null

SMILES: [H][C@]1(OC(=C[C@H](O)[C@H]1NC(=O)Cn1cc(nn1)-c1ccc(N)cc1)C(O)=O)[C@H](O)[C@H](O)CO

InChI Key: InChIKey=UJCGSVDVRDOQKA-NYMASUJMSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50465984   

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))	BDBM50465984 (CHEMBL4278858) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(=O)Cn1cc(nn1)-c1ccc(N)cc1)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C19H23N5O8/c20-10-3-1-9(2-4-10)11-6-24(23-22-11)7-15(28)21-16-12(26)5-14(19(30)31)32-18(16)17(29)13(27)8-25/h1-6,12-13,16-18,25-27,29H,7-8,20H2,(H,21,28)(H,30,31)/t12-,13+,16+,17+,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Competitive inhibition of human His6-tagged NEU1 expressed in HEK293 cells using 4MU-NANA as substrate preincubated with substrate for 15 mins and me...				J Med Chem 61: 11261-11279 (2018) Article DOI: 10.1021/acs.jmedchem.8b01411 BindingDB Entry DOI: 10.7270/Q2GF0X5V
					More data for this Ligand-Target Pair
Sialidase-2 (Homo sapiens (Human))	BDBM50465984 (CHEMBL4278858) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(=O)Cn1cc(nn1)-c1ccc(N)cc1)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C19H23N5O8/c20-10-3-1-9(2-4-10)11-6-24(23-22-11)7-15(28)21-16-12(26)5-14(19(30)31)32-18(16)17(29)13(27)8-25/h1-6,12-13,16-18,25-27,29H,7-8,20H2,(H,21,28)(H,30,31)/t12-,13+,16+,17+,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Non-competitive inhibition of N-terminal MBP-fused human NEU2 expressed in Escherichia coli using 4MU-NANA as substrate preincubated with substrate f...				J Med Chem 61: 11261-11279 (2018) Article DOI: 10.1021/acs.jmedchem.8b01411 BindingDB Entry DOI: 10.7270/Q2GF0X5V
					More data for this Ligand-Target Pair
Sialidase-1 (Homo sapiens (Human))	BDBM50465984 (CHEMBL4278858) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(=O)Cn1cc(nn1)-c1ccc(N)cc1)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C19H23N5O8/c20-10-3-1-9(2-4-10)11-6-24(23-22-11)7-15(28)21-16-12(26)5-14(19(30)31)32-18(16)17(29)13(27)8-25/h1-6,12-13,16-18,25-27,29H,7-8,20H2,(H,21,28)(H,30,31)/t12-,13+,16+,17+,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human His6-tagged NEU1 expressed in HEK293 cells using 4MU-NANA as substrate preincubated for 15 mins followed by substrate addition an...				J Med Chem 61: 11261-11279 (2018) Article DOI: 10.1021/acs.jmedchem.8b01411 BindingDB Entry DOI: 10.7270/Q2GF0X5V
					More data for this Ligand-Target Pair
Sialidase-2 (Homo sapiens (Human))	BDBM50465984 (CHEMBL4278858) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(=O)Cn1cc(nn1)-c1ccc(N)cc1)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C19H23N5O8/c20-10-3-1-9(2-4-10)11-6-24(23-22-11)7-15(28)21-16-12(26)5-14(19(30)31)32-18(16)17(29)13(27)8-25/h1-6,12-13,16-18,25-27,29H,7-8,20H2,(H,21,28)(H,30,31)/t12-,13+,16+,17+,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of N-terminal MBP-fused human NEU2 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 11261-11279 (2018) Article DOI: 10.1021/acs.jmedchem.8b01411 BindingDB Entry DOI: 10.7270/Q2GF0X5V
					More data for this Ligand-Target Pair
Sialidase-3 (Homo sapiens (Human))	BDBM50465984 (CHEMBL4278858) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(=O)Cn1cc(nn1)-c1ccc(N)cc1)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C19H23N5O8/c20-10-3-1-9(2-4-10)11-6-24(23-22-11)7-15(28)21-16-12(26)5-14(19(30)31)32-18(16)17(29)13(27)8-25/h1-6,12-13,16-18,25-27,29H,7-8,20H2,(H,21,28)(H,30,31)/t12-,13+,16+,17+,18+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of N-terminal MBP-fused human NEU3 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 11261-11279 (2018) Article DOI: 10.1021/acs.jmedchem.8b01411 BindingDB Entry DOI: 10.7270/Q2GF0X5V
					More data for this Ligand-Target Pair
Sialidase-4 (Homo sapiens (Human))	BDBM50465984 (CHEMBL4278858) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(=O)Cn1cc(nn1)-c1ccc(N)cc1)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C19H23N5O8/c20-10-3-1-9(2-4-10)11-6-24(23-22-11)7-15(28)21-16-12(26)5-14(19(30)31)32-18(16)17(29)13(27)8-25/h1-6,12-13,16-18,25-27,29H,7-8,20H2,(H,21,28)(H,30,31)/t12-,13+,16+,17+,18+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of MBP-fused human NEU4 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrate addition ...				J Med Chem 61: 11261-11279 (2018) Article DOI: 10.1021/acs.jmedchem.8b01411 BindingDB Entry DOI: 10.7270/Q2GF0X5V
					More data for this Ligand-Target Pair