Compile Data Set for Download or QSAR

Found 193 hits Enz. Inhib. hit(s) with all data for entry = 50003030   

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-1 (Homo sapiens (Human))	BDBM50465984 (CHEMBL4278858) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(=O)Cn1cc(nn1)-c1ccc(N)cc1)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C19H23N5O8/c20-10-3-1-9(2-4-10)11-6-24(23-22-11)7-15(28)21-16-12(26)5-14(19(30)31)32-18(16)17(29)13(27)8-25/h1-6,12-13,16-18,25-27,29H,7-8,20H2,(H,21,28)(H,30,31)/t12-,13+,16+,17+,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Competitive inhibition of human His6-tagged NEU1 expressed in HEK293 cells using 4MU-NANA as substrate preincubated with substrate for 15 mins and me...				J Med Chem 61: 11261-11279 (2018) Article DOI: 10.1021/acs.jmedchem.8b01411 BindingDB Entry DOI: 10.7270/Q2GF0X5V
					More data for this Ligand-Target Pair
Sialidase-1 (Homo sapiens (Human))	BDBM50465968 (CHEMBL4291908) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(=O)CCCCC)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C15H25NO8/c1-2-3-4-5-11(20)16-12-8(18)6-10(15(22)23)24-14(12)13(21)9(19)7-17/h6,8-9,12-14,17-19,21H,2-5,7H2,1H3,(H,16,20)(H,22,23)/t8-,9+,12+,13+,14+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Competitive inhibition of human His6-tagged NEU1 expressed in HEK293 cells using 4MU-NANA as substrate preincubated with substrate for 15 mins and me...				J Med Chem 61: 11261-11279 (2018) Article DOI: 10.1021/acs.jmedchem.8b01411 BindingDB Entry DOI: 10.7270/Q2GF0X5V
					More data for this Ligand-Target Pair
Sialidase-1 (Homo sapiens (Human))	BDBM50465979 (CHEMBL4281290) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(=O)CCCC)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C14H23NO8/c1-2-3-4-10(19)15-11-7(17)5-9(14(21)22)23-13(11)12(20)8(18)6-16/h5,7-8,11-13,16-18,20H,2-4,6H2,1H3,(H,15,19)(H,21,22)/t7-,8+,11+,12+,13+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Competitive inhibition of human His6-tagged NEU1 expressed in HEK293 cells using 4MU-NANA as substrate preincubated with substrate for 15 mins and me...				J Med Chem 61: 11261-11279 (2018) Article DOI: 10.1021/acs.jmedchem.8b01411 BindingDB Entry DOI: 10.7270/Q2GF0X5V
					More data for this Ligand-Target Pair
Sialidase-1 (Homo sapiens (Human))	BDBM50270454 (CHEMBL4076483) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CNC(=O)CCCC |r,c:3| Show InChI InChI=1S/C16H26N2O8/c1-3-4-5-12(22)17-7-10(21)14(23)15-13(18-8(2)19)9(20)6-11(26-15)16(24)25/h6,9-10,13-15,20-21,23H,3-5,7H2,1-2H3,(H,17,22)(H,18,19)(H,24,25)/t9-,10+,13+,14+,15+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	830	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Non-competitive inhibition of human His6-tagged NEU1 expressed in HEK293 cells using 4MU-NANA as substrate preincubated with substrate for 15 mins an...				J Med Chem 61: 11261-11279 (2018) Article DOI: 10.1021/acs.jmedchem.8b01411 BindingDB Entry DOI: 10.7270/Q2GF0X5V
					More data for this Ligand-Target Pair
Sialidase-2 (Homo sapiens (Human))	BDBM50465983 (CHEMBL4277689) Show SMILES [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(=O)CCC(C)C)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C16H28N4O7/c1-7(2)3-4-11(23)20-12-8(19-16(17)18)5-10(15(25)26)27-14(12)13(24)9(22)6-21/h5,7-9,12-14,21-22,24H,3-4,6H2,1-2H3,(H,20,23)(H,25,26)(H4,17,18,19)/t8-,9+,12+,13+,14+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30E+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 Competitive inhibition of N-terminal MBP-fused human NEU2 expressed in Escherichia coli using 4MU-NANA as substrate preincubated with substrate for 1...				J Med Chem 61: 11261-11279 (2018) Article DOI: 10.1021/acs.jmedchem.8b01411 BindingDB Entry DOI: 10.7270/Q2GF0X5V
					More data for this Ligand-Target Pair
Sialidase-2 (Homo sapiens (Human))	BDBM50465984 (CHEMBL4278858) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(=O)Cn1cc(nn1)-c1ccc(N)cc1)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C19H23N5O8/c20-10-3-1-9(2-4-10)11-6-24(23-22-11)7-15(28)21-16-12(26)5-14(19(30)31)32-18(16)17(29)13(27)8-25/h1-6,12-13,16-18,25-27,29H,7-8,20H2,(H,21,28)(H,30,31)/t12-,13+,16+,17+,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.10E+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 Non-competitive inhibition of N-terminal MBP-fused human NEU2 expressed in Escherichia coli using 4MU-NANA as substrate preincubated with substrate f...				J Med Chem 61: 11261-11279 (2018) Article DOI: 10.1021/acs.jmedchem.8b01411 BindingDB Entry DOI: 10.7270/Q2GF0X5V
