Compile Data Set for Download or QSAR

Found 30 hits of ki for UniProtKB: P03474   

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 (Influenza B virus (B/Lee/40))	BDBM50330326 ((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...) Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H]-1-[#6@H](-[#6]=[#6](-[#8]-[#6@H]-1-[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8])-[#6](-[#8])=O)\[#7]=[#6](\[#7])-[#7] |r,c:6| Show InChI InChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,8+,9+,10+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of influenza B/Memphis/3/89 neuraminidase				Bioorg Med Chem Lett 18: 1692-5 (2008) Article DOI: 10.1016/j.bmcl.2008.01.048 BindingDB Entry DOI: 10.7270/Q2WW7JHN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuraminidase (Influenza B virus (B/Lee/40))	BDBM50371257 (A-315675 | CHEMBL473062) Show SMILES CCC[C@](C)(OC)[C@H](NC(C)=O)[C@@H]1N[C@H](C[C@H]1\C=C/C)C(O)=O |r| Show InChI InChI=1S/C17H30N2O4/c1-6-8-12-10-13(16(21)22)19-14(12)15(18-11(3)20)17(4,23-5)9-7-2/h6,8,12-15,19H,7,9-10H2,1-5H3,(H,18,20)(H,21,22)/b8-6-/t12-,13-,14-,15-,17+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of influenza B/Memphis/3/89 neuraminidase				Bioorg Med Chem Lett 18: 1692-5 (2008) Article DOI: 10.1016/j.bmcl.2008.01.048 BindingDB Entry DOI: 10.7270/Q2WW7JHN
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Lee/40))	BDBM50233737 ((2R,4S,5R)-5-((R)-acetamido((S,Z)-2,3,4,7-tetrahyd...) Show SMILES C\C=C/[C@@H]1C[C@@H](N[C@H]1[C@@H](NC(C)=O)[C@@H]1CCC=CCO1)C(O)=O |c:17| Show InChI InChI=1S/C17H26N2O4/c1-3-7-12-10-13(17(21)22)19-15(12)16(18-11(2)20)14-8-5-4-6-9-23-14/h3-4,6-7,12-16,19H,5,8-10H2,1-2H3,(H,18,20)(H,21,22)/b7-3-/t12-,13-,14+,15-,16+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of influenza B/Memphis/3/89 neuraminidase				Bioorg Med Chem Lett 18: 1692-5 (2008) Article DOI: 10.1016/j.bmcl.2008.01.048 BindingDB Entry DOI: 10.7270/Q2WW7JHN
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Lee/40))	BDBM50233728 ((2R,4S,5R)-5-((1R,2S)-1-acetamido-2-methoxybut-3-e...) Show SMILES CO[C@@H](C=C)[C@H](NC(C)=O)[C@@H]1N[C@H](C[C@H]1\C=C/C)C(O)=O Show InChI InChI=1S/C15H24N2O4/c1-5-7-10-8-11(15(19)20)17-13(10)14(16-9(3)18)12(6-2)21-4/h5-7,10-14,17H,2,8H2,1,3-4H3,(H,16,18)(H,19,20)/b7-5-/t10-,11-,12+,13-,14+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of influenza B/Memphis/3/89 neuraminidase				Bioorg Med Chem Lett 18: 1692-5 (2008) Article DOI: 10.1016/j.bmcl.2008.01.048 BindingDB Entry DOI: 10.7270/Q2WW7JHN
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Lee/40))	BDBM50233741 ((2R,4S,5R)-5-((1R,2S)-1-acetamido-2-methoxypent-4-...) Show SMILES CO[C@@H](CC=C)[C@H](NC(C)=O)[C@@H]1N[C@H](C[C@H]1\C=C/C)C(O)=O Show InChI InChI=1S/C16H26N2O4/c1-5-7-11-9-12(16(20)21)18-14(11)15(17-10(3)19)13(22-4)8-6-2/h5-7,11-15,18H,2,8-9H2,1,3-4H3,(H,17,19)(H,20,21)/b7-5-/t11-,12-,13+,14-,15+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of influenza B/Memphis/3/89 neuraminidase				Bioorg Med Chem Lett 18: 1692-5 (2008) Article DOI: 10.1016/j.bmcl.2008.01.048 BindingDB Entry DOI: 10.7270/Q2WW7JHN
