Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 665.7 BDBM50290065

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50290065 ((4S,5R,6R)-5-Acetylamino-6-(5-benzyl-1-propyl-1H-[...) Show SMILES CCCn1nc(nc1Cc1ccccc1)[C@@H]1OC(=C[C@H](NC(=O)OC(C)(C)C)[C@H]1NC(C)=O)C(=O)OC(c1ccccc1)c1ccccc1 |c:19| Show InChI InChI=1S/C38H43N5O6/c1-6-22-43-31(23-26-16-10-7-11-17-26)41-35(42-43)34-32(39-25(2)44)29(40-37(46)49-38(3,4)5)24-30(47-34)36(45)48-33(27-18-12-8-13-19-27)28-20-14-9-15-21-28/h7-21,24,29,32-34H,6,22-23H2,1-5H3,(H,39,44)(H,40,46)/t29-,32+,34+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against influenza A virus sialidase				Bioorg Med Chem Lett 7: 2239-2242 (1997) Article DOI: 10.1016/S0960-894X(97)00399-5 BindingDB Entry DOI: 10.7270/Q2RX9CKB
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Lee/40))	BDBM50290065 ((4S,5R,6R)-5-Acetylamino-6-(5-benzyl-1-propyl-1H-[...) Show SMILES CCCn1nc(nc1Cc1ccccc1)[C@@H]1OC(=C[C@H](NC(=O)OC(C)(C)C)[C@H]1NC(C)=O)C(=O)OC(c1ccccc1)c1ccccc1 |c:19| Show InChI InChI=1S/C38H43N5O6/c1-6-22-43-31(23-26-16-10-7-11-17-26)41-35(42-43)34-32(39-25(2)44)29(40-37(46)49-38(3,4)5)24-30(47-34)36(45)48-33(27-18-12-8-13-19-27)28-20-14-9-15-21-28/h7-21,24,29,32-34H,6,22-23H2,1-5H3,(H,39,44)(H,40,46)/t29-,32+,34+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>3.60E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against influenza B virus sialidase				Bioorg Med Chem Lett 7: 2239-2242 (1997) Article DOI: 10.1016/S0960-894X(97)00399-5 BindingDB Entry DOI: 10.7270/Q2RX9CKB
					More data for this Ligand-Target Pair