					More data for this Ligand-Target Pair
Sialidase-2 (Homo sapiens (Human))	BDBM50465985 (CHEMBL4280792) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(=O)Cn1cc(nn1)-c1ccc(C)cc1)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C20H24N4O8/c1-10-2-4-11(5-3-10)12-7-24(23-22-12)8-16(28)21-17-13(26)6-15(20(30)31)32-19(17)18(29)14(27)9-25/h2-7,13-14,17-19,25-27,29H,8-9H2,1H3,(H,21,28)(H,30,31)/t13-,14+,17+,18+,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.70E+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 Non-competitive inhibition of N-terminal MBP-fused human NEU2 expressed in Escherichia coli using 4MU-NANA as substrate preincubated with substrate f...				J Med Chem 61: 11261-11279 (2018) Article DOI: 10.1021/acs.jmedchem.8b01411 BindingDB Entry DOI: 10.7270/Q2GF0X5V
					More data for this Ligand-Target Pair
Sialidase-1 (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 Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1.20E+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 Competitive inhibition of human His6-tagged NEU1 expressed in HEK293 cells using 4MU-NANA as substrate preincubated with substrate for 15 mins and me...				J Med Chem 61: 11261-11279 (2018) Article DOI: 10.1021/acs.jmedchem.8b01411 BindingDB Entry DOI: 10.7270/Q2GF0X5V
					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 Non-competitive inhibition of N-terminal MBP-fused human NEU2 expressed in Escherichia coli using 4MU-NANA as substrate preincubated with substrate f...				J Med Chem 61: 11261-11279 (2018) Article DOI: 10.1021/acs.jmedchem.8b01411 BindingDB Entry DOI: 10.7270/Q2GF0X5V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sialidase-1 (Homo sapiens (Human))	BDBM50465993 (CHEMBL4290253) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(=O)CCCCC)C(O)=O)[C@H](O)[C@H](O)CNC(C)=O |r,c:3| Show InChI InChI=1S/C17H28N2O8/c1-3-4-5-6-13(23)19-14-10(21)7-12(17(25)26)27-16(14)15(24)11(22)8-18-9(2)20/h7,10-11,14-16,21-22,24H,3-6,8H2,1-2H3,(H,18,20)(H,19,23)(H,25,26)/t10-,11+,14+,15+,16+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human His6-tagged NEU1 expressed in HEK293 cells using 4MU-NANA as substrate preincubated for 15 mins followed by substrate addition an...				J Med Chem 61: 11261-11279 (2018) Article DOI: 10.1021/acs.jmedchem.8b01411 BindingDB Entry DOI: 10.7270/Q2GF0X5V
					More data for this Ligand-Target Pair
Sialidase-1 (Homo sapiens (Human))	BDBM50465964 (CHEMBL4279593) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(=O)CCCC)C(O)=O)[C@H](O)[C@H](O)CNC(C)=O |r,c:3| Show InChI InChI=1S/C16H26N2O8/c1-3-4-5-12(22)18-13-9(20)6-11(16(24)25)26-15(13)14(23)10(21)7-17-8(2)19/h6,9-10,13-15,20-21,23H,3-5,7H2,1-2H3,(H,17,19)(H,18,22)(H,24,25)/t9-,10+,13+,14+,15+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human His6-tagged NEU1 expressed in HEK293 cells using 4MU-NANA as substrate preincubated for 15 mins followed by substrate addition an...				J Med Chem 61: 11261-11279 (2018) Article DOI: 10.1021/acs.jmedchem.8b01411 BindingDB Entry DOI: 10.7270/Q2GF0X5V
					More data for this Ligand-Target Pair
Sialidase-1 (Homo sapiens (Human))	BDBM50465960 (CHEMBL4283057) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(=O)CCCCC)C(O)=O)[C@H](O)[C@H](O)CNC(=O)CC |r,c:3| Show InChI InChI=1S/C18H30N2O8/c1-3-5-6-7-14(24)20-15-10(21)8-12(18(26)27)28-17(15)16(25)11(22)9-19-13(23)4-2/h8,10-11,15-17,21-22,25H,3-7,9H2,1-2H3,(H,19,23)(H,20,24)(H,26,27)/t10-,11+,15+,16+,17+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human His6-tagged NEU1 expressed in HEK293 cells using 4MU-NANA as substrate preincubated for 15 mins followed by substrate addition an...				J Med Chem 61: 11261-11279 (2018) Article DOI: 10.1021/acs.jmedchem.8b01411 BindingDB Entry DOI: 10.7270/Q2GF0X5V
					More data for this Ligand-Target Pair
