null

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

InChI Key: InChIKey=UGMXAWNSEGCBBB-APQLOABGSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50270452   

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))	BDBM50270452 (CHEMBL4080360) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)Cn1cc(nn1)-c1ccc(cc1)N(C)C |r,c:3| Show InChI InChI=1S/C21H27N5O7/c1-11(27)22-18-15(28)8-17(21(31)32)33-20(18)19(30)16(29)10-26-9-14(23-24-26)12-4-6-13(7-5-12)25(2)3/h4-9,15-16,18-20,28-30H,10H2,1-3H3,(H,22,27)(H,31,32)/t15-,16+,18+,19+,20+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human CathA-IRES-6His-tagged NEU1 expressed in HEK293T cells using 4MU-NANA as substrate preincubated for 15 mins followed by substrate...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair
Sialidase-3 (Homo sapiens (Human))	BDBM50270452 (CHEMBL4080360) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)Cn1cc(nn1)-c1ccc(cc1)N(C)C |r,c:3| Show InChI InChI=1S/C21H27N5O7/c1-11(27)22-18-15(28)8-17(21(31)32)33-20(18)19(30)16(29)10-26-9-14(23-24-26)12-4-6-13(7-5-12)25(2)3/h4-9,15-16,18-20,28-30H,10H2,1-3H3,(H,22,27)(H,31,32)/t15-,16+,18+,19+,20+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human N-terminal MBP-fused NEU3 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair
Sialidase-2 (Homo sapiens (Human))	BDBM50270452 (CHEMBL4080360) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)Cn1cc(nn1)-c1ccc(cc1)N(C)C |r,c:3| Show InChI InChI=1S/C21H27N5O7/c1-11(27)22-18-15(28)8-17(21(31)32)33-20(18)19(30)16(29)10-26-9-14(23-24-26)12-4-6-13(7-5-12)25(2)3/h4-9,15-16,18-20,28-30H,10H2,1-3H3,(H,22,27)(H,31,32)/t15-,16+,18+,19+,20+/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	2.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human N-terminal MBP-fused NEU2 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair
Sialidase-4 (Homo sapiens (Human))	BDBM50270452 (CHEMBL4080360) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)Cn1cc(nn1)-c1ccc(cc1)N(C)C |r,c:3| Show InChI InChI=1S/C21H27N5O7/c1-11(27)22-18-15(28)8-17(21(31)32)33-20(18)19(30)16(29)10-26-9-14(23-24-26)12-4-6-13(7-5-12)25(2)3/h4-9,15-16,18-20,28-30H,10H2,1-3H3,(H,22,27)(H,31,32)/t15-,16+,18+,19+,20+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human N-terminal MBP-fused NEU4 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair