null

SMILES: CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)Cn1cc(CCO)nn1)C(O)=O

InChI Key: InChIKey=LOBCLUJEPFNFNV-NRFQWKTPSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50331679   

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))	BDBM50331679 ((2R,3R,4S)-3-acetamido-2-((1R,2R)-1,2-dihydroxy-3-...) Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)Cn1cc(CCO)nn1)C(O)=O |r,c:7| Show InChI InChI=1S/C15H22N4O8/c1-7(21)16-12-9(22)4-11(15(25)26)27-14(12)13(24)10(23)6-19-5-8(2-3-20)17-18-19/h4-5,9-10,12-14,20,22-24H,2-3,6H2,1H3,(H,16,21)(H,25,26)/t9-,10+,12+,13+,14+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	60	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 NEU4 using 4-MU-NANA as substrate measured every 30 seconds for 60 mins by fluorescence plate reader analysis				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))	BDBM50331679 ((2R,3R,4S)-3-acetamido-2-((1R,2R)-1,2-dihydroxy-3-...) Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)Cn1cc(CCO)nn1)C(O)=O |r,c:7| Show InChI InChI=1S/C15H22N4O8/c1-7(21)16-12-9(22)4-11(15(25)26)27-14(12)13(24)10(23)6-19-5-8(2-3-20)17-18-19/h4-5,9-10,12-14,20,22-24H,2-3,6H2,1H3,(H,16,21)(H,25,26)/t9-,10+,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	4.00E+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-2 (Homo sapiens (Human))	BDBM50331679 ((2R,3R,4S)-3-acetamido-2-((1R,2R)-1,2-dihydroxy-3-...) Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)Cn1cc(CCO)nn1)C(O)=O |r,c:7| Show InChI InChI=1S/C15H22N4O8/c1-7(21)16-12-9(22)4-11(15(25)26)27-14(12)13(24)10(23)6-19-5-8(2-3-20)17-18-19/h4-5,9-10,12-14,20,22-24H,2-3,6H2,1H3,(H,16,21)(H,25,26)/t9-,10+,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	>1.00E+6	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
Sialidase-1 (Homo sapiens (Human))	BDBM50331679 ((2R,3R,4S)-3-acetamido-2-((1R,2R)-1,2-dihydroxy-3-...) Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)Cn1cc(CCO)nn1)C(O)=O |r,c:7| Show InChI InChI=1S/C15H22N4O8/c1-7(21)16-12-9(22)4-11(15(25)26)27-14(12)13(24)10(23)6-19-5-8(2-3-20)17-18-19/h4-5,9-10,12-14,20,22-24H,2-3,6H2,1H3,(H,16,21)(H,25,26)/t9-,10+,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	>1.00E+6	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-4 (Homo sapiens (Human))	BDBM50331679 ((2R,3R,4S)-3-acetamido-2-((1R,2R)-1,2-dihydroxy-3-...) Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)Cn1cc(CCO)nn1)C(O)=O |r,c:7| Show InChI InChI=1S/C15H22N4O8/c1-7(21)16-12-9(22)4-11(15(25)26)27-14(12)13(24)10(23)6-19-5-8(2-3-20)17-18-19/h4-5,9-10,12-14,20,22-24H,2-3,6H2,1H3,(H,16,21)(H,25,26)/t9-,10+,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	810	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))	BDBM50331679 ((2R,3R,4S)-3-acetamido-2-((1R,2R)-1,2-dihydroxy-3-...) Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)Cn1cc(CCO)nn1)C(O)=O |r,c:7| Show InChI InChI=1S/C15H22N4O8/c1-7(21)16-12-9(22)4-11(15(25)26)27-14(12)13(24)10(23)6-19-5-8(2-3-20)17-18-19/h4-5,9-10,12-14,20,22-24H,2-3,6H2,1H3,(H,16,21)(H,25,26)/t9-,10+,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	3.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human 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