Sialidase-1 (Homo sapiens (Human))	BDBM50465968 (CHEMBL4291908) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(=O)CCCCC)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C15H25NO8/c1-2-3-4-5-11(20)16-12-8(18)6-10(15(22)23)24-14(12)13(21)9(19)7-17/h6,8-9,12-14,17-19,21H,2-5,7H2,1H3,(H,16,20)(H,22,23)/t8-,9+,12+,13+,14+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human His6-tagged NEU1 expressed in HEK293 cells using 4MU-NANA as substrate preincubated for 15 mins followed by substrate addition an...				J Med Chem 61: 11261-11279 (2018) Article DOI: 10.1021/acs.jmedchem.8b01411 BindingDB Entry DOI: 10.7270/Q2GF0X5V
					More data for this Ligand-Target Pair
Sialidase-1 (Homo sapiens (Human))	BDBM50465979 (CHEMBL4281290) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(=O)CCCC)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C14H23NO8/c1-2-3-4-10(19)15-11-7(17)5-9(14(21)22)23-13(11)12(20)8(18)6-16/h5,7-8,11-13,16-18,20H,2-4,6H2,1H3,(H,15,19)(H,21,22)/t7-,8+,11+,12+,13+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	990	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human His6-tagged NEU1 expressed in HEK293 cells using 4MU-NANA as substrate preincubated for 15 mins followed by substrate addition an...				J Med Chem 61: 11261-11279 (2018) Article DOI: 10.1021/acs.jmedchem.8b01411 BindingDB Entry DOI: 10.7270/Q2GF0X5V
					More data for this Ligand-Target Pair
Sialidase-1 (Homo sapiens (Human))	BDBM50465978 (CHEMBL4293651) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(=O)CCCCC)C(O)=O)[C@H](O)[C@H](O)CNC(=O)CCC |r,c:3| Show InChI InChI=1S/C19H32N2O8/c1-3-5-6-8-15(25)21-16-11(22)9-13(19(27)28)29-18(16)17(26)12(23)10-20-14(24)7-4-2/h9,11-12,16-18,22-23,26H,3-8,10H2,1-2H3,(H,20,24)(H,21,25)(H,27,28)/t11-,12+,16+,17+,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human His6-tagged NEU1 expressed in HEK293 cells using 4MU-NANA as substrate preincubated for 15 mins followed by substrate addition an...				J Med Chem 61: 11261-11279 (2018) Article DOI: 10.1021/acs.jmedchem.8b01411 BindingDB Entry DOI: 10.7270/Q2GF0X5V
					More data for this Ligand-Target Pair
Sialidase-1 (Homo sapiens (Human))	BDBM50465986 (CHEMBL4286830) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(=O)CC)C(O)=O)[C@H](O)[C@H](O)CNC(=O)CCCCC |r,c:3| Show InChI InChI=1S/C18H30N2O8/c1-3-5-6-7-14(24)19-9-11(22)16(25)17-15(20-13(23)4-2)10(21)8-12(28-17)18(26)27/h8,10-11,15-17,21-22,25H,3-7,9H2,1-2H3,(H,19,24)(H,20,23)(H,26,27)/t10-,11+,15+,16+,17+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human His6-tagged NEU1 expressed in HEK293 cells using 4MU-NANA as substrate preincubated for 15 mins followed by substrate addition an...				J Med Chem 61: 11261-11279 (2018) Article DOI: 10.1021/acs.jmedchem.8b01411 BindingDB Entry DOI: 10.7270/Q2GF0X5V
					More data for this Ligand-Target Pair
Sialidase-1 (Homo sapiens (Human))	BDBM50465982 (CHEMBL4283482) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(=O)CCCC)C(O)=O)[C@H](O)[C@H](O)CNC(=O)CCCC |r,c:3| Show InChI InChI=1S/C19H32N2O8/c1-3-5-7-14(24)20-10-12(23)17(26)18-16(21-15(25)8-6-4-2)11(22)9-13(29-18)19(27)28/h9,11-12,16-18,22-23,26H,3-8,10H2,1-2H3,(H,20,24)(H,21,25)(H,27,28)/t11-,12+,16+,17+,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human His6-tagged NEU1 expressed in HEK293 cells using 4MU-NANA as substrate preincubated for 15 mins followed by substrate addition an...				J Med Chem 61: 11261-11279 (2018) Article DOI: 10.1021/acs.jmedchem.8b01411 BindingDB Entry DOI: 10.7270/Q2GF0X5V
					More data for this Ligand-Target Pair
Sialidase-1 (Homo sapiens (Human))	BDBM50465992 (CHEMBL4294730) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(=O)CC)C(O)=O)[C@H](O)[C@H](O)CNC(=O)CCCC |r,c:3| Show InChI InChI=1S/C17H28N2O8/c1-3-5-6-13(23)18-8-10(21)15(24)16-14(19-12(22)4-2)9(20)7-11(27-16)17(25)26/h7,9-10,14-16,20-21,24H,3-6,8H2,1-2H3,(H,18,23)(H,19,22)(H,25,26)/t9-,10+,14+,15+,16+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human His6-tagged NEU1 expressed in HEK293 cells using 4MU-NANA as substrate preincubated for 15 mins followed by substrate addition an...				J Med Chem 61: 11261-11279 (2018) Article DOI: 10.1021/acs.jmedchem.8b01411 BindingDB Entry DOI: 10.7270/Q2GF0X5V
					More data for this Ligand-Target Pair
