Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for entry = 642   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Neuraminidase (Influenza A virus (N9))	BDBM4707 (3-(2,2-diaminoimino)-4-methylcarboxamidobenzoate |...) Show SMILES [#6]-[#6](=O)-[#7]-c1ccc(cc1\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O Show InChI InChI=1S/C10H12N4O3/c1-5(15)13-7-3-2-6(9(16)17)4-8(7)14-10(11)12/h2-4H,1H3,(H,13,15)(H,16,17)(H4,11,12,14)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.50E+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
					More data for this Ligand-Target Pair
Neuraminidase (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
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (N9))	BDBM4737 (4-amino-6-carbamimidamido-5-acetamidopyridine-2-ca...) Show SMILES [#6]-[#6](=O)-[#7]-c1c(-[#7])cc(nc1\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O Show InChI InChI=1S/C9H12N6O3/c1-3(16)13-6-4(10)2-5(8(17)18)14-7(6)15-9(11)12/h2H,1H3,(H,13,16)(H,17,18)(H6,10,11,12,14,15)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+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
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (N9))	BDBM4734 (5-Acetylamino-6-[(aminoiminomethyl)amino]pyridine-...) Show SMILES CC(=O)Nc1ccc(nc1N=C(N)N)C(O)=O |w:10.10| Show InChI InChI=1S/C9H11N5O3/c1-4(15)12-5-2-3-6(8(16)17)13-7(5)14-9(10)11/h2-3H,1H3,(H,12,15)(H,16,17)(H4,10,11,13,14)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+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
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (N9))	BDBM4723 (3,5-dicarbamimidamido-4-acetamidobenzoic acid | Be...) Show SMILES [#6]-[#6](=O)-[#7]-c1c(cc(cc1\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O)\[#7]=[#6](/[#7])-[#7] Show InChI InChI=1S/C11H15N7O3/c1-4(19)16-8-6(17-10(12)13)2-5(9(20)21)3-7(8)18-11(14)15/h2-3H,1H3,(H,16,19)(H,20,21)(H4,12,13,17)(H4,14,15,18)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	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
Neuraminidase (Influenza A virus (N9))	BDBM4735 (4-amino-5-acetamidopyridine-2-carboxylic acid | py...) Show SMILES CC(=O)Nc1cnc(cc1N)C(O)=O Show InChI InChI=1S/C8H9N3O3/c1-4(12)11-7-3-10-6(8(13)14)2-5(7)9/h2-3H,1H3,(H2,9,10)(H,11,12)(H,13,14)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+4	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
Neuraminidase (Influenza A virus (N9))	BDBM4729 (3-carbamimidamido-5-[(1E)-(hydroxyimino)methyl]-4-...) Show SMILES [#6]S(=O)(=O)[#7]-c1c(-[#6]-[#7]=O)cc(cc1\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O Show InChI InChI=1S/C10H13N5O5S/c1-21(19,20)15-8-6(4-13-18)2-5(9(16)17)3-7(8)14-10(11)12/h2-3,15H,4H2,1H3,(H,16,17)(H4,11,12,14)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.00E+4	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
Neuraminidase (Influenza A virus (N9))	BDBM4722 (3-carbamimidamido-4-acetamido-5-(1,2,3-trihydroxyp...) Show SMILES [#6]-[#6](=O)-[#7]-c1c(cc(cc1-[#6](-[#8])-[#6](-[#8])-[#6]-[#8])-[#6](-[#8])=O)\[#7]=[#6](/[#7])-[#7] Show InChI InChI=1S/C13H18N4O6/c1-5(19)16-10-7(11(21)9(20)4-18)2-6(12(22)23)3-8(10)17-13(14)15/h2-3,9,11,18,20-21H,4H2,1H3,(H,16,19)(H,22,23)(H4,14,15,17)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+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
Neuraminidase (Influenza A virus (N9))	BDBM4710 (3-[(Aminoiminomethyl)amino]-4-[(methylsulfonyl)ami...) Show SMILES [#6]S(=O)(=O)[#7]-c1ccc(cc1\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O Show InChI InChI=1S/C9H12N4O4S/c1-18(16,17)13-6-3-2-5(8(14)15)4-7(6)12-9(10)11/h2-4,13H,1H3,(H,14,15)(H4,10,11,12)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+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
Neuraminidase (Influenza A virus (N9))	BDBM4732 (5-Thioxoethylaminopyridine-2-carboxylic acid, hydr...) Show SMILES CC(=S)Nc1ccc(nc1)C(O)=O Show InChI InChI=1S/C8H8N2O2S/c1-5(13)10-6-2-3-7(8(11)12)9-4-6/h2-4H,1H3,(H,10,13)(H,11,12)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	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
Neuraminidase (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
Neuraminidase (Influenza A virus (N9))	BDBM4736 (4,6-diamino-5-methanesulfonamidopyridine-2-carboxy...) Show SMILES CS(=O)(=O)Nc1c(N)cc(nc1N)C(O)=O Show InChI InChI=1S/C7H10N4O4S/c1-16(14,15)11-5-3(8)2-4(7(12)13)10-6(5)9/h2,11H,1H3,(H,12,13)(H4,8,9,10)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+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
Neuraminidase (Influenza A virus (N9))	BDBM4731 (5-Acetylaminopyridine-2-carboxylic acid, sodium sa...) Show SMILES CC(=O)Nc1ccc(nc1)C(O)=O Show InChI InChI=1S/C8H8N2O3/c1-5(11)10-6-2-3-7(8(12)13)9-4-6/h2-4H,1H3,(H,10,11)(H,12,13)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE 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
Neuraminidase (Influenza A virus (N9))	BDBM4711 (3-[(1E)-(hydroxyimino)methyl]-4-methanesulfonamido...) Show SMILES CS(=O)(=O)Nc1ccc(cc1CN=O)C(O)=O Show InChI InChI=1S/C9H10N2O5S/c1-17(15,16)11-8-3-2-6(9(12)13)4-7(8)5-10-14/h2-4,11H,5H2,1H3,(H,12,13)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	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
Neuraminidase (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
Neuraminidase (Influenza A virus (N9))	BDBM4730 (5-(Methylsulfonylamino)pyridine-2-carboxylic acid ...) Show SMILES CS(=O)(=O)Nc1ccc(nc1)C(O)=O Show InChI InChI=1S/C7H8N2O4S/c1-14(12,13)9-5-2-3-6(7(10)11)8-4-5/h2-4,9H,1H3,(H,10,11)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+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
Neuraminidase (Influenza A virus (N9))	BDBM4733 (5-Acetylamino-6-aminopyridine-2-carboxylic acid | ...) Show SMILES CC(=O)Nc1ccc(nc1N)C(O)=O Show InChI InChI=1S/C8H9N3O3/c1-4(12)10-5-2-3-6(8(13)14)11-7(5)9/h2-3H,1H3,(H2,9,11)(H,10,12)(H,13,14)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+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
Neuraminidase (Influenza A virus (N9))	BDBM4708 (4-(Acetylamino)-3-[(hydroxyimino)methyl]benzoic Ac...) Show SMILES CC(=O)Nc1ccc(cc1CN=O)C(O)=O Show InChI InChI=1S/C10H10N2O4/c1-6(13)12-9-3-2-7(10(14)15)4-8(9)5-11-16/h2-4H,5H2,1H3,(H,12,13)(H,14,15)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.50E+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