fused NEU3 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair
Sialidase-3 (Homo sapiens (Human))	BDBM50270465 (CHEMBL4081811) Show SMILES [H][C@]1(OC(=C[C@H](N=[N+]=[N-])[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)Cn1cc(nn1)-c1ccc(cc1)C(O)=O |r,c:3| Show InChI InChI=1S/C20H21N7O8/c1-9(28)22-16-12(23-25-21)6-15(20(33)34)35-18(16)17(30)14(29)8-27-7-13(24-26-27)10-2-4-11(5-3-10)19(31)32/h2-7,12,14,16-18,29-30H,8H2,1H3,(H,22,28)(H,31,32)(H,33,34)/t12-,14+,16+,17+,18+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human N-terminal MBP-fused NEU3 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair
Sialidase-4 (Homo sapiens (Human))	BDBM50270442 (CHEMBL4064112) Show SMILES [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)Cn1cc(nn1)-c1ccc(cc1)C(O)=O |r,c:3| Show InChI InChI=1S/C21H25N7O8/c1-9(29)24-16-12(25-21(22)23)6-15(20(34)35)36-18(16)17(31)14(30)8-28-7-13(26-27-28)10-2-4-11(5-3-10)19(32)33/h2-7,12,14,16-18,30-31H,8H2,1H3,(H,24,29)(H,32,33)(H,34,35)(H4,22,23,25)/t12-,14+,16+,17+,18+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human N-terminal MBP-fused NEU4 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair
Sialidase-4 (Homo sapiens (Human))	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	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human N-terminal MBP-fused NEU4 expressed in Escherichia coli using GM3 as substrate preincubated for 15 mins followed by substrate add...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair
Sialidase-4 (Homo sapiens (Human))	BDBM50270452 (CHEMBL4080360) 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(nn1)-c1ccc(cc1)N(C)C |r,c:3| Show InChI InChI=1S/C21H27N5O7/c1-11(27)22-18-15(28)8-17(21(31)32)33-20(18)19(30)16(29)10-26-9-14(23-24-26)12-4-6-13(7-5-12)25(2)3/h4-9,15-16,18-20,28-30H,10H2,1-3H3,(H,22,27)(H,31,32)/t15-,16+,18+,19+,20+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human N-terminal MBP-fused NEU4 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair
Sialidase-2 (Homo sapiens (Human))	BDBM50270464 (CHEMBL4076203) 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(nn1)-c1ccc(cc1)-c1ccccc1 |r,c:3| Show InChI InChI=1S/C25H26N4O7/c1-14(30)26-22-19(31)11-21(25(34)35)36-24(22)23(33)20(32)13-29-12-18(27-28-29)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-12,19-20,22-24,31-33H,13H2,1H3,(H,26,30)(H,34,35)/t19-,20+,22+,23+,24+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human N-terminal MBP-fused NEU2 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair
Sialidase-2 (Homo sapiens (Human))	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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human N-terminal MBP-fused NEU2 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sialidase-2 (Homo sapiens (Human))	BDBM50270442 (CHEMBL4064112) Show SMILES [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)Cn1cc(nn1)-c1ccc(cc1)C(O)=O |r,c:3| Show InChI InChI=1S/C21H25N7O8/c1-9(29)24-16-12(25-21(22)23)6-15(20(34)35)36-18(16)17(31)14(30)8-28-7-13(26-27-28)10-2-4-11(5-3-10)19(32)33/h2-7,12,14,16-18,30-31H,8H2,1H3,(H,24,29)(H,32,33)(H,34,35)(H4,22,23,25)/t12-,14+,16+,17+,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human N-terminal MBP-fused NEU2 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair
Sialidase-4 (Homo sapiens (Human))	BDBM50330326 ((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...) Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H]-1-[#6@H](-[#6]=[#6](-[#8]-[#6@H]-1-[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8])-[#6](-[#8])=O)\[#7]=[#6](\[#7])-[#7] |r,c:6| 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	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human N-terminal MBP-fused NEU4 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair

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