Sialidase-1 (Homo sapiens (Human))	BDBM50465974 (CHEMBL4284515) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(=O)CCC(C)C)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C15H25NO8/c1-7(2)3-4-11(20)16-12-8(18)5-10(15(22)23)24-14(12)13(21)9(19)6-17/h5,7-9,12-14,17-19,21H,3-4,6H2,1-2H3,(H,16,20)(H,22,23)/t8-,9+,12+,13+,14+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human His6-tagged NEU1 expressed in HEK293 cells using 4MU-NANA as substrate preincubated for 15 mins followed by substrate addition an...				J Med Chem 61: 11261-11279 (2018) Article DOI: 10.1021/acs.jmedchem.8b01411 BindingDB Entry DOI: 10.7270/Q2GF0X5V
					More data for this Ligand-Target Pair
Sialidase-1 (Homo sapiens (Human))	BDBM50465961 (CHEMBL4279510) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CNC(=O)c1ccc(NC(C)=O)cc1 |r,c:3| Show InChI InChI=1S/C20H25N3O9/c1-9(24)22-12-5-3-11(4-6-12)19(29)21-8-14(27)17(28)18-16(23-10(2)25)13(26)7-15(32-18)20(30)31/h3-7,13-14,16-18,26-28H,8H2,1-2H3,(H,21,29)(H,22,24)(H,23,25)(H,30,31)/t13-,14+,16+,17+,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human His6-tagged NEU1 expressed in HEK293 cells using 4MU-NANA as substrate preincubated for 15 mins followed by substrate addition an...				J Med Chem 61: 11261-11279 (2018) Article DOI: 10.1021/acs.jmedchem.8b01411 BindingDB Entry DOI: 10.7270/Q2GF0X5V
					More data for this Ligand-Target Pair
Sialidase-1 (Homo sapiens (Human))	BDBM50465957 (CHEMBL4289583) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(=O)CCCCCC)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C16H27NO8/c1-2-3-4-5-6-12(21)17-13-9(19)7-11(16(23)24)25-15(13)14(22)10(20)8-18/h7,9-10,13-15,18-20,22H,2-6,8H2,1H3,(H,17,21)(H,23,24)/t9-,10+,13+,14+,15+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human His6-tagged NEU1 expressed in HEK293 cells using 4MU-NANA as substrate preincubated for 15 mins followed by substrate addition an...				J Med Chem 61: 11261-11279 (2018) Article DOI: 10.1021/acs.jmedchem.8b01411 BindingDB Entry DOI: 10.7270/Q2GF0X5V
					More data for this Ligand-Target Pair
Sialidase-2 (Homo sapiens (Human))	BDBM50465983 (CHEMBL4277689) Show SMILES [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(=O)CCC(C)C)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C16H28N4O7/c1-7(2)3-4-11(23)20-12-8(19-16(17)18)5-10(15(25)26)27-14(12)13(24)9(22)6-21/h5,7-9,12-14,21-22,24H,3-4,6H2,1-2H3,(H,20,23)(H,25,26)(H4,17,18,19)/t8-,9+,12+,13+,14+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of N-terminal MBP-fused human NEU2 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 11261-11279 (2018) Article DOI: 10.1021/acs.jmedchem.8b01411 BindingDB Entry DOI: 10.7270/Q2GF0X5V
					More data for this Ligand-Target Pair
Sialidase-1 (Homo sapiens (Human))	BDBM50331694 ((2R,3R,4S)-3-acetamido-2-((1R,2R)-3-benzamido-1,2-...) Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)CNC(=O)c1ccccc1)C(O)=O |r,c:7| Show InChI InChI=1S/C18H22N2O8/c1-9(21)20-14-11(22)7-13(18(26)27)28-16(14)15(24)12(23)8-19-17(25)10-5-3-2-4-6-10/h2-7,11-12,14-16,22-24H,8H2,1H3,(H,19,25)(H,20,21)(H,26,27)/t11-,12+,14+,15+,16+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human His6-tagged NEU1 expressed in HEK293 cells using 4MU-NANA as substrate preincubated for 15 mins followed by substrate addition an...				J Med Chem 61: 11261-11279 (2018) Article DOI: 10.1021/acs.jmedchem.8b01411 BindingDB Entry DOI: 10.7270/Q2GF0X5V
					More data for this Ligand-Target Pair
Sialidase-1 (Homo sapiens (Human))	BDBM50465972 (CHEMBL4280607) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CNC(=O)CC(C)C |r,c:3| Show InChI InChI=1S/C16H26N2O8/c1-7(2)4-12(22)17-6-10(21)14(23)15-13(18-8(3)19)9(20)5-11(26-15)16(24)25/h5,7,9-10,13-15,20-21,23H,4,6H2,1-3H3,(H,17,22)(H,18,19)(H,24,25)/t9-,10+,13+,14+,15+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human His6-tagged NEU1 expressed in HEK293 cells using 4MU-NANA as substrate preincubated for 15 mins followed by substrate addition an...				J Med Chem 61: 11261-11279 (2018) Article DOI: 10.1021/acs.jmedchem.8b01411 BindingDB Entry DOI: 10.7270/Q2GF0X5V
					More data for this Ligand-Target Pair
