BDBM5221 (3R,4R,5S)-5-amino-4-methanesulfonamido-3-propoxycyclohex-1-ene-1-carboxylic acid::carbocyclic analogue 14

SMILES: CCCO[C@@H]1C=C(C[C@H](N)[C@H]1NS(C)(=O)=O)C(O)=O

InChI Key: InChIKey=OEZYEYXMBIPGKG-IVZWLZJFSA-N

Data: 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 2 hits for monomerid = 5221   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Neuraminidase A (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM5221 ((3R,4R,5S)-5-amino-4-methanesulfonamido-3-propoxyc...) Show SMILES CCCO[C@@H]1C=C(C[C@H](N)[C@H]1NS(C)(=O)=O)C(O)=O Show InChI InChI=1S/C11H20N2O5S/c1-3-4-18-9-6-7(11(14)15)5-8(12)10(9)13-19(2,16)17/h6,8-10,13H,3-5,12H2,1-2H3,(H,14,15)/t8-,9+,10+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem Patents	Article	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of neuraminidase of influenza A/PR/8/34(H1N1)				Bioorg Med Chem Lett 7: 1837-1842 (1997) Article DOI: 10.1016/S0960-894X(97)00333-8 BindingDB Entry DOI: 10.7270/Q2DN45JN
					More data for this Ligand-Target Pair
Neuraminidase A (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM5221 ((3R,4R,5S)-5-amino-4-methanesulfonamido-3-propoxyc...) Show SMILES CCCO[C@@H]1C=C(C[C@H](N)[C@H]1NS(C)(=O)=O)C(O)=O Show InChI InChI=1S/C11H20N2O5S/c1-3-4-18-9-6-7(11(14)15)5-8(12)10(9)13-19(2,16)17/h6,8-10,13H,3-5,12H2,1-2H3,(H,14,15)/t8-,9+,10+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem Patents	Article	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	6.5	37
Gilead Sciences Inc					Assay Description A standard fluorimetric assay was used to measure influenza virus neuraminidase activity. The substrate 2 -(4-methylumbelliferyl)-alpha-D-acetylneura...				Bioorg Med Chem Lett 7: 1837-42 (1997) Article DOI: 10.1021/jm048989d BindingDB Entry DOI: 10.7270/Q2FX77MK
					More data for this Ligand-Target Pair