null

SMILES: CC(=O)N[C@H]1[C@H](CNc2ccccc2)OC(=C[C@@H]1N=[N+]=[N-])C(O)=O

InChI Key: InChIKey=JXPMHYDGECXWAU-FPMFFAJLSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50428073   

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-1 (Homo sapiens (Human))	BDBM50428073 (CHEMBL2325809) Show SMILES CC(=O)N[C@H]1[C@H](CNc2ccccc2)OC(=C[C@@H]1N=[N+]=[N-])C(O)=O |r,c:16| Show InChI InChI=1S/C15H17N5O4/c1-9(21)18-14-11(19-20-16)7-12(15(22)23)24-13(14)8-17-10-5-3-2-4-6-10/h2-7,11,13-14,17H,8H2,1H3,(H,18,21)(H,22,23)/t11-,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 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
Neuraminidase (Vibrio cholerae)	BDBM50428073 (CHEMBL2325809) Show SMILES CC(=O)N[C@H]1[C@H](CNc2ccccc2)OC(=C[C@@H]1N=[N+]=[N-])C(O)=O |r,c:16| Show InChI InChI=1S/C15H17N5O4/c1-9(21)18-14-11(19-20-16)7-12(15(22)23)24-13(14)8-17-10-5-3-2-4-6-10/h2-7,11,13-14,17H,8H2,1H3,(H,18,21)(H,22,23)/t11-,13-,14+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD 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 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-2 (Homo sapiens (Human))	BDBM50428073 (CHEMBL2325809) Show SMILES CC(=O)N[C@H]1[C@H](CNc2ccccc2)OC(=C[C@@H]1N=[N+]=[N-])C(O)=O |r,c:16| Show InChI InChI=1S/C15H17N5O4/c1-9(21)18-14-11(19-20-16)7-12(15(22)23)24-13(14)8-17-10-5-3-2-4-6-10/h2-7,11,13-14,17H,8H2,1H3,(H,18,21)(H,22,23)/t11-,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	1.31E+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 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))	BDBM50428073 (CHEMBL2325809) Show SMILES CC(=O)N[C@H]1[C@H](CNc2ccccc2)OC(=C[C@@H]1N=[N+]=[N-])C(O)=O |r,c:16| Show InChI InChI=1S/C15H17N5O4/c1-9(21)18-14-11(19-20-16)7-12(15(22)23)24-13(14)8-17-10-5-3-2-4-6-10/h2-7,11,13-14,17H,8H2,1H3,(H,18,21)(H,22,23)/t11-,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	4.40E+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 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-4 (Homo sapiens (Human))	BDBM50428073 (CHEMBL2325809) Show SMILES CC(=O)N[C@H]1[C@H](CNc2ccccc2)OC(=C[C@@H]1N=[N+]=[N-])C(O)=O |r,c:16| Show InChI InChI=1S/C15H17N5O4/c1-9(21)18-14-11(19-20-16)7-12(15(22)23)24-13(14)8-17-10-5-3-2-4-6-10/h2-7,11,13-14,17H,8H2,1H3,(H,18,21)(H,22,23)/t11-,13-,14+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+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