Sialidase-4 (Homo sapiens (Human))	BDBM50465967 (CHEMBL4285561) 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(CCCCC)nn1 |r,c:3| Show InChI InChI=1S/C18H28N4O7/c1-3-4-5-6-11-8-22(21-20-11)9-13(25)16(26)17-15(19-10(2)23)12(24)7-14(29-17)18(27)28/h7-8,12-13,15-17,24-26H,3-6,9H2,1-2H3,(H,19,23)(H,27,28)/t12-,13+,15+,16+,17+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	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 MBP-fused human NEU4 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrate addition ...				J Med Chem 61: 11261-11279 (2018) Article DOI: 10.1021/acs.jmedchem.8b01411 BindingDB Entry DOI: 10.7270/Q2GF0X5V
					More data for this Ligand-Target Pair
Sialidase-1 (Homo sapiens (Human))	BDBM50465966 (CHEMBL4294428) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CNC(=O)CCCCC |r,c:3| Show InChI InChI=1S/C17H28N2O8/c1-3-4-5-6-13(23)18-8-11(22)15(24)16-14(19-9(2)20)10(21)7-12(27-16)17(25)26/h7,10-11,14-16,21-22,24H,3-6,8H2,1-2H3,(H,18,23)(H,19,20)(H,25,26)/t10-,11+,14+,15+,16+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human His6-tagged NEU1 expressed in HEK293 cells using 4MU-NANA as substrate preincubated for 15 mins followed by substrate addition an...				J Med Chem 61: 11261-11279 (2018) Article DOI: 10.1021/acs.jmedchem.8b01411 BindingDB Entry DOI: 10.7270/Q2GF0X5V
					More data for this Ligand-Target Pair
Sialidase-1 (Homo sapiens (Human))	BDBM50465976 (CHEMBL4294661) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CNC(=O)CCC(C)C |r,c:3| Show InChI InChI=1S/C17H28N2O8/c1-8(2)4-5-13(23)18-7-11(22)15(24)16-14(19-9(3)20)10(21)6-12(27-16)17(25)26/h6,8,10-11,14-16,21-22,24H,4-5,7H2,1-3H3,(H,18,23)(H,19,20)(H,25,26)/t10-,11+,14+,15+,16+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human His6-tagged NEU1 expressed in HEK293 cells using 4MU-NANA as substrate preincubated for 15 mins followed by substrate addition an...				J Med Chem 61: 11261-11279 (2018) Article DOI: 10.1021/acs.jmedchem.8b01411 BindingDB Entry DOI: 10.7270/Q2GF0X5V
					More data for this Ligand-Target Pair
Sialidase-2 (Homo sapiens (Human))	BDBM50465985 (CHEMBL4280792) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(=O)Cn1cc(nn1)-c1ccc(C)cc1)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C20H24N4O8/c1-10-2-4-11(5-3-10)12-7-24(23-22-12)8-16(28)21-17-13(26)6-15(20(30)31)32-19(17)18(29)14(27)9-25/h2-7,13-14,17-19,25-27,29H,8-9H2,1H3,(H,21,28)(H,30,31)/t13-,14+,17+,18+,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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 N-terminal MBP-fused human NEU2 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 11261-11279 (2018) Article DOI: 10.1021/acs.jmedchem.8b01411 BindingDB Entry DOI: 10.7270/Q2GF0X5V
					More data for this Ligand-Target Pair
Sialidase-1 (Homo sapiens (Human))	BDBM50270454 (CHEMBL4076483) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CNC(=O)CCCC |r,c:3| Show InChI InChI=1S/C16H26N2O8/c1-3-4-5-12(22)17-7-10(21)14(23)15-13(18-8(2)19)9(20)6-11(26-15)16(24)25/h6,9-10,13-15,20-21,23H,3-5,7H2,1-2H3,(H,17,22)(H,18,19)(H,24,25)/t9-,10+,13+,14+,15+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human His6-tagged NEU1 expressed in HEK293 cells using 4MU-NANA as substrate preincubated for 15 mins followed by substrate addition an...				J Med Chem 61: 11261-11279 (2018) Article DOI: 10.1021/acs.jmedchem.8b01411 BindingDB Entry DOI: 10.7270/Q2GF0X5V
					More data for this Ligand-Target Pair
Sialidase-1 (Homo sapiens (Human))	BDBM50465996 (CHEMBL4289116) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CNC(=O)CCC |r,c:3| Show InChI InChI=1S/C15H24N2O8/c1-3-4-11(21)16-6-9(20)13(22)14-12(17-7(2)18)8(19)5-10(25-14)15(23)24/h5,8-9,12-14,19-20,22H,3-4,6H2,1-2H3,(H,16,21)(H,17,18)(H,23,24)/t8-,9+,12+,13+,14+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	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 His6-tagged NEU1 expressed in HEK293 cells using 4MU-NANA as substrate preincubated for 15 mins followed by substrate addition an...				J Med Chem 61: 11261-11279 (2018) Article DOI: 10.1021/acs.jmedchem.8b01411 BindingDB Entry DOI: 10.7270/Q2GF0X5V
					More data for this Ligand-Target Pair
