BDBM50229625 (4S,5R,6R)-5-acetamido-6-((1S,2S)-3-benzamido-1,2-dihydroxypropyl)-4-hydroxy-5,6-dihydro-4H-pyran-2-carboxylic acid::CHEMBL253682

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

InChI Key: InChIKey=ZIGQEQQUVHQXEH-LZNONINNSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50229625   

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 3 (Homo sapiens (Human))	BDBM50229625 ((4S,5R,6R)-5-acetamido-6-((1S,2S)-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 |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	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Inhibition of human NEU3 expressed in HEK293 cells				Bioorg Med Chem Lett 18: 532-7 (2008) Article DOI: 10.1016/j.bmcl.2007.11.084 BindingDB Entry DOI: 10.7270/Q2HD7VCB
					More data for this Ligand-Target Pair
Sialidase 4 (Homo sapiens (Human))	BDBM50229625 ((4S,5R,6R)-5-acetamido-6-((1S,2S)-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 |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	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.10E+5	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Inhibition of human NEU4 expressed in HEK293 cells				Bioorg Med Chem Lett 18: 532-7 (2008) Article DOI: 10.1016/j.bmcl.2007.11.084 BindingDB Entry DOI: 10.7270/Q2HD7VCB
					More data for this Ligand-Target Pair
Sialidase 2 (Homo sapiens (Human))	BDBM50229625 ((4S,5R,6R)-5-acetamido-6-((1S,2S)-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 |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 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	8.65E+5	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Inhibition of human NEU2 expressed in HEK293 cells				Bioorg Med Chem Lett 18: 532-7 (2008) Article DOI: 10.1016/j.bmcl.2007.11.084 BindingDB Entry DOI: 10.7270/Q2HD7VCB
					More data for this Ligand-Target Pair
Sialidase 1 (Homo sapiens (Human))	BDBM50229625 ((4S,5R,6R)-5-acetamido-6-((1S,2S)-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 |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	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Inhibition of human NEU1 expressed in HEK293 cells				Bioorg Med Chem Lett 18: 532-7 (2008) Article DOI: 10.1016/j.bmcl.2007.11.084 BindingDB Entry DOI: 10.7270/Q2HD7VCB
					More data for this Ligand-Target Pair