Compile Data Set for Download or QSAR

Found 32 hits Enz. Inhib. hit(s) with all data for entry = 708   

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 (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM4994 ((3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)c...) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C14H24N2O4/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17/h7,10-13H,4-6,15H2,1-3H3,(H,16,17)(H,18,19)/t11-,12+,13+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	6.5	37
Gilead Sciences 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 Lett 8: 3321-4 (1998) Article DOI: 10.1016/s0960-894x(98)00587-3 BindingDB Entry DOI: 10.7270/Q2B56GXM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuraminidase (Influenza B virus (B/Lee/40))	BDBM4994 ((3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)c...) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C14H24N2O4/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17/h7,10-13H,4-6,15H2,1-3H3,(H,16,17)(H,18,19)/t11-,12+,13+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences 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 Lett 8: 3321-4 (1998) Article DOI: 10.1016/s0960-894x(98)00587-3 BindingDB Entry DOI: 10.7270/Q2B56GXM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM5227 ((3R,4R,5S)-5-amino-4-acetamido-3-[methyl(pentan-3-...) Show SMILES CCC(CC)N(C)[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:8| Show InChI InChI=1S/C15H27N3O3/c1-5-11(6-2)18(4)13-8-10(15(20)21)7-12(16)14(13)17-9(3)19/h8,11-14H,5-7,16H2,1-4H3,(H,17,19)(H,20,21)/t12-,13+,14+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	6.5	37
Gilead Sciences 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 Lett 8: 3321-4 (1998) Article DOI: 10.1016/s0960-894x(98)00587-3 BindingDB Entry DOI: 10.7270/Q2B56GXM
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM5234 ((3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-ylamino...) Show SMILES CCC(CC)N[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C14H25N3O3/c1-4-10(5-2)17-12-7-9(14(19)20)6-11(15)13(12)16-8(3)18/h7,10-13,17H,4-6,15H2,1-3H3,(H,16,18)(H,19,20)/t11-,12+,13+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	6.5	37
Gilead Sciences 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 Lett 8: 3321-4 (1998) Article DOI: 10.1016/s0960-894x(98)00587-3 BindingDB Entry DOI: 10.7270/Q2B56GXM
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM5232 ((3R,4R,5S)-5-amino-3-(dipropylamino)-4-acetamidocy...) Show SMILES CCCN(CCC)[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:8| Show InChI InChI=1S/C15H27N3O3/c1-4-6-18(7-5-2)13-9-11(15(20)21)8-12(16)14(13)17-10(3)19/h9,12-14H,4-8,16H2,1-3H3,(H,17,19)(H,20,21)/t12-,13+,14+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	6.5	37
Gilead Sciences 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 Lett 8: 3321-4 (1998) Article DOI: 10.1016/s0960-894x(98)00587-3 BindingDB Entry DOI: 10.7270/Q2B56GXM
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Lee/40))	BDBM5232 ((3R,4R,5S)-5-amino-3-(dipropylamino)-4-acetamidocy...) Show SMILES CCCN(CCC)[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:8| Show InChI InChI=1S/C15H27N3O3/c1-4-6-18(7-5-2)13-9-11(15(20)21)8-12(16)14(13)17-10(3)19/h9,12-14H,4-8,16H2,1-3H3,(H,17,19)(H,20,21)/t12-,13+,14+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences 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 Lett 8: 3321-4 (1998) Article DOI: 10.1016/s0960-894x(98)00587-3 BindingDB Entry DOI: 10.7270/Q2B56GXM