Sialidase-1 (Homo sapiens (Human))	BDBM50465977 (CHEMBL4291325) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(=O)CCCCC)C(O)=O)[C@H](O)[C@H](O)CNC(=O)CCCCC |r,c:3| Show InChI InChI=1S/C21H36N2O8/c1-3-5-7-9-16(26)22-12-14(25)19(28)20-18(23-17(27)10-8-6-4-2)13(24)11-15(31-20)21(29)30/h11,13-14,18-20,24-25,28H,3-10,12H2,1-2H3,(H,22,26)(H,23,27)(H,29,30)/t13-,14+,18+,19+,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human His6-tagged NEU1 expressed in HEK293 cells using 4MU-NANA as substrate preincubated for 15 mins followed by substrate addition an...				J Med Chem 61: 11261-11279 (2018) Article DOI: 10.1021/acs.jmedchem.8b01411 BindingDB Entry DOI: 10.7270/Q2GF0X5V
					More data for this Ligand-Target Pair
Sialidase-3 (Homo sapiens (Human))	BDBM50331682 ((2R,3R,4S)-3-(2-azidoacetamido)-4-hydroxy-2-((1R,2...) Show SMILES OC[C@@H](O)[C@@H](O)[C@@H]1OC(=C[C@H](O)[C@H]1NC(=O)CN=[N+]=[N-])C(O)=O |r,c:8| Show InChI InChI=1S/C11H16N4O8/c12-15-13-2-7(19)14-8-4(17)1-6(11(21)22)23-10(8)9(20)5(18)3-16/h1,4-5,8-10,16-18,20H,2-3H2,(H,14,19)(H,21,22)/t4-,5+,8+,9+,10+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of N-terminal MBP-fused human NEU3 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 11261-11279 (2018) Article DOI: 10.1021/acs.jmedchem.8b01411 BindingDB Entry DOI: 10.7270/Q2GF0X5V
					More data for this Ligand-Target Pair
Sialidase-2 (Homo sapiens (Human))	BDBM50465984 (CHEMBL4278858) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(=O)Cn1cc(nn1)-c1ccc(N)cc1)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C19H23N5O8/c20-10-3-1-9(2-4-10)11-6-24(23-22-11)7-15(28)21-16-12(26)5-14(19(30)31)32-18(16)17(29)13(27)8-25/h1-6,12-13,16-18,25-27,29H,7-8,20H2,(H,21,28)(H,30,31)/t12-,13+,16+,17+,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of N-terminal MBP-fused human NEU2 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 11261-11279 (2018) Article DOI: 10.1021/acs.jmedchem.8b01411 BindingDB Entry DOI: 10.7270/Q2GF0X5V
					More data for this Ligand-Target Pair
Sialidase-2 (Homo sapiens (Human))	BDBM50465958 (CHEMBL4277391) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(=O)Cn1cc(nn1)-c1ccc(F)cc1)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C19H21FN4O8/c20-10-3-1-9(2-4-10)11-6-24(23-22-11)7-15(28)21-16-12(26)5-14(19(30)31)32-18(16)17(29)13(27)8-25/h1-6,12-13,16-18,25-27,29H,7-8H2,(H,21,28)(H,30,31)/t12-,13+,16+,17+,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of N-terminal MBP-fused human NEU2 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 11261-11279 (2018) Article DOI: 10.1021/acs.jmedchem.8b01411 BindingDB Entry DOI: 10.7270/Q2GF0X5V
					More data for this Ligand-Target Pair
Sialidase-1 (Homo sapiens (Human))	BDBM50465987 (CHEMBL3558288) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(=O)C(C)C)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C13H21NO8/c1-5(2)12(19)14-9-6(16)3-8(13(20)21)22-11(9)10(18)7(17)4-15/h3,5-7,9-11,15-18H,4H2,1-2H3,(H,14,19)(H,20,21)/t6-,7+,9+,10+,11+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human His6-tagged NEU1 expressed in HEK293 cells using 4MU-NANA as substrate preincubated for 15 mins followed by substrate addition an...				J Med Chem 61: 11261-11279 (2018) Article DOI: 10.1021/acs.jmedchem.8b01411 BindingDB Entry DOI: 10.7270/Q2GF0X5V
					More data for this Ligand-Target Pair
Sialidase-4 (Homo sapiens (Human))	BDBM50331682 ((2R,3R,4S)-3-(2-azidoacetamido)-4-hydroxy-2-((1R,2...) Show SMILES OC[C@@H](O)[C@@H](O)[C@@H]1OC(=C[C@H](O)[C@H]1NC(=O)CN=[N+]=[N-])C(O)=O |r,c:8| Show InChI InChI=1S/C11H16N4O8/c12-15-13-2-7(19)14-8-4(17)1-6(11(21)22)23-10(8)9(20)5(18)3-16/h1,4-5,8-10,16-18,20H,2-3H2,(H,14,19)(H,21,22)/t4-,5+,8+,9+,10+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of MBP-fused human NEU4 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrate addition ...				J Med Chem 61: 11261-11279 (2018) Article DOI: 10.1021/acs.jmedchem.8b01411 BindingDB Entry DOI: 10.7270/Q2GF0X5V
					More data for this Ligand-Target Pair
Sialidase-1 (Homo sapiens (Human))	BDBM50465971 (CHEMBL4290845) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CNC(=O)c1cccc(N)c1 |r,c:3| Show InChI InChI=1S/C18H23N3O8/c1-8(22)21-14-11(23)6-13(18(27)28)29-16(14)15(25)12(24)7-20-17(26)9-3-2-4-10(19)5-9/h2-6,11-12,14-16,23-25H,7,19H2,1H3,(H,20,26)(H,21,22)(H,27,28)/t11-,12+,14+,15+,16+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human His6-tagged NEU1 expressed in HEK293 cells using 4MU-NANA as substrate preincubated for 15 mins followed by substrate addition an...				J Med Chem 61: 11261-11279 (2018) Article DOI: 10.1021/acs.jmedchem.8b01411 BindingDB Entry DOI: 10.7270/Q2GF0X5V