					More data for this Ligand-Target Pair
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	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of influenza B/Memphis/3/89 neuraminidase				Bioorg Med Chem Lett 18: 1692-5 (2008) Article DOI: 10.1016/j.bmcl.2008.01.048 BindingDB Entry DOI: 10.7270/Q2WW7JHN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuraminidase (Influenza B virus (B/Lee/40))	BDBM50233723 ((2R,4S,5R)-5-((1R,2R)-1-acetamido-2-hydroxy-2-meth...) Show SMILES CCC[C@@](C)(O)[C@H](NC(C)=O)[C@@H]1N[C@H](C[C@H]1\C=C/C)C(O)=O Show InChI InChI=1S/C16H28N2O4/c1-5-7-11-9-12(15(20)21)18-13(11)14(17-10(3)19)16(4,22)8-6-2/h5,7,11-14,18,22H,6,8-9H2,1-4H3,(H,17,19)(H,20,21)/b7-5-/t11-,12-,13-,14-,16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of influenza B/Memphis/3/89 neuraminidase				Bioorg Med Chem Lett 18: 1692-5 (2008) Article DOI: 10.1016/j.bmcl.2008.01.048 BindingDB Entry DOI: 10.7270/Q2WW7JHN
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Lee/40))	BDBM50233724 ((2R,4S,5R)-5-((1R,2S)-1-acetamido-2-hydroxypentyl)...) Show SMILES CCC[C@H](O)[C@H](NC(C)=O)[C@@H]1N[C@H](C[C@H]1\C=C/C)C(O)=O Show InChI InChI=1S/C15H26N2O4/c1-4-6-10-8-11(15(20)21)17-13(10)14(16-9(3)18)12(19)7-5-2/h4,6,10-14,17,19H,5,7-8H2,1-3H3,(H,16,18)(H,20,21)/b6-4-/t10-,11-,12+,13-,14+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of influenza B/Memphis/3/89 neuraminidase				Bioorg Med Chem Lett 18: 1692-5 (2008) Article DOI: 10.1016/j.bmcl.2008.01.048 BindingDB Entry DOI: 10.7270/Q2WW7JHN
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Lee/40))	BDBM50233732 ((2R,4S,5R)-5-((1R,2S)-1-acetamido-2-hydroxypent-4-...) Show SMILES C\C=C/[C@@H]1C[C@@H](N[C@H]1[C@@H](NC(C)=O)[C@@H](O)CC=C)C(O)=O Show InChI InChI=1S/C15H24N2O4/c1-4-6-10-8-11(15(20)21)17-13(10)14(16-9(3)18)12(19)7-5-2/h4-6,10-14,17,19H,2,7-8H2,1,3H3,(H,16,18)(H,20,21)/b6-4-/t10-,11-,12+,13-,14+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of influenza B/Memphis/3/89 neuraminidase				Bioorg Med Chem Lett 18: 1692-5 (2008) Article DOI: 10.1016/j.bmcl.2008.01.048 BindingDB Entry DOI: 10.7270/Q2WW7JHN
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Lee/40))	BDBM50233742 ((2R,4S,5R)-5-((1R,2S)-1-acetamido-2-hydroxybut-3-e...) Show SMILES C\C=C/[C@@H]1C[C@@H](N[C@H]1[C@@H](NC(C)=O)[C@@H](O)C=C)C(O)=O Show InChI InChI=1S/C14H22N2O4/c1-4-6-9-7-10(14(19)20)16-12(9)13(11(18)5-2)15-8(3)17/h4-6,9-13,16,18H,2,7H2,1,3H3,(H,15,17)(H,19,20)/b6-4-/t9-,10-,11+,12-,13+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of influenza B/Memphis/3/89 neuraminidase				Bioorg Med Chem Lett 18: 1692-5 (2008) Article DOI: 10.1016/j.bmcl.2008.01.048 BindingDB Entry DOI: 10.7270/Q2WW7JHN
