BDBM50343686 (3S,4R,5R)-4-acetamido-5-(pentan-3-yloxy)-3-(4-phenethyl-1H-1,2,3-triazol-1-yl)cyclohex-1-enecarboxylic acid::CHEMBL1773347

SMILES: CCC(CC)O[C@@H]1CC(=C[C@@H]([C@H]1NC(C)=O)n1cc(CCc2ccccc2)nn1)C(O)=O

InChI Key: InChIKey=OTTYKOWFBYUNHY-YTFSRNRJSA-N

Data: 1 KI  2 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 3 hits for monomerid = 50343686   

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
Neuraminidase (Influenza A virus)	BDBM50343686 ((3S,4R,5R)-4-acetamido-5-(pentan-3-yloxy)-3-(4-phe...) Show SMILES CCC(CC)O[C@@H]1CC(=C[C@@H]([C@H]1NC(C)=O)n1cc(CCc2ccccc2)nn1)C(O)=O |r,c:8| Show InChI InChI=1S/C24H32N4O4/c1-4-20(5-2)32-22-14-18(24(30)31)13-21(23(22)25-16(3)29)28-15-19(26-27-28)12-11-17-9-7-6-8-10-17/h6-10,13,15,20-23H,4-5,11-12,14H2,1-3H3,(H,25,29)(H,30,31)/t21-,22+,23+/m0/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition of influenza A nuraminidase N1				J Med Chem 53: 7377-91 (2010) Article DOI: 10.1021/jm100822f BindingDB Entry DOI: 10.7270/Q2S75K5B
					More data for this Ligand-Target Pair
Sialidase 3 (Homo sapiens (Human))	BDBM50343686 ((3S,4R,5R)-4-acetamido-5-(pentan-3-yloxy)-3-(4-phe...) Show SMILES CCC(CC)O[C@@H]1CC(=C[C@@H]([C@H]1NC(C)=O)n1cc(CCc2ccccc2)nn1)C(O)=O |r,c:8| Show InChI InChI=1S/C24H32N4O4/c1-4-20(5-2)32-22-14-18(24(30)31)13-21(23(22)25-16(3)29)28-15-19(26-27-28)12-11-17-9-7-6-8-10-17/h6-10,13,15,20-23H,4-5,11-12,14H2,1-3H3,(H,25,29)(H,30,31)/t21-,22+,23+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia 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 NEU3 using 4MU-NA as substrate after 1 hr by fluorescence assay				Bioorg Med Chem 19: 2817-22 (2011) Article DOI: 10.1016/j.bmc.2011.03.039 BindingDB Entry DOI: 10.7270/Q2Z31ZZV
					More data for this Ligand-Target Pair
Sialidase 4 (Homo sapiens (Human))	BDBM50343686 ((3S,4R,5R)-4-acetamido-5-(pentan-3-yloxy)-3-(4-phe...) Show SMILES CCC(CC)O[C@@H]1CC(=C[C@@H]([C@H]1NC(C)=O)n1cc(CCc2ccccc2)nn1)C(O)=O |r,c:8| Show InChI InChI=1S/C24H32N4O4/c1-4-20(5-2)32-22-14-18(24(30)31)13-21(23(22)25-16(3)29)28-15-19(26-27-28)12-11-17-9-7-6-8-10-17/h6-10,13,15,20-23H,4-5,11-12,14H2,1-3H3,(H,25,29)(H,30,31)/t21-,22+,23+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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 NEU4 using 4MU-NA as substrate after 1 hr by fluorescence assay				Bioorg Med Chem 19: 2817-22 (2011) Article DOI: 10.1016/j.bmc.2011.03.039 BindingDB Entry DOI: 10.7270/Q2Z31ZZV
					More data for this Ligand-Target Pair