BDBM4724 3,5-dicarbamimidamido-4-(pentan-3-yloxy)benzoic acid::Benzoic Acid deriv. 6c

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

InChI Key: InChIKey=WSKHOMWGSKISFR-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 = 4724   

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))	BDBM4724 (3,5-dicarbamimidamido-4-(pentan-3-yloxy)benzoic ac...) Show SMILES [#6]-[#6]-[#6](-[#6]-[#6])-[#8]-c1c(cc(cc1\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O)\[#7]=[#6](/[#7])-[#7] Show InChI InChI=1S/C14H22N6O3/c1-3-8(4-2)23-11-9(19-13(15)16)5-7(12(21)22)6-10(11)20-14(17)18/h5-6,8H,3-4H2,1-2H3,(H,21,22)(H4,15,16,19)(H4,17,18,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+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...				Bioorg Med Chem 13: 2665-78 (2005) Article DOI: 10.1016/j.bmc.2005.01.042 BindingDB Entry DOI: 10.7270/Q2SF2TD9
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