BDBM50465990 CHEMBL4288030

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

InChI Key: InChIKey=ACBAMINZDGOUNA-NYMASUJMSA-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 = 50465990   

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 3 (Homo sapiens (Human))	BDBM50465990 (CHEMBL4288030) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(=O)Cn1cc(nn1)-c1ccc(cc1)C(F)(F)F)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C20H21F3N4O8/c21-20(22,23)10-3-1-9(2-4-10)11-6-27(26-25-11)7-15(31)24-16-12(29)5-14(19(33)34)35-18(16)17(32)13(30)8-28/h1-6,12-13,16-18,28-30,32H,7-8H2,(H,24,31)(H,33,34)/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	>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 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 2 (Homo sapiens (Human))	BDBM50465990 (CHEMBL4288030) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(=O)Cn1cc(nn1)-c1ccc(cc1)C(F)(F)F)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C20H21F3N4O8/c21-20(22,23)10-3-1-9(2-4-10)11-6-27(26-25-11)7-15(31)24-16-12(29)5-14(19(33)34)35-18(16)17(32)13(30)8-28/h1-6,12-13,16-18,28-30,32H,7-8H2,(H,24,31)(H,33,34)/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	5.00E+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 1 (Homo sapiens (Human))	BDBM50465990 (CHEMBL4288030) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(=O)Cn1cc(nn1)-c1ccc(cc1)C(F)(F)F)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C20H21F3N4O8/c21-20(22,23)10-3-1-9(2-4-10)11-6-27(26-25-11)7-15(31)24-16-12(29)5-14(19(33)34)35-18(16)17(32)13(30)8-28/h1-6,12-13,16-18,28-30,32H,7-8H2,(H,24,31)(H,33,34)/t12-,13+,16+,17+,18+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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 4 (Homo sapiens (Human))	BDBM50465990 (CHEMBL4288030) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(=O)Cn1cc(nn1)-c1ccc(cc1)C(F)(F)F)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C20H21F3N4O8/c21-20(22,23)10-3-1-9(2-4-10)11-6-27(26-25-11)7-15(31)24-16-12(29)5-14(19(33)34)35-18(16)17(32)13(30)8-28/h1-6,12-13,16-18,28-30,32H,7-8H2,(H,24,31)(H,33,34)/t12-,13+,16+,17+,18+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	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 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