BDBM4728 3-(Aminoiminomethyl)amino-5-hydroxymethyl-4-(methylsulfonyl)aminobenzoic acid hydrate::3-carbamimidamido-5-(hydroxymethyl)-4-methanesulfonamidobenzoic acid::Benzoic Acid deriv. 17

SMILES: [#6]S(=O)(=O)[#7]-c1c(-[#6]-[#8])cc(cc1\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O

InChI Key: InChIKey=YPSCTIRAJKMXNW-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 4728   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Neuraminidase A (Influenza A virus (N9))	BDBM4728 (3-(Aminoiminomethyl)amino-5-hydroxymethyl-4-(methy...) Show SMILES [#6]S(=O)(=O)[#7]-c1c(-[#6]-[#8])cc(cc1\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O Show InChI InChI=1S/C10H14N4O5S/c1-20(18,19)14-8-6(4-15)2-5(9(16)17)3-7(8)13-10(11)12/h2-3,14-15H,4H2,1H3,(H,16,17)(H4,11,12,13)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+6	n/a	n/a	n/a	n/a	6.5	37
BioCryst Pharmaceuticals, 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 13: 2665-78 (2005) Article DOI: 10.1016/j.bmc.2005.01.042 BindingDB Entry DOI: 10.7270/Q2SF2TD9
					More data for this Ligand-Target Pair