BDBM50229631 (4S,5R,6R)-5-acetamido-6-((1S,2S)-3-butyramido-1,2-dihydroxypropyl)-4-hydroxy-5,6-dihydro-4H-pyran-2-carboxylic acid::CHEMBL252061

SMILES: CCCC(=O)NC[C@H](O)[C@H](O)[C@@H]1OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O

InChI Key: InChIKey=HDVFVFWGTRXVSQ-OOUKEXCNSA-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 = 50229631   

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))	BDBM50229631 ((4S,5R,6R)-5-acetamido-6-((1S,2S)-3-butyramido-1,2...) Show SMILES CCCC(=O)NC[C@H](O)[C@H](O)[C@@H]1OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O |c:13| 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	Reactome pathway KEGG UniProtKB/SwissProt 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
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 1 (Homo sapiens (Human))	BDBM50229631 ((4S,5R,6R)-5-acetamido-6-((1S,2S)-3-butyramido-1,2...) Show SMILES CCCC(=O)NC[C@H](O)[C@H](O)[C@@H]1OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O |c:13| 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	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL 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
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
Sialidase 4 (Homo sapiens (Human))	BDBM50229631 ((4S,5R,6R)-5-acetamido-6-((1S,2S)-3-butyramido-1,2...) Show SMILES CCCC(=O)NC[C@H](O)[C@H](O)[C@@H]1OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O |c:13| 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	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.23E+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))	BDBM50229631 ((4S,5R,6R)-5-acetamido-6-((1S,2S)-3-butyramido-1,2...) Show SMILES CCCC(=O)NC[C@H](O)[C@H](O)[C@@H]1OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O |c:13| 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 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
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