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Lee/40))	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 KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alabama at Birmingham Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound against B/Lee/40 Influenza B Neuraminidase.				J Med Chem 42: 2332-43 (1999) Article DOI: 10.1021/jm980707k BindingDB Entry DOI: 10.7270/Q25B01NJ
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Lee/40))	BDBM50233744 ((2R,4S,5R)-5-((1R,2S)-1-acetamido-2-hydroxybutyl)-...) Show SMILES CC[C@H](O)[C@H](NC(C)=O)[C@@H]1N[C@H](C[C@H]1\C=C/C)C(O)=O Show InChI InChI=1S/C14H24N2O4/c1-4-6-9-7-10(14(19)20)16-12(9)13(11(18)5-2)15-8(3)17/h4,6,9-13,16,18H,5,7H2,1-3H3,(H,15,17)(H,19,20)/b6-4-/t9-,10-,11+,12-,13+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of influenza B/Memphis/3/89 neuraminidase				Bioorg Med Chem Lett 18: 1692-5 (2008) Article DOI: 10.1016/j.bmcl.2008.01.048 BindingDB Entry DOI: 10.7270/Q2WW7JHN
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Lee/40))	BDBM50233726 ((2R,4S,5R)-5-((1R,2S)-1-acetamido-2-ethoxybut-3-en...) Show SMILES CCO[C@@H](C=C)[C@H](NC(C)=O)[C@@H]1N[C@H](C[C@H]1\C=C/C)C(O)=O Show InChI InChI=1S/C16H26N2O4/c1-5-8-11-9-12(16(20)21)18-14(11)15(17-10(4)19)13(6-2)22-7-3/h5-6,8,11-15,18H,2,7,9H2,1,3-4H3,(H,17,19)(H,20,21)/b8-5-/t11-,12-,13+,14-,15+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of influenza B/Memphis/3/89 neuraminidase				Bioorg Med Chem Lett 18: 1692-5 (2008) Article DOI: 10.1016/j.bmcl.2008.01.048 BindingDB Entry DOI: 10.7270/Q2WW7JHN
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Lee/40))	BDBM50233725 ((2R,4S,5R)-5-((1R,2S)-1-acetamido-2-hydroxypropyl)...) Show SMILES C\C=C/[C@@H]1C[C@@H](N[C@H]1[C@@H](NC(C)=O)[C@H](C)O)C(O)=O Show InChI InChI=1S/C13H22N2O4/c1-4-5-9-6-10(13(18)19)15-12(9)11(7(2)16)14-8(3)17/h4-5,7,9-12,15-16H,6H2,1-3H3,(H,14,17)(H,18,19)/b5-4-/t7-,9+,10+,11-,12+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of influenza B/Memphis/3/89 neuraminidase				Bioorg Med Chem Lett 18: 1692-5 (2008) Article DOI: 10.1016/j.bmcl.2008.01.048 BindingDB Entry DOI: 10.7270/Q2WW7JHN
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Lee/40))	BDBM50233727 ((2R,4S,5R)-5-((1R,2S)-1-acetamido-2-(allyloxy)but-...) Show SMILES C\C=C/[C@@H]1C[C@@H](N[C@H]1[C@@H](NC(C)=O)[C@@H](OCC=C)C=C)C(O)=O Show InChI InChI=1S/C17H26N2O4/c1-5-8-12-10-13(17(21)22)19-15(12)16(18-11(4)20)14(7-3)23-9-6-2/h5-8,12-16,19H,2-3,9-10H2,1,4H3,(H,18,20)(H,21,22)/b8-5-/t12-,13-,14+,15-,16+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of influenza B/Memphis/3/89 neuraminidase				Bioorg Med Chem Lett 18: 1692-5 (2008) Article DOI: 10.1016/j.bmcl.2008.01.048 BindingDB Entry DOI: 10.7270/Q2WW7JHN