					More data for this Ligand-Target Pair
Sialidase-3 (Homo sapiens (Human))	BDBM50465967 (CHEMBL4285561) 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(CCCCC)nn1 |r,c:3| Show InChI InChI=1S/C18H28N4O7/c1-3-4-5-6-11-8-22(21-20-11)9-13(25)16(26)17-15(19-10(2)23)12(24)7-14(29-17)18(27)28/h7-8,12-13,15-17,24-26H,3-6,9H2,1-2H3,(H,19,23)(H,27,28)/t12-,13+,15+,16+,17+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of N-terminal MBP-fused human NEU3 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 11261-11279 (2018) Article DOI: 10.1021/acs.jmedchem.8b01411 BindingDB Entry DOI: 10.7270/Q2GF0X5V
					More data for this Ligand-Target Pair
Sialidase-1 (Homo sapiens (Human))	BDBM50465988 (CHEMBL4291733) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(=O)C1CC1)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C13H19NO8/c15-4-7(17)10(18)11-9(14-12(19)5-1-2-5)6(16)3-8(22-11)13(20)21/h3,5-7,9-11,15-18H,1-2,4H2,(H,14,19)(H,20,21)/t6-,7+,9+,10+,11+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human His6-tagged NEU1 expressed in HEK293 cells using 4MU-NANA as substrate preincubated for 15 mins followed by substrate addition an...				J Med Chem 61: 11261-11279 (2018) Article DOI: 10.1021/acs.jmedchem.8b01411 BindingDB Entry DOI: 10.7270/Q2GF0X5V
					More data for this Ligand-Target Pair
Sialidase-3 (Homo sapiens (Human))	BDBM50465975 (CHEMBL4277321) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CNC(=O)c1cccc(NC(C)=O)c1 |r,c:3| Show InChI InChI=1S/C20H25N3O9/c1-9(24)22-12-5-3-4-11(6-12)19(29)21-8-14(27)17(28)18-16(23-10(2)25)13(26)7-15(32-18)20(30)31/h3-7,13-14,16-18,26-28H,8H2,1-2H3,(H,21,29)(H,22,24)(H,23,25)(H,30,31)/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	7.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of N-terminal MBP-fused human NEU3 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 11261-11279 (2018) Article DOI: 10.1021/acs.jmedchem.8b01411 BindingDB Entry DOI: 10.7270/Q2GF0X5V
					More data for this Ligand-Target Pair
Sialidase-3 (Homo sapiens (Human))	BDBM50465961 (CHEMBL4279510) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CNC(=O)c1ccc(NC(C)=O)cc1 |r,c:3| Show InChI InChI=1S/C20H25N3O9/c1-9(24)22-12-5-3-11(4-6-12)19(29)21-8-14(27)17(28)18-16(23-10(2)25)13(26)7-15(32-18)20(30)31/h3-7,13-14,16-18,26-28H,8H2,1-2H3,(H,21,29)(H,22,24)(H,23,25)(H,30,31)/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	7.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of N-terminal MBP-fused human NEU3 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 11261-11279 (2018) Article DOI: 10.1021/acs.jmedchem.8b01411 BindingDB Entry DOI: 10.7270/Q2GF0X5V
					More data for this Ligand-Target Pair
Sialidase-2 (Homo sapiens (Human))	BDBM50465974 (CHEMBL4284515) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(=O)CCC(C)C)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C15H25NO8/c1-7(2)3-4-11(20)16-12-8(18)5-10(15(22)23)24-14(12)13(21)9(19)6-17/h5,7-9,12-14,17-19,21H,3-4,6H2,1-2H3,(H,16,20)(H,22,23)/t8-,9+,12+,13+,14+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of N-terminal MBP-fused human NEU2 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 11261-11279 (2018) Article DOI: 10.1021/acs.jmedchem.8b01411 BindingDB Entry DOI: 10.7270/Q2GF0X5V
					More data for this Ligand-Target Pair
Sialidase-1 (Homo sapiens (Human))	BDBM50465975 (CHEMBL4277321) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CNC(=O)c1cccc(NC(C)=O)c1 |r,c:3| Show InChI InChI=1S/C20H25N3O9/c1-9(24)22-12-5-3-4-11(6-12)19(29)21-8-14(27)17(28)18-16(23-10(2)25)13(26)7-15(32-18)20(30)31/h3-7,13-14,16-18,26-28H,8H2,1-2H3,(H,21,29)(H,22,24)(H,23,25)(H,30,31)/t13-,14+,16+,17+,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human His6-tagged NEU1 expressed in HEK293 cells using 4MU-NANA as substrate preincubated for 15 mins followed by substrate addition an...				J Med Chem 61: 11261-11279 (2018) Article DOI: 10.1021/acs.jmedchem.8b01411 BindingDB Entry DOI: 10.7270/Q2GF0X5V
