null

SMILES: CCC(CC)O[C@@H]1CC(=C[C@@H]([C@H]1NC(C)=O)n1cc(nn1)[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C)C(O)=O

InChI Key: InChIKey=KXJWRUZGKKGEGN-WGVFSBICSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50343689   

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
Neuraminidase (Influenza A virus)	BDBM50343689 ((3S,4R,5R)-4-acetamido-3-(4-((8R,9S,13S,14S,17S)-3...) Show SMILES CCC(CC)O[C@@H]1CC(=C[C@@H]([C@H]1NC(C)=O)n1cc(nn1)[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C)C(O)=O |r,c:8| Show InChI InChI=1S/C34H46N4O6/c1-5-23(6-2)44-29-17-21(32(41)42)16-28(31(29)35-19(3)39)38-18-30(36-37-38)34(43)14-12-27-26-9-7-20-15-22(40)8-10-24(20)25(26)11-13-33(27,34)4/h8,10,15-16,18,23,25-29,31,40,43H,5-7,9,11-14,17H2,1-4H3,(H,35,39)(H,41,42)/t25-,26-,27+,28+,29-,31-,33+,34-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition of influenza A nuraminidase N1				J Med Chem 53: 7377-91 (2010) Article DOI: 10.1021/jm100822f BindingDB Entry DOI: 10.7270/Q2S75K5B
					More data for this Ligand-Target Pair
Sialidase-3 (Homo sapiens (Human))	BDBM50343689 ((3S,4R,5R)-4-acetamido-3-(4-((8R,9S,13S,14S,17S)-3...) Show SMILES CCC(CC)O[C@@H]1CC(=C[C@@H]([C@H]1NC(C)=O)n1cc(nn1)[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C)C(O)=O |r,c:8| Show InChI InChI=1S/C34H46N4O6/c1-5-23(6-2)44-29-17-21(32(41)42)16-28(31(29)35-19(3)39)38-18-30(36-37-38)34(43)14-12-27-26-9-7-20-15-22(40)8-10-24(20)25(26)11-13-33(27,34)4/h8,10,15-16,18,23,25-29,31,40,43H,5-7,9,11-14,17H2,1-4H3,(H,35,39)(H,41,42)/t25-,26-,27+,28+,29-,31-,33+,34-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+5	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 4MU-NA as substrate after 1 hr by fluorescence assay				Bioorg Med Chem 19: 2817-22 (2011) Article DOI: 10.1016/j.bmc.2011.03.039 BindingDB Entry DOI: 10.7270/Q2Z31ZZV
					More data for this Ligand-Target Pair
Sialidase-4 (Homo sapiens (Human))	BDBM50343689 ((3S,4R,5R)-4-acetamido-3-(4-((8R,9S,13S,14S,17S)-3...) Show SMILES CCC(CC)O[C@@H]1CC(=C[C@@H]([C@H]1NC(C)=O)n1cc(nn1)[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C)C(O)=O |r,c:8| Show InChI InChI=1S/C34H46N4O6/c1-5-23(6-2)44-29-17-21(32(41)42)16-28(31(29)35-19(3)39)38-18-30(36-37-38)34(43)14-12-27-26-9-7-20-15-22(40)8-10-24(20)25(26)11-13-33(27,34)4/h8,10,15-16,18,23,25-29,31,40,43H,5-7,9,11-14,17H2,1-4H3,(H,35,39)(H,41,42)/t25-,26-,27+,28+,29-,31-,33+,34-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human NEU4 using 4MU-NA as substrate after 1 hr by fluorescence assay				Bioorg Med Chem 19: 2817-22 (2011) Article DOI: 10.1016/j.bmc.2011.03.039 BindingDB Entry DOI: 10.7270/Q2Z31ZZV
					More data for this Ligand-Target Pair