BDBM4714 3-[(Aminoiminomethyl)amino]-4-(aminosulfonyl)benzoic Acid::3-carbamimidamido-4-sulfamoylbenzoic acid::Benzoic Acid deriv. 164

SMILES: [#7]\[#6](-[#7])=[#7]/c1cc(ccc1S([#7])(=O)=O)-[#6](-[#8])=O

InChI Key: InChIKey=LJWMYHLAWOGKHN-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 = 4714   

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))	BDBM4714 (3-[(Aminoiminomethyl)amino]-4-(aminosulfonyl)benzo...) Show SMILES [#7]\[#6](-[#7])=[#7]/c1cc(ccc1S([#7])(=O)=O)-[#6](-[#8])=O Show InChI InChI=1S/C8H10N4O4S/c9-8(10)12-5-3-4(7(13)14)1-2-6(5)17(11,15)16/h1-3H,(H,13,14)(H4,9,10,12)(H2,11,15,16)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.00E+3	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...				J Med Chem 40: 4030-52 (1997) Article DOI: 10.1021/jm970479e BindingDB Entry DOI: 10.7270/Q2X63K41
					More data for this Ligand-Target Pair