Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 324.3 BDBM50290062

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(...)	BDBM50290062 ((4S,5R,6R)-5-Acetylamino-4-amino-6-(3-butyl-[1,2,4...) Show SMILES CCCCc1noc(n1)[C@@H]1OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O |c:12| Show InChI InChI=1S/C14H20N4O5/c1-3-4-5-10-17-13(23-18-10)12-11(16-7(2)19)8(15)6-9(22-12)14(20)21/h6,8,11-12H,3-5,15H2,1-2H3,(H,16,19)(H,20,21)/t8-,11+,12+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	5.60E+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))	BDBM50290062 ((4S,5R,6R)-5-Acetylamino-4-amino-6-(3-butyl-[1,2,4...) Show SMILES CCCCc1noc(n1)[C@@H]1OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O |c:12| Show InChI InChI=1S/C14H20N4O5/c1-3-4-5-10-17-13(23-18-10)12-11(16-7(2)19)8(15)6-9(22-12)14(20)21/h6,8,11-12H,3-5,15H2,1-2H3,(H,16,19)(H,20,21)/t8-,11+,12+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.10E+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