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Lee/40))	BDBM50233722 ((2R,4S,5R)-5-((R)-acetamido((R)-3,6-dihydro-2H-pyr...) Show SMILES C\C=C/[C@@H]1C[C@@H](N[C@H]1[C@@H](NC(C)=O)[C@H]1CC=CCO1)C(O)=O |c:16| Show InChI InChI=1S/C16H24N2O4/c1-3-6-11-9-12(16(20)21)18-14(11)15(17-10(2)19)13-7-4-5-8-22-13/h3-6,11-15,18H,7-9H2,1-2H3,(H,17,19)(H,20,21)/b6-3-/t11-,12-,13-,14-,15+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of influenza B/Memphis/3/89 neuraminidase				Bioorg Med Chem Lett 18: 1692-5 (2008) Article DOI: 10.1016/j.bmcl.2008.01.048 BindingDB Entry DOI: 10.7270/Q2WW7JHN
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Lee/40))	BDBM50233733 ((2R,4S,5R)-5-((1R,2S)-1-acetamido-2-ethoxypent-4-e...) Show SMILES CCO[C@@H](CC=C)[C@H](NC(C)=O)[C@@H]1N[C@H](C[C@H]1\C=C/C)C(O)=O Show InChI InChI=1S/C17H28N2O4/c1-5-8-12-10-13(17(21)22)19-15(12)16(18-11(4)20)14(9-6-2)23-7-3/h5-6,8,12-16,19H,2,7,9-10H2,1,3-4H3,(H,18,20)(H,21,22)/b8-5-/t12-,13-,14+,15-,16+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of influenza B/Memphis/3/89 neuraminidase				Bioorg Med Chem Lett 18: 1692-5 (2008) Article DOI: 10.1016/j.bmcl.2008.01.048 BindingDB Entry DOI: 10.7270/Q2WW7JHN
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Lee/40))	BDBM50233740 ((2R,4S,5R)-5-((1R,2S)-1-acetamido-2-hydroxyhexyl)-...) Show SMILES CCCC[C@H](O)[C@H](NC(C)=O)[C@@H]1N[C@H](C[C@H]1\C=C/C)C(O)=O Show InChI InChI=1S/C16H28N2O4/c1-4-6-8-13(20)15(17-10(3)19)14-11(7-5-2)9-12(18-14)16(21)22/h5,7,11-15,18,20H,4,6,8-9H2,1-3H3,(H,17,19)(H,21,22)/b7-5-/t11-,12-,13+,14-,15+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of influenza B/Memphis/3/89 neuraminidase				Bioorg Med Chem Lett 18: 1692-5 (2008) Article DOI: 10.1016/j.bmcl.2008.01.048 BindingDB Entry DOI: 10.7270/Q2WW7JHN
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Lee/40))	BDBM50233743 ((2R,4S,5R)-5-((1R,2S)-1-acetamido-2-(allyloxy)pent...) Show SMILES C\C=C/[C@@H]1C[C@@H](N[C@H]1[C@@H](NC(C)=O)[C@H](CC=C)OCC=C)C(O)=O Show InChI InChI=1S/C18H28N2O4/c1-5-8-13-11-14(18(22)23)20-16(13)17(19-12(4)21)15(9-6-2)24-10-7-3/h5-8,13-17,20H,2-3,9-11H2,1,4H3,(H,19,21)(H,22,23)/b8-5-/t13-,14-,15+,16-,17+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of influenza B/Memphis/3/89 neuraminidase				Bioorg Med Chem Lett 18: 1692-5 (2008) Article DOI: 10.1016/j.bmcl.2008.01.048 BindingDB Entry DOI: 10.7270/Q2WW7JHN
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Lee/40))	BDBM50233731 ((2R,4S,5R)-5-((1R,2R)-1-acetamido-2-hydroxybut-3-e...) Show SMILES C\C=C/[C@@H]1C[C@@H](N[C@H]1[C@@H](NC(C)=O)[C@H](O)C=C)C(O)=O Show InChI InChI=1S/C14H22N2O4/c1-4-6-9-7-10(14(19)20)16-12(9)13(11(18)5-2)15-8(3)17/h4-6,9-13,16,18H,2,7H2,1,3H3,(H,15,17)(H,19,20)/b6-4-/t9-,10-,11-,12-,13+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of influenza B/Memphis/3/89 neuraminidase				Bioorg Med Chem Lett 18: 1692-5 (2008) Article DOI: 10.1016/j.bmcl.2008.01.048 BindingDB Entry DOI: 10.7270/Q2WW7JHN
