BDBM4727 3-carbamimidamido-4-acetamido-5-(2-hydroxyethyl)benzoic acid::Benzoic Acid deriv. 12::beta-{[2[(N-Acetylamino)-3-[(aminoimino)methyl]amino]-5-carboxyphenyl}ethanol

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

InChI Key: InChIKey=NGOZFOCFTIIKRC-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 = 4727   

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))	BDBM4727 (3-carbamimidamido-4-acetamido-5-(2-hydroxyethyl)be...) Show SMILES [#6]-[#6](=O)-[#7]-c1c(-[#6]-[#6]-[#8])cc(cc1\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O Show InChI InChI=1S/C12H16N4O4/c1-6(18)15-10-7(2-3-17)4-8(11(19)20)5-9(10)16-12(13)14/h4-5,17H,2-3H2,1H3,(H,15,18)(H,19,20)(H4,13,14,16)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+5	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