BDBM50465994 CHEMBL4288490

SMILES: [H][C@]1(OC(=C[C@H](O)[C@H]1NC(=O)CCC)C(O)=O)[C@H](O)[C@H](O)CO

InChI Key: InChIKey=QMDABYTUXUBWJL-MXMUJRTHSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50465994   

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 4 (Homo sapiens (Human))	BDBM50465994 (CHEMBL4288490) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(=O)CCC)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C13H21NO8/c1-2-3-9(18)14-10-6(16)4-8(13(20)21)22-12(10)11(19)7(17)5-15/h4,6-7,10-12,15-17,19H,2-3,5H2,1H3,(H,14,18)(H,20,21)/t6-,7+,10+,11+,12+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.40E+3	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
Sialidase 2 (Homo sapiens (Human))	BDBM50465994 (CHEMBL4288490) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(=O)CCC)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C13H21NO8/c1-2-3-9(18)14-10-6(16)4-8(13(20)21)22-12(10)11(19)7(17)5-15/h4,6-7,10-12,15-17,19H,2-3,5H2,1H3,(H,14,18)(H,20,21)/t6-,7+,10+,11+,12+/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	4.00E+4	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))	BDBM50465994 (CHEMBL4288490) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(=O)CCC)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C13H21NO8/c1-2-3-9(18)14-10-6(16)4-8(13(20)21)22-12(10)11(19)7(17)5-15/h4,6-7,10-12,15-17,19H,2-3,5H2,1H3,(H,14,18)(H,20,21)/t6-,7+,10+,11+,12+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+4	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 1 (Homo sapiens (Human))	BDBM50465994 (CHEMBL4288490) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(=O)CCC)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C13H21NO8/c1-2-3-9(18)14-10-6(16)4-8(13(20)21)22-12(10)11(19)7(17)5-15/h4,6-7,10-12,15-17,19H,2-3,5H2,1H3,(H,14,18)(H,20,21)/t6-,7+,10+,11+,12+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.40E+3	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