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Lee/40))	BDBM5227 ((3R,4R,5S)-5-amino-4-acetamido-3-[methyl(pentan-3-...) Show SMILES CCC(CC)N(C)[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:8| Show InChI InChI=1S/C15H27N3O3/c1-5-11(6-2)18(4)13-8-10(15(20)21)7-12(16)14(13)17-9(3)19/h8,11-14H,5-7,16H2,1-4H3,(H,17,19)(H,20,21)/t12-,13+,14+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	6.5	37
Gilead Sciences 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 Lett 8: 3321-4 (1998) Article DOI: 10.1016/s0960-894x(98)00587-3 BindingDB Entry DOI: 10.7270/Q2B56GXM
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Lee/40))	BDBM5225 ((3R,4R,5S)-5-amino-4-acetamido-3-[methyl(propyl)am...) Show SMILES CCCN(C)[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:6| Show InChI InChI=1S/C13H23N3O3/c1-4-5-16(3)11-7-9(13(18)19)6-10(14)12(11)15-8(2)17/h7,10-12H,4-6,14H2,1-3H3,(H,15,17)(H,18,19)/t10-,11+,12+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	6.5	37
Gilead Sciences 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 Lett 8: 3321-4 (1998) Article DOI: 10.1016/s0960-894x(98)00587-3 BindingDB Entry DOI: 10.7270/Q2B56GXM
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM5225 ((3R,4R,5S)-5-amino-4-acetamido-3-[methyl(propyl)am...) Show SMILES CCCN(C)[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:6| Show InChI InChI=1S/C13H23N3O3/c1-4-5-16(3)11-7-9(13(18)19)6-10(14)12(11)15-8(2)17/h7,10-12H,4-6,14H2,1-3H3,(H,15,17)(H,18,19)/t10-,11+,12+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	6.5	37
Gilead Sciences 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 Lett 8: 3321-4 (1998) Article DOI: 10.1016/s0960-894x(98)00587-3 BindingDB Entry DOI: 10.7270/Q2B56GXM
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM5231 ((3R,4R,5S)-5-amino-3-[butyl(ethyl)amino]-4-acetami...) Show SMILES CCCCN(CC)[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:8| Show InChI InChI=1S/C15H27N3O3/c1-4-6-7-18(5-2)13-9-11(15(20)21)8-12(16)14(13)17-10(3)19/h9,12-14H,4-8,16H2,1-3H3,(H,17,19)(H,20,21)/t12-,13+,14+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	6.5	37
Gilead Sciences 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 Lett 8: 3321-4 (1998) Article DOI: 10.1016/s0960-894x(98)00587-3 BindingDB Entry DOI: 10.7270/Q2B56GXM
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM5230 ((3R,4R,5S)-5-amino-4-acetamido-3-[ethyl(propyl)ami...) Show SMILES CCCN(CC)[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C14H25N3O3/c1-4-6-17(5-2)12-8-10(14(19)20)7-11(15)13(12)16-9(3)18/h8,11-13H,4-7,15H2,1-3H3,(H,16,18)(H,19,20)/t11-,12+,13+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	6.5	37
Gilead Sciences 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 Lett 8: 3321-4 (1998) Article DOI: 10.1016/s0960-894x(98)00587-3 BindingDB Entry DOI: 10.7270/Q2B56GXM
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Lee/40))	BDBM5234 ((3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-ylamino...) Show SMILES CCC(CC)N[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C14H25N3O3/c1-4-10(5-2)17-12-7-9(14(19)20)6-11(15)13(12)16-8(3)18/h7,10-13,17H,4-6,15H2,1-3H3,(H,16,18)(H,19,20)/t11-,12+,13+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences 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 Lett 8: 3321-4 (1998) Article DOI: 10.1016/s0960-894x(98)00587-3 BindingDB Entry DOI: 10.7270/Q2B56GXM
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM5228 ((3R,4R,5S)-5-amino-4-acetamido-3-[methyl(2-phenyle...) Show SMILES CN(CCc1ccccc1)[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:12| Show InChI InChI=1S/C18H25N3O3/c1-12(22)20-17-15(19)10-14(18(23)24)11-16(17)21(2)9-8-13-6-4-3-5-7-13/h3-7,11,15-17H,8-10,19H2,1-2H3,(H,20,22)(H,23,24)/t15-,16+,17+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	6.5	37
