Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 388.8 BDBM50478579

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)	BDBM50478579 (CHEMBL372394) Show SMILES Cc1cc(O)nc(NC(=S)NC(=O)c2ccc(o2)-c2ccccc2Cl)n1 Show InChI InChI=1S/C17H13ClN4O3S/c1-9-8-14(23)20-16(19-9)22-17(26)21-15(24)13-7-6-12(25-13)10-4-2-3-5-11(10)18/h2-8H,1H3,(H3,19,20,21,22,23,24,26)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of Influenza A virus neuraminidase activity				Eur J Med Chem 43: 293-9 (2008) Article DOI: 10.1016/j.ejmech.2007.03.020 BindingDB Entry DOI: 10.7270/Q2RB77CC
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50478579 (CHEMBL372394) Show SMILES Cc1cc(O)nc(NC(=S)NC(=O)c2ccc(o2)-c2ccccc2Cl)n1 Show InChI InChI=1S/C17H13ClN4O3S/c1-9-8-14(23)20-16(19-9)22-17(26)21-15(24)13-7-6-12(25-13)10-4-2-3-5-11(10)18/h2-8H,1H3,(H3,19,20,21,22,23,24,26)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	324	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of Influenza A virus neuraminidase activity				Eur J Med Chem 43: 293-9 (2008) Article DOI: 10.1016/j.ejmech.2007.03.020 BindingDB Entry DOI: 10.7270/Q2RB77CC
					More data for this Ligand-Target Pair