Compile Data Set for Download or QSAR

Found 22 hits Enz. Inhib. hit(s) with all data for entry = 50034894   

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(...)	BDBM4945 ((2R,3R,4S)-4-amino-3-acetamido-2-[(2-phenylethyl)(...) Show SMILES [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCC)CCc1ccccc1 |r,c:3| Show InChI InChI=1S/C20H27N3O5/c1-3-10-23(11-9-14-7-5-4-6-8-14)19(25)18-17(22-13(2)24)15(21)12-16(28-18)20(26)27/h4-8,12,15,17-18H,3,9-11,21H2,1-2H3,(H,22,24)(H,26,27)/t15-,17+,18+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against influenza A virus sialidase				Bioorg Med Chem Lett 7: 2239-2242 (1997) Article DOI: 10.1016/S0960-894X(97)00399-5 BindingDB Entry DOI: 10.7270/Q2RX9CKB
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	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 GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against influenza A virus sialidase				Bioorg Med Chem Lett 7: 2239-2242 (1997) Article DOI: 10.1016/S0960-894X(97)00399-5 BindingDB Entry DOI: 10.7270/Q2RX9CKB
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against influenza B virus sialidase				Bioorg Med Chem Lett 7: 2239-2242 (1997) Article DOI: 10.1016/S0960-894X(97)00399-5 BindingDB Entry DOI: 10.7270/Q2RX9CKB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50290063 ((4S,5R,6R)-5-Acetylamino-6-(5-benzyl-2-propyl-2H-[...) Show SMILES CCCn1nc(Cc2ccccc2)nc1[C@@H]1OC(=C[C@H](NC(=O)OC(C)(C)C)[C@H]1NC(C)=O)C(=O)OC(c1ccccc1)c1ccccc1 |c:19| Show InChI InChI=1S/C38H43N5O6/c1-6-22-43-35(41-31(42-43)23-26-16-10-7-11-17-26)34-32(39-25(2)44)29(40-37(46)49-38(3,4)5)24-30(47-34)36(45)48-33(27-18-12-8-13-19-27)28-20-14-9-15-21-28/h7-21,24,29,32-34H,6,22-23H2,1-5H3,(H,39,44)(H,40,46)/t29-,32+,34+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against influenza A virus sialidase				Bioorg Med Chem Lett 7: 2239-2242 (1997) Article DOI: 10.1016/S0960-894X(97)00399-5 BindingDB Entry DOI: 10.7270/Q2RX9CKB
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50290066 ((4S,5R,6R)-5-Acetylamino-4-amino-6-(5-butyl-4-prop...) Show SMILES CCCCc1nnc([C@@H]2OC(=C[C@H](N)[C@H]2NC(C)=O)C(O)=O)n1CCC |c:10| Show InChI InChI=1S/C17H27N5O4/c1-4-6-7-13-20-21-16(22(13)8-5-2)15-14(19-10(3)23)11(18)9-12(26-15)17(24)25/h9,11,14-15H,4-8,18H2,1-3H3,(H,19,23)(H,24,25)/t11-,14+,15+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against influenza A virus sialidase				Bioorg Med Chem Lett 7: 2239-2242 (1997) Article DOI: 10.1016/S0960-894X(97)00399-5 BindingDB Entry DOI: 10.7270/Q2RX9CKB
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Lee/40))	BDBM4945 ((2R,3R,4S)-4-amino-3-acetamido-2-[(2-phenylethyl)(...) Show SMILES [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCC)CCc1ccccc1 |r,c:3| Show InChI InChI=1S/C20H27N3O5/c1-3-10-23(11-9-14-7-5-4-6-8-14)19(25)18-17(22-13(2)24)15(21)12-16(28-18)20(26)27/h4-8,12,15,17-18H,3,9-11,21H2,1-2H3,(H,22,24)(H,26,27)/t15-,17+,18+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB Article	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against influenza B virus sialidase				Bioorg Med Chem Lett 7: 2239-2242 (1997) Article DOI: 10.1016/S0960-894X(97)00399-5 BindingDB Entry DOI: 10.7270/Q2RX9CKB
