BDBM5272 3-carbamimidamido-4-acetamido-5-(pentan-3-yloxy)benzoic acid::4-(N-Acetylamino)-5-guanidino-3-(3-pentyloxy)benzoic acid::Benzoic Acid Inhibitor 11

SMILES: [#6]-[#6]-[#6](-[#6]-[#6])-[#8]-c1cc(cc(\[#7]=[#6](/[#7])-[#7])c1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O

InChI Key: InChIKey=HQOAVBKODPFMHI-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 5272   

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))	BDBM5272 (3-carbamimidamido-4-acetamido-5-(pentan-3-yloxy)be...) Show SMILES [#6]-[#6]-[#6](-[#6]-[#6])-[#8]-c1cc(cc(\[#7]=[#6](/[#7])-[#7])c1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O Show InChI InChI=1S/C15H22N4O4/c1-4-10(5-2)23-12-7-9(14(21)22)6-11(19-15(16)17)13(12)18-8(3)20/h6-7,10H,4-5H2,1-3H3,(H,18,20)(H,21,22)(H4,16,17,19)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	6.5	37
University of Alabama at Birmingham					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 7: 2487-97 (1999) Article DOI: 10.1016/s0968-0896(99)00197-2 BindingDB Entry DOI: 10.7270/Q2Z036CV
					More data for this Ligand-Target Pair
Neuraminidase B (Influenza B virus (B/Lee/40))	BDBM5272 (3-carbamimidamido-4-acetamido-5-(pentan-3-yloxy)be...) Show SMILES [#6]-[#6]-[#6](-[#6]-[#6])-[#8]-c1cc(cc(\[#7]=[#6](/[#7])-[#7])c1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O Show InChI InChI=1S/C15H22N4O4/c1-4-10(5-2)23-12-7-9(14(21)22)6-11(19-15(16)17)13(12)18-8(3)20/h6-7,10H,4-5H2,1-3H3,(H,18,20)(H,21,22)(H4,16,17,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+5	n/a	n/a	n/a	n/a	6.5	37
University of Alabama at Birmingham					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 Lett 9: 1901-6 (1999) Article DOI: 10.1016/s0960-894x(99)00318-2 BindingDB Entry DOI: 10.7270/Q2T72FN4
					More data for this Ligand-Target Pair
Neuraminidase A (Influenza A virus (A/Singapore/1/57(H2N2)))	BDBM5272 (3-carbamimidamido-4-acetamido-5-(pentan-3-yloxy)be...) Show SMILES [#6]-[#6]-[#6](-[#6]-[#6])-[#8]-c1cc(cc(\[#7]=[#6](/[#7])-[#7])c1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O Show InChI InChI=1S/C15H22N4O4/c1-4-10(5-2)23-12-7-9(14(21)22)6-11(19-15(16)17)13(12)18-8(3)20/h6-7,10H,4-5H2,1-3H3,(H,18,20)(H,21,22)(H4,16,17,19)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	6.5	37
University of Alabama at Birmingham					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 7: 2487-97 (1999) Article DOI: 10.1016/s0968-0896(99)00197-2 BindingDB Entry DOI: 10.7270/Q2Z036CV
					More data for this Ligand-Target Pair