null

SMILES: CCOc1cn(C[C@@H](O)[C@@H](O)[C@@H]2OC(=C[C@H](O)[C@H]2NC(C)=O)C(O)=O)nn1

InChI Key: InChIKey=AYYGPPXPBVWOSA-ZZEHVWSGSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50331675   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Sialidase-4 (Homo sapiens (Human))	BDBM50331675 ((2R,3R,4S)-3-acetamido-2-((1R,2R)-3-(4-ethoxy-1H-1...) Show SMILES CCOc1cn(C[C@@H](O)[C@@H](O)[C@@H]2OC(=C[C@H](O)[C@H]2NC(C)=O)C(O)=O)nn1 |r,c:13| Show InChI InChI=1S/C15H22N4O8/c1-3-26-11-6-19(18-17-11)5-9(22)13(23)14-12(16-7(2)20)8(21)4-10(27-14)15(24)25/h4,6,8-9,12-14,21-23H,3,5H2,1-2H3,(H,16,20)(H,24,25)/t8-,9+,12+,13+,14+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human NEU4 using 4-MU-NANA as substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence plate...				ACS Med Chem Lett 4: 532-7 (2013) Article DOI: 10.1021/ml400080t BindingDB Entry DOI: 10.7270/Q25H7HNQ
					More data for this Ligand-Target Pair
Sialidase-3 (Homo sapiens (Human))	BDBM50331675 ((2R,3R,4S)-3-acetamido-2-((1R,2R)-3-(4-ethoxy-1H-1...) Show SMILES CCOc1cn(C[C@@H](O)[C@@H](O)[C@@H]2OC(=C[C@H](O)[C@H]2NC(C)=O)C(O)=O)nn1 |r,c:13| Show InChI InChI=1S/C15H22N4O8/c1-3-26-11-6-19(18-17-11)5-9(22)13(23)14-12(16-7(2)20)8(21)4-10(27-14)15(24)25/h4,6,8-9,12-14,21-23H,3,5H2,1-2H3,(H,16,20)(H,24,25)/t8-,9+,12+,13+,14+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human NEU3 using 4-MU-NANA as substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence plate...				ACS Med Chem Lett 4: 532-7 (2013) Article DOI: 10.1021/ml400080t BindingDB Entry DOI: 10.7270/Q25H7HNQ
					More data for this Ligand-Target Pair
Sialidase-3 (Homo sapiens (Human))	BDBM50331675 ((2R,3R,4S)-3-acetamido-2-((1R,2R)-3-(4-ethoxy-1H-1...) Show SMILES CCOc1cn(C[C@@H](O)[C@@H](O)[C@@H]2OC(=C[C@H](O)[C@H]2NC(C)=O)C(O)=O)nn1 |r,c:13| Show InChI InChI=1S/C15H22N4O8/c1-3-26-11-6-19(18-17-11)5-9(22)13(23)14-12(16-7(2)20)8(21)4-10(27-14)15(24)25/h4,6,8-9,12-14,21-23H,3,5H2,1-2H3,(H,16,20)(H,24,25)/t8-,9+,12+,13+,14+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human neuraminidase 3 assessed as inhibition of 4-methylumbelliferyl-alpha-D-glucopyranoside hydrolysis by fluorescence assay				Bioorg Med Chem Lett 20: 7529-33 (2010) Article DOI: 10.1016/j.bmcl.2010.09.111 BindingDB Entry DOI: 10.7270/Q2K938H5
					More data for this Ligand-Target Pair
Sialidase-1 (Homo sapiens (Human))	BDBM50331675 ((2R,3R,4S)-3-acetamido-2-((1R,2R)-3-(4-ethoxy-1H-1...) Show SMILES CCOc1cn(C[C@@H](O)[C@@H](O)[C@@H]2OC(=C[C@H](O)[C@H]2NC(C)=O)C(O)=O)nn1 |r,c:13| Show InChI InChI=1S/C15H22N4O8/c1-3-26-11-6-19(18-17-11)5-9(22)13(23)14-12(16-7(2)20)8(21)4-10(27-14)15(24)25/h4,6,8-9,12-14,21-23H,3,5H2,1-2H3,(H,16,20)(H,24,25)/t8-,9+,12+,13+,14+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human NEU1 using 4-MU-NANA as substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence plate...				ACS Med Chem Lett 4: 532-7 (2013) Article DOI: 10.1021/ml400080t BindingDB Entry DOI: 10.7270/Q25H7HNQ
					More data for this Ligand-Target Pair
Sialidase-2 (Homo sapiens (Human))	BDBM50331675 ((2R,3R,4S)-3-acetamido-2-((1R,2R)-3-(4-ethoxy-1H-1...) Show SMILES CCOc1cn(C[C@@H](O)[C@@H](O)[C@@H]2OC(=C[C@H](O)[C@H]2NC(C)=O)C(O)=O)nn1 |r,c:13| Show InChI InChI=1S/C15H22N4O8/c1-3-26-11-6-19(18-17-11)5-9(22)13(23)14-12(16-7(2)20)8(21)4-10(27-14)15(24)25/h4,6,8-9,12-14,21-23H,3,5H2,1-2H3,(H,16,20)(H,24,25)/t8-,9+,12+,13+,14+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human NEU2 using 4-MU-NANA as substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence plate...				ACS Med Chem Lett 4: 532-7 (2013) Article DOI: 10.1021/ml400080t BindingDB Entry DOI: 10.7270/Q25H7HNQ
					More data for this Ligand-Target Pair