Gilead Sciences 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 Lett 8: 3321-4 (1998) Article DOI: 10.1016/s0960-894x(98)00587-3 BindingDB Entry DOI: 10.7270/Q2B56GXM
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM4983 ((3R,4R,5S)-5-amino-4-acetamido-3-propoxycyclohex-1...) Show SMILES CCCO[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:5| Show InChI InChI=1S/C12H20N2O4/c1-3-4-18-10-6-8(12(16)17)5-9(13)11(10)14-7(2)15/h6,9-11H,3-5,13H2,1-2H3,(H,14,15)(H,16,17)/t9-,10+,11+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences 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 Lett 8: 3321-4 (1998) Article DOI: 10.1016/s0960-894x(98)00587-3 BindingDB Entry DOI: 10.7270/Q2B56GXM
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Lee/40))	BDBM5231 ((3R,4R,5S)-5-amino-3-[butyl(ethyl)amino]-4-acetami...) Show SMILES CCCCN(CC)[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:8| Show InChI InChI=1S/C15H27N3O3/c1-4-6-7-18(5-2)13-9-11(15(20)21)8-12(16)14(13)17-10(3)19/h9,12-14H,4-8,16H2,1-3H3,(H,17,19)(H,20,21)/t12-,13+,14+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	175	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences 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 Lett 8: 3321-4 (1998) Article DOI: 10.1016/s0960-894x(98)00587-3 BindingDB Entry DOI: 10.7270/Q2B56GXM
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM5226 ((3R,4R,5S)-5-amino-3-[butyl(methyl)amino]-4-acetam...) Show SMILES CCCCN(C)[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C14H25N3O3/c1-4-5-6-17(3)12-8-10(14(19)20)7-11(15)13(12)16-9(2)18/h8,11-13H,4-7,15H2,1-3H3,(H,16,18)(H,19,20)/t11-,12+,13+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	6.5	37
Gilead Sciences 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 Lett 8: 3321-4 (1998) Article DOI: 10.1016/s0960-894x(98)00587-3 BindingDB Entry DOI: 10.7270/Q2B56GXM
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM5233 ((3R,4R,5S)-5-amino-4-acetamido-3-(propylamino)cycl...) Show SMILES CCCN[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:5| Show InChI InChI=1S/C12H21N3O3/c1-3-4-14-10-6-8(12(17)18)5-9(13)11(10)15-7(2)16/h6,9-11,14H,3-5,13H2,1-2H3,(H,15,16)(H,17,18)/t9-,10+,11+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	6.5	37
Gilead Sciences 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 Lett 8: 3321-4 (1998) Article DOI: 10.1016/s0960-894x(98)00587-3 BindingDB Entry DOI: 10.7270/Q2B56GXM
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM5229 ((3R,4R,5S)-5-amino-3-[cyclohexyl(methyl)amino]-4-a...) Show SMILES CN(C1CCCCC1)[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:10| Show InChI InChI=1S/C16H27N3O3/c1-10(20)18-15-13(17)8-11(16(21)22)9-14(15)19(2)12-6-4-3-5-7-12/h9,12-15H,3-8,17H2,1-2H3,(H,18,20)(H,21,22)/t13-,14+,15+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	6.5	37
Gilead Sciences 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 Lett 8: 3321-4 (1998) Article DOI: 10.1016/s0960-894x(98)00587-3 BindingDB Entry DOI: 10.7270/Q2B56GXM
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM5238 ((3R,4R,5S)-5-amino-4-acetamido-3-(propylsulfanyl)c...) Show SMILES CCCS[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:5| Show InChI InChI=1S/C12H20N2O3S/c1-3-4-18-10-6-8(12(16)17)5-9(13)11(10)14-7(2)15/h6,9-11H,3-5,13H2,1-2H3,(H,14,15)(H,16,17)/t9-,10+,11+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	212	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences 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 Lett 8: 3321-4 (1998) Article DOI: 10.1016/s0960-894x(98)00587-3 BindingDB Entry DOI: 10.7270/Q2B56GXM