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Lee/40))	BDBM50233721 ((2R,4S,5R)-5-((R)-acetamido((S)-3,6-dihydro-2H-pyr...) Show SMILES C\C=C/[C@@H]1C[C@@H](N[C@H]1[C@@H](NC(C)=O)[C@@H]1CC=CCO1)C(O)=O |c:16| Show InChI InChI=1S/C16H24N2O4/c1-3-6-11-9-12(16(20)21)18-14(11)15(17-10(2)19)13-7-4-5-8-22-13/h3-6,11-15,18H,7-9H2,1-2H3,(H,17,19)(H,20,21)/b6-3-/t11-,12-,13+,14-,15+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of influenza B/Memphis/3/89 neuraminidase				Bioorg Med Chem Lett 18: 1692-5 (2008) Article DOI: 10.1016/j.bmcl.2008.01.048 BindingDB Entry DOI: 10.7270/Q2WW7JHN
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Lee/40))	BDBM50233730 ((2R,4S,5R)-5-((1R,2R)-1-acetamido-2-hydroxypentyl)...) Show SMILES CCC[C@@H](O)[C@H](NC(C)=O)[C@@H]1N[C@H](C[C@H]1\C=C/C)C(O)=O Show InChI InChI=1S/C15H26N2O4/c1-4-6-10-8-11(15(20)21)17-13(10)14(16-9(3)18)12(19)7-5-2/h4,6,10-14,17,19H,5,7-8H2,1-3H3,(H,16,18)(H,20,21)/b6-4-/t10-,11-,12-,13-,14+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of influenza B/Memphis/3/89 neuraminidase				Bioorg Med Chem Lett 18: 1692-5 (2008) Article DOI: 10.1016/j.bmcl.2008.01.048 BindingDB Entry DOI: 10.7270/Q2WW7JHN
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Lee/40))	BDBM50233738 ((2R,4S,5R)-5-((1R,2R)-1-acetamido-2-hydroxybutyl)-...) Show SMILES CC[C@@H](O)[C@H](NC(C)=O)[C@@H]1N[C@H](C[C@H]1\C=C/C)C(O)=O Show InChI InChI=1S/C14H24N2O4/c1-4-6-9-7-10(14(19)20)16-12(9)13(11(18)5-2)15-8(3)17/h4,6,9-13,16,18H,5,7H2,1-3H3,(H,15,17)(H,19,20)/b6-4-/t9-,10-,11-,12-,13+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of influenza B/Memphis/3/89 neuraminidase				Bioorg Med Chem Lett 18: 1692-5 (2008) Article DOI: 10.1016/j.bmcl.2008.01.048 BindingDB Entry DOI: 10.7270/Q2WW7JHN
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Lee/40))	BDBM5202 ((+/-)-(2R,4S,5R,1 S)-5-(1 -Acetylamino-3 -methyl-b...) Show SMILES [H][C@]1(N[C@H](C[C@H]1\C=C/C)C(O)=O)[C@H](CC(C)C)NC(C)=O |r| Show InChI InChI=1S/C15H26N2O3/c1-5-6-11-8-13(15(19)20)17-14(11)12(7-9(2)3)16-10(4)18/h5-6,9,11-14,17H,7-8H2,1-4H3,(H,16,18)(H,19,20)/b6-5-/t11-,12+,13-,14-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of influenza B/Memphis/3/89 neuraminidase				Bioorg Med Chem Lett 18: 1692-5 (2008) Article DOI: 10.1016/j.bmcl.2008.01.048 BindingDB Entry DOI: 10.7270/Q2WW7JHN
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Lee/40))	BDBM50233735 ((2R,4S,5R)-5-((1R,2R)-1-acetamido-2-methoxypent-4-...) Show SMILES CO[C@H](CC=C)[C@H](NC(C)=O)[C@@H]1N[C@H](C[C@H]1\C=C/C)C(O)=O Show InChI InChI=1S/C16H26N2O4/c1-5-7-11-9-12(16(20)21)18-14(11)15(17-10(3)19)13(22-4)8-6-2/h5-7,11-15,18H,2,8-9H2,1,3-4H3,(H,17,19)(H,20,21)/b7-5-/t11-,12-,13-,14-,15+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of influenza B/Memphis/3/89 neuraminidase				Bioorg Med Chem Lett 18: 1692-5 (2008) Article DOI: 10.1016/j.bmcl.2008.01.048 BindingDB Entry DOI: 10.7270/Q2WW7JHN
