Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 378.4 BDBM50476557

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)	BDBM50476557 (CHEMBL392772) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1C[C@H](O)C[C@H]1C(O)=O Show InChI InChI=1S/C19H26N2O6/c1-19(2,3)27-18(26)20-14(9-12-7-5-4-6-8-12)16(23)21-11-13(22)10-15(21)17(24)25/h4-8,13-15,22H,9-11H2,1-3H3,(H,20,26)(H,24,25)/t13-,14+,15+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.85E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus type A H3N2 neuraminidase				Bioorg Med Chem 15: 2749-58 (2007) Article DOI: 10.1016/j.bmc.2007.01.020 BindingDB Entry DOI: 10.7270/Q29Z97PB
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50476557 (CHEMBL392772) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1C[C@H](O)C[C@H]1C(O)=O Show InChI InChI=1S/C19H26N2O6/c1-19(2,3)27-18(26)20-14(9-12-7-5-4-6-8-12)16(23)21-11-13(22)10-15(21)17(24)25/h4-8,13-15,22H,9-11H2,1-3H3,(H,20,26)(H,24,25)/t13-,14+,15+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.85E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus type A H3N2 neuraminidase				Bioorg Med Chem 15: 2749-58 (2007) Article DOI: 10.1016/j.bmc.2007.01.020 BindingDB Entry DOI: 10.7270/Q29Z97PB
					More data for this Ligand-Target Pair