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM5242 ((3R,4S,5S)-5-amino-3-butyl-4-acetamidocyclohex-1-e...) Show SMILES CCCC[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:5| Show InChI InChI=1S/C13H22N2O3/c1-3-4-5-9-6-10(13(17)18)7-11(14)12(9)15-8(2)16/h6,9,11-12H,3-5,7,14H2,1-2H3,(H,15,16)(H,17,18)/t9-,11+,12+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences 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 Lett 8: 3321-4 (1998) Article DOI: 10.1016/s0960-894x(98)00587-3 BindingDB Entry DOI: 10.7270/Q2B56GXM
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Lee/40))	BDBM5233 ((3R,4R,5S)-5-amino-4-acetamido-3-(propylamino)cycl...) Show SMILES CCCN[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:5| Show InChI InChI=1S/C12H21N3O3/c1-3-4-14-10-6-8(12(17)18)5-9(13)11(10)15-7(2)16/h6,9-11,14H,3-5,13H2,1-2H3,(H,15,16)(H,17,18)/t9-,10+,11+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences 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 Lett 8: 3321-4 (1998) Article DOI: 10.1016/s0960-894x(98)00587-3 BindingDB Entry DOI: 10.7270/Q2B56GXM
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Lee/40))	BDBM5235 ((3R,4R,5S)-5-amino-4-acetamido-3-propanamidocycloh...) Show SMILES CCC(=O)N[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:6| Show InChI InChI=1S/C12H19N3O4/c1-3-10(17)15-9-5-7(12(18)19)4-8(13)11(9)14-6(2)16/h5,8-9,11H,3-4,13H2,1-2H3,(H,14,16)(H,15,17)(H,18,19)/t8-,9+,11+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences 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 Lett 8: 3321-4 (1998) Article DOI: 10.1016/s0960-894x(98)00587-3 BindingDB Entry DOI: 10.7270/Q2B56GXM
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Lee/40))	BDBM5228 ((3R,4R,5S)-5-amino-4-acetamido-3-[methyl(2-phenyle...) Show SMILES CN(CCc1ccccc1)[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:12| Show InChI InChI=1S/C18H25N3O3/c1-12(22)20-17-15(19)10-14(18(23)24)11-16(17)21(2)9-8-13-6-4-3-5-7-13/h3-7,11,15-17H,8-10,19H2,1-2H3,(H,20,22)(H,23,24)/t15-,16+,17+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	565	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences 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 Lett 8: 3321-4 (1998) Article DOI: 10.1016/s0960-894x(98)00587-3 BindingDB Entry DOI: 10.7270/Q2B56GXM
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Lee/40))	BDBM5229 ((3R,4R,5S)-5-amino-3-[cyclohexyl(methyl)amino]-4-a...) Show SMILES CN(C1CCCCC1)[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:10| Show InChI InChI=1S/C16H27N3O3/c1-10(20)18-15-13(17)8-11(16(21)22)9-14(15)19(2)12-6-4-3-5-7-12/h9,12-15H,3-8,17H2,1-2H3,(H,18,20)(H,21,22)/t13-,14+,15+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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	n/a	n/a
Gilead Sciences 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 Lett 8: 3321-4 (1998) Article DOI: 10.1016/s0960-894x(98)00587-3 BindingDB Entry DOI: 10.7270/Q2B56GXM
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Lee/40))	BDBM5236 ((3R,4R,5S)-5-amino-4-acetamido-3-(2-methylpropanam...) Show SMILES CC(C)C(=O)N[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C13H21N3O4/c1-6(2)12(18)16-10-5-8(13(19)20)4-9(14)11(10)15-7(3)17/h5-6,9-11H,4,14H2,1-3H3,(H,15,17)(H,16,18)(H,19,20)/t9-,10+,11+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences 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 Lett 8: 3321-4 (1998) Article DOI: 10.1016/s0960-894x(98)00587-3 BindingDB Entry DOI: 10.7270/Q2B56GXM
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM5014 ((3R,4R,5S)-5-amino-4-acetamido-2-methyl-3-(pentan-...) Show SMILES CCC(CC)O[C@H]1[C@H](NC(C)=O)[C@@H](N)CC(C(O)=O)=C1C |r,c:18| Show InChI InChI=1S/C15H26N2O4/c1-5-10(6-2)21-14-8(3)11(15(19)20)7-12(16)13(14)17-9(4)18/h10,12-14H,5-7,16H2,1-4H3,(H,17,18)(H,19,20)/t12-,13+,14+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences 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 Lett 8: 3321-4 (1998) Article DOI: 10.1016/s0960-894x(98)00587-3 BindingDB Entry DOI: 10.7270/Q2B56GXM