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Lee/40))	BDBM50233736 ((2R,4S,5R)-5-((1R,2R)-1-acetamido-2-ethoxypent-4-e...) Show SMILES CCO[C@H](CC=C)[C@H](NC(C)=O)[C@@H]1N[C@H](C[C@H]1\C=C/C)C(O)=O Show InChI InChI=1S/C17H28N2O4/c1-5-8-12-10-13(17(21)22)19-15(12)16(18-11(4)20)14(9-6-2)23-7-3/h5-6,8,12-16,19H,2,7,9-10H2,1,3-4H3,(H,18,20)(H,21,22)/b8-5-/t12-,13-,14-,15-,16+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of influenza B/Memphis/3/89 neuraminidase				Bioorg Med Chem Lett 18: 1692-5 (2008) Article DOI: 10.1016/j.bmcl.2008.01.048 BindingDB Entry DOI: 10.7270/Q2WW7JHN
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Lee/40))	BDBM50233729 ((2R,4S,5R)-5-((1R,2R)-1-acetamido-2-hydroxypent-4-...) Show SMILES C\C=C/[C@@H]1C[C@@H](N[C@H]1[C@@H](NC(C)=O)[C@H](O)CC=C)C(O)=O Show InChI InChI=1S/C15H24N2O4/c1-4-6-10-8-11(15(20)21)17-13(10)14(16-9(3)18)12(19)7-5-2/h4-6,10-14,17,19H,2,7-8H2,1,3H3,(H,16,18)(H,20,21)/b6-4-/t10-,11-,12-,13-,14+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of influenza B/Memphis/3/89 neuraminidase				Bioorg Med Chem Lett 18: 1692-5 (2008) Article DOI: 10.1016/j.bmcl.2008.01.048 BindingDB Entry DOI: 10.7270/Q2WW7JHN
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Lee/40))	BDBM50233745 ((2R,4S,5R)-5-((1R,2R)-1-acetamido-2-hydroxypropyl)...) Show SMILES C\C=C/[C@@H]1C[C@@H](N[C@H]1[C@@H](NC(C)=O)[C@@H](C)O)C(O)=O Show InChI InChI=1S/C13H22N2O4/c1-4-5-9-6-10(13(18)19)15-12(9)11(7(2)16)14-8(3)17/h4-5,7,9-12,15-16H,6H2,1-3H3,(H,14,17)(H,18,19)/b5-4-/t7-,9-,10-,11+,12-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	85	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of influenza B/Memphis/3/89 neuraminidase				Bioorg Med Chem Lett 18: 1692-5 (2008) Article DOI: 10.1016/j.bmcl.2008.01.048 BindingDB Entry DOI: 10.7270/Q2WW7JHN
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Lee/40))	BDBM50233739 ((2R,4S,5R)-5-((1R,2R)-1-acetamido-2-hydroxyhexyl)-...) Show SMILES CCCC[C@@H](O)[C@H](NC(C)=O)[C@@H]1N[C@H](C[C@H]1\C=C/C)C(O)=O Show InChI InChI=1S/C16H28N2O4/c1-4-6-8-13(20)15(17-10(3)19)14-11(7-5-2)9-12(18-14)16(21)22/h5,7,11-15,18,20H,4,6,8-9H2,1-3H3,(H,17,19)(H,21,22)/b7-5-/t11-,12-,13-,14-,15+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	86	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of influenza B/Memphis/3/89 neuraminidase				Bioorg Med Chem Lett 18: 1692-5 (2008) Article DOI: 10.1016/j.bmcl.2008.01.048 BindingDB Entry DOI: 10.7270/Q2WW7JHN
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Lee/40))	BDBM50233734 ((2R,4S,5R)-5-((1R,2R)-1-acetamido-2-(allyloxy)pent...) Show SMILES C\C=C/[C@@H]1C[C@@H](N[C@H]1[C@@H](NC(C)=O)[C@@H](CC=C)OCC=C)C(O)=O Show InChI InChI=1S/C18H28N2O4/c1-5-8-13-11-14(18(22)23)20-16(13)17(19-12(4)21)15(9-6-2)24-10-7-3/h5-8,13-17,20H,2-3,9-11H2,1,4H3,(H,19,21)(H,22,23)/b8-5-/t13-,14-,15-,16-,17+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of influenza B/Memphis/3/89 neuraminidase				Bioorg Med Chem Lett 18: 1692-5 (2008) Article DOI: 10.1016/j.bmcl.2008.01.048 BindingDB Entry DOI: 10.7270/Q2WW7JHN
					More data for this Ligand-Target Pair