					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 N-terminal MBP-fused human NEU3 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 11261-11279 (2018) Article DOI: 10.1021/acs.jmedchem.8b01411 BindingDB Entry DOI: 10.7270/Q2GF0X5V
					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 MBP-fused human NEU4 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrate addition ...				J Med Chem 61: 11261-11279 (2018) Article DOI: 10.1021/acs.jmedchem.8b01411 BindingDB Entry DOI: 10.7270/Q2GF0X5V
					More data for this Ligand-Target Pair
Sialidase-1 (Homo sapiens (Human))	BDBM50465994 (CHEMBL4288490) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(=O)CCC)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C13H21NO8/c1-2-3-9(18)14-10-6(16)4-8(13(20)21)22-12(10)11(19)7(17)5-15/h4,6-7,10-12,15-17,19H,2-3,5H2,1H3,(H,14,18)(H,20,21)/t6-,7+,10+,11+,12+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	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
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human His6-tagged NEU1 expressed in HEK293 cells using 4MU-NANA as substrate preincubated for 15 mins followed by substrate addition an...				J Med Chem 61: 11261-11279 (2018) Article DOI: 10.1021/acs.jmedchem.8b01411 BindingDB Entry DOI: 10.7270/Q2GF0X5V
					More data for this Ligand-Target Pair
Sialidase-4 (Homo sapiens (Human))	BDBM50465994 (CHEMBL4288490) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(=O)CCC)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C13H21NO8/c1-2-3-9(18)14-10-6(16)4-8(13(20)21)22-12(10)11(19)7(17)5-15/h4,6-7,10-12,15-17,19H,2-3,5H2,1H3,(H,14,18)(H,20,21)/t6-,7+,10+,11+,12+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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
University of Alberta Curated by ChEMBL					Assay Description Inhibition of MBP-fused human NEU4 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrate addition ...				J Med Chem 61: 11261-11279 (2018) Article DOI: 10.1021/acs.jmedchem.8b01411 BindingDB Entry DOI: 10.7270/Q2GF0X5V
					More data for this Ligand-Target Pair
Sialidase-1 (Homo sapiens (Human))	BDBM50465970 (CHEMBL4286541) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CNC(=O)CCCCCC |r,c:3| Show InChI InChI=1S/C18H30N2O8/c1-3-4-5-6-7-14(24)19-9-12(23)16(25)17-15(20-10(2)21)11(22)8-13(28-17)18(26)27/h8,11-12,15-17,22-23,25H,3-7,9H2,1-2H3,(H,19,24)(H,20,21)(H,26,27)/t11-,12+,15+,16+,17+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human His6-tagged NEU1 expressed in HEK293 cells using 4MU-NANA as substrate preincubated for 15 mins followed by substrate addition an...				J Med Chem 61: 11261-11279 (2018) Article DOI: 10.1021/acs.jmedchem.8b01411 BindingDB Entry DOI: 10.7270/Q2GF0X5V
					More data for this Ligand-Target Pair
Sialidase-2 (Homo sapiens (Human))	BDBM50465973 (CHEMBL4291435) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(=O)Cn1cc(nn1)-c1ccc(OC)cc1)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C20H24N4O9/c1-32-11-4-2-10(3-5-11)12-7-24(23-22-12)8-16(28)21-17-13(26)6-15(20(30)31)33-19(17)18(29)14(27)9-25/h2-7,13-14,17-19,25-27,29H,8-9H2,1H3,(H,21,28)(H,30,31)/t13-,14+,17+,18+,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 N-terminal MBP-fused human NEU2 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 11261-11279 (2018) Article DOI: 10.1021/acs.jmedchem.8b01411 BindingDB Entry DOI: 10.7270/Q2GF0X5V
					More data for this Ligand-Target Pair
Sialidase-1 (Homo sapiens (Human))	BDBM50465969 (CHEMBL4290966) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(=O)c1ccccc1)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C16H19NO8/c18-7-10(20)13(21)14-12(9(19)6-11(25-14)16(23)24)17-15(22)8-4-2-1-3-5-8/h1-6,9-10,12-14,18-21H,7H2,(H,17,22)(H,23,24)/t9-,10+,12+,13+,14+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	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 His6-tagged NEU1 expressed in HEK293 cells using 4MU-NANA as substrate preincubated for 15 mins followed by substrate addition an...				J Med Chem 61: 11261-11279 (2018) Article DOI: 10.1021/acs.jmedchem.8b01411 BindingDB Entry DOI: 10.7270/Q2GF0X5V
					More data for this Ligand-Target Pair

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