null

SMILES: CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1CNNCc1ccc(cc1)-c1ccccc1)C(O)=O

InChI Key: InChIKey=WNYFCBDWIXGDHL-SESVDKBCSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50428075   

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 (Vibrio cholerae)	BDBM50428075 (CHEMBL2323564) Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1CNNCc1ccc(cc1)-c1ccccc1)C(O)=O |r,c:7| Show InChI InChI=1S/C22H25N3O5/c1-14(26)25-21-18(27)11-19(22(28)29)30-20(21)13-24-23-12-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-11,18,20-21,23-24,27H,12-13H2,1H3,(H,25,26)(H,28,29)/t18-,20-,21+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 Vibrio cholerae neuraminidase				J Med Chem 56: 2948-58 (2013) Article DOI: 10.1021/jm301892f BindingDB Entry DOI: 10.7270/Q25M672F
					More data for this Ligand-Target Pair
Sialidase-4 (Homo sapiens (Human))	BDBM50428075 (CHEMBL2323564) Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1CNNCc1ccc(cc1)-c1ccccc1)C(O)=O |r,c:7| Show InChI InChI=1S/C22H25N3O5/c1-14(26)25-21-18(27)11-19(22(28)29)30-20(21)13-24-23-12-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-11,18,20-21,23-24,27H,12-13H2,1H3,(H,25,26)(H,28,29)/t18-,20-,21+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+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 4 using 4MU-NANA as substrate measured for every 30 seconds for 60 mins by fluorescence assay				J Med Chem 56: 2948-58 (2013) Article DOI: 10.1021/jm301892f BindingDB Entry DOI: 10.7270/Q25M672F
					More data for this Ligand-Target Pair
Sialidase-1 (Homo sapiens (Human))	BDBM50428075 (CHEMBL2323564) Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1CNNCc1ccc(cc1)-c1ccccc1)C(O)=O |r,c:7| Show InChI InChI=1S/C22H25N3O5/c1-14(26)25-21-18(27)11-19(22(28)29)30-20(21)13-24-23-12-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-11,18,20-21,23-24,27H,12-13H2,1H3,(H,25,26)(H,28,29)/t18-,20-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 neuraminidase 1 using 4MU-NANA as substrate after 30 mins by fluorescence assay				J Med Chem 56: 2948-58 (2013) Article DOI: 10.1021/jm301892f BindingDB Entry DOI: 10.7270/Q25M672F
					More data for this Ligand-Target Pair
Sialidase-2 (Homo sapiens (Human))	BDBM50428075 (CHEMBL2323564) Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1CNNCc1ccc(cc1)-c1ccccc1)C(O)=O |r,c:7| Show InChI InChI=1S/C22H25N3O5/c1-14(26)25-21-18(27)11-19(22(28)29)30-20(21)13-24-23-12-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-11,18,20-21,23-24,27H,12-13H2,1H3,(H,25,26)(H,28,29)/t18-,20-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human neuraminidase 2 expressed in Escherichia coli using 4MU-NANA as substrate measured for every 30 seconds for 60 mins by fluorescen...				J Med Chem 56: 2948-58 (2013) Article DOI: 10.1021/jm301892f BindingDB Entry DOI: 10.7270/Q25M672F
					More data for this Ligand-Target Pair
Sialidase-3 (Homo sapiens (Human))	BDBM50428075 (CHEMBL2323564) Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1CNNCc1ccc(cc1)-c1ccccc1)C(O)=O |r,c:7| Show InChI InChI=1S/C22H25N3O5/c1-14(26)25-21-18(27)11-19(22(28)29)30-20(21)13-24-23-12-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-11,18,20-21,23-24,27H,12-13H2,1H3,(H,25,26)(H,28,29)/t18-,20-,21+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human neuraminidase 3 expressed in Escherichia coli using 4MU-NANA as substrate measured for every 30 seconds for 60 mins by fluorescen...				J Med Chem 56: 2948-58 (2013) Article DOI: 10.1021/jm301892f BindingDB Entry DOI: 10.7270/Q25M672F
					More data for this Ligand-Target Pair