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM5235 ((3R,4R,5S)-5-amino-4-acetamido-3-propanamidocycloh...) Show SMILES CCC(=O)N[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:6| Show InChI InChI=1S/C12H19N3O4/c1-3-10(17)15-9-5-7(12(18)19)4-8(13)11(9)14-6(2)16/h5,8-9,11H,3-4,13H2,1-2H3,(H,14,16)(H,15,17)(H,18,19)/t8-,9+,11+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	6.5	37
Gilead Sciences 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 Lett 8: 3321-4 (1998) Article DOI: 10.1016/s0960-894x(98)00587-3 BindingDB Entry DOI: 10.7270/Q2B56GXM
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM5239 ((3S,4R,5S)-5-amino-2-chloro-4-acetamido-3-(pentan-...) Show SMILES CCC(CC)O[C@H]1[C@H](NC(C)=O)[C@@H](N)CC(C(O)=O)=C1Cl |r,c:18| Show InChI InChI=1S/C14H23ClN2O4/c1-4-8(5-2)21-13-11(15)9(14(19)20)6-10(16)12(13)17-7(3)18/h8,10,12-13H,4-6,16H2,1-3H3,(H,17,18)(H,19,20)/t10-,12+,13+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences 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 Lett 8: 3321-4 (1998) Article DOI: 10.1016/s0960-894x(98)00587-3 BindingDB Entry DOI: 10.7270/Q2B56GXM
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Lee/40))	BDBM5237 ((3R,4R,5S)-5-amino-4-acetamido-3-(2-ethylbutanamid...) Show SMILES CCC(CC)C(=O)N[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:9| Show InChI InChI=1S/C15H25N3O4/c1-4-9(5-2)14(20)18-12-7-10(15(21)22)6-11(16)13(12)17-8(3)19/h7,9,11-13H,4-6,16H2,1-3H3,(H,17,19)(H,18,20)(H,21,22)/t11-,12+,13+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences 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 Lett 8: 3321-4 (1998) Article DOI: 10.1016/s0960-894x(98)00587-3 BindingDB Entry DOI: 10.7270/Q2B56GXM
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM5240 ((3S,4R,5S)-5-amino-4-acetamido-2-(methylsulfanyl)-...) Show SMILES CCC(CC)O[C@H]1[C@H](NC(C)=O)[C@@H](N)CC(C(O)=O)=C1SC |r,c:18| Show InChI InChI=1S/C15H26N2O4S/c1-5-9(6-2)21-13-12(17-8(3)18)11(16)7-10(15(19)20)14(13)22-4/h9,11-13H,5-7,16H2,1-4H3,(H,17,18)(H,19,20)/t11-,12+,13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences 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 Lett 8: 3321-4 (1998) Article DOI: 10.1016/s0960-894x(98)00587-3 BindingDB Entry DOI: 10.7270/Q2B56GXM
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM5237 ((3R,4R,5S)-5-amino-4-acetamido-3-(2-ethylbutanamid...) Show SMILES CCC(CC)C(=O)N[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:9| Show InChI InChI=1S/C15H25N3O4/c1-4-9(5-2)14(20)18-12-7-10(15(21)22)6-11(16)13(12)17-8(3)19/h7,9,11-13H,4-6,16H2,1-3H3,(H,17,19)(H,18,20)(H,21,22)/t11-,12+,13+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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
Gilead Sciences 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 Lett 8: 3321-4 (1998) Article DOI: 10.1016/s0960-894x(98)00587-3 BindingDB Entry DOI: 10.7270/Q2B56GXM
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM5236 ((3R,4R,5S)-5-amino-4-acetamido-3-(2-methylpropanam...) Show SMILES CC(C)C(=O)N[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C13H21N3O4/c1-6(2)12(18)16-10-5-8(13(19)20)4-9(14)11(10)15-7(3)17/h5-6,9-11H,4,14H2,1-3H3,(H,15,17)(H,16,18)(H,19,20)/t9-,10+,11+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a	6.5	37
Gilead Sciences 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 Lett 8: 3321-4 (1998) Article DOI: 10.1016/s0960-894x(98)00587-3 BindingDB Entry DOI: 10.7270/Q2B56GXM
					More data for this Ligand-Target Pair