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50290065 ((4S,5R,6R)-5-Acetylamino-6-(5-benzyl-1-propyl-1H-[...) Show SMILES CCCn1nc(nc1Cc1ccccc1)[C@@H]1OC(=C[C@H](NC(=O)OC(C)(C)C)[C@H]1NC(C)=O)C(=O)OC(c1ccccc1)c1ccccc1 |c:19| Show InChI InChI=1S/C38H43N5O6/c1-6-22-43-31(23-26-16-10-7-11-17-26)41-35(42-43)34-32(39-25(2)44)29(40-37(46)49-38(3,4)5)24-30(47-34)36(45)48-33(27-18-12-8-13-19-27)28-20-14-9-15-21-28/h7-21,24,29,32-34H,6,22-23H2,1-5H3,(H,39,44)(H,40,46)/t29-,32+,34+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against influenza A virus sialidase				Bioorg Med Chem Lett 7: 2239-2242 (1997) Article DOI: 10.1016/S0960-894X(97)00399-5 BindingDB Entry DOI: 10.7270/Q2RX9CKB
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM4950 ((2R,3R,4S)-4-amino-3-acetamido-2-[(2-phenylethyl)c...) Show SMILES [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)NCCc1ccccc1 |r,c:3| Show InChI InChI=1S/C17H21N3O5/c1-10(21)20-14-12(18)9-13(17(23)24)25-15(14)16(22)19-8-7-11-5-3-2-4-6-11/h2-6,9,12,14-15H,7-8,18H2,1H3,(H,19,22)(H,20,21)(H,23,24)/t12-,14+,15+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against influenza A virus sialidase				Bioorg Med Chem Lett 7: 2239-2242 (1997) Article DOI: 10.1016/S0960-894X(97)00399-5 BindingDB Entry DOI: 10.7270/Q2RX9CKB
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Lee/40))	BDBM50290066 ((4S,5R,6R)-5-Acetylamino-4-amino-6-(5-butyl-4-prop...) Show SMILES CCCCc1nnc([C@@H]2OC(=C[C@H](N)[C@H]2NC(C)=O)C(O)=O)n1CCC |c:10| Show InChI InChI=1S/C17H27N5O4/c1-4-6-7-13-20-21-16(22(13)8-5-2)15-14(19-10(3)23)11(18)9-12(26-15)17(24)25/h9,11,14-15H,4-8,18H2,1-3H3,(H,19,23)(H,24,25)/t11-,14+,15+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against influenza B virus sialidase				Bioorg Med Chem Lett 7: 2239-2242 (1997) Article DOI: 10.1016/S0960-894X(97)00399-5 BindingDB Entry DOI: 10.7270/Q2RX9CKB
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50290068 ((4S,5R,6R)-5-Acetylamino-4-amino-6-(3-phenyl-[1,2,...) Show SMILES CC(=O)N[C@@H]1[C@@H](N)C=C(O[C@H]1c1nc(no1)-c1ccccc1)C(O)=O |c:7| Show InChI InChI=1S/C16H16N4O5/c1-8(21)18-12-10(17)7-11(16(22)23)24-13(12)15-19-14(20-25-15)9-5-3-2-4-6-9/h2-7,10,12-13H,17H2,1H3,(H,18,21)(H,22,23)/t10-,12+,13+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against influenza A virus sialidase				Bioorg Med Chem Lett 7: 2239-2242 (1997) Article DOI: 10.1016/S0960-894X(97)00399-5 BindingDB Entry DOI: 10.7270/Q2RX9CKB
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50290064 ((4S,5R,6R)-5-Acetylamino-4-amino-6-(3-methyl-[1,2,...) Show SMILES CC(=O)N[C@@H]1[C@@H](N)C=C(O[C@H]1c1nc(C)no1)C(O)=O |c:7| Show InChI InChI=1S/C11H14N4O5/c1-4-13-10(20-15-4)9-8(14-5(2)16)6(12)3-7(19-9)11(17)18/h3,6,8-9H,12H2,1-2H3,(H,14,16)(H,17,18)/t6-,8+,9+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against influenza A virus sialidase				Bioorg Med Chem Lett 7: 2239-2242 (1997) Article DOI: 10.1016/S0960-894X(97)00399-5 BindingDB Entry DOI: 10.7270/Q2RX9CKB
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Lee/40))	BDBM50290064 ((4S,5R,6R)-5-Acetylamino-4-amino-6-(3-methyl-[1,2,...) Show SMILES CC(=O)N[C@@H]1[C@@H](N)C=C(O[C@H]1c1nc(C)no1)C(O)=O |c:7| Show InChI InChI=1S/C11H14N4O5/c1-4-13-10(20-15-4)9-8(14-5(2)16)6(12)3-7(19-9)11(17)18/h3,6,8-9H,12H2,1-2H3,(H,14,16)(H,17,18)/t6-,8+,9+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	4.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against influenza B virus sialidase				Bioorg Med Chem Lett 7: 2239-2242 (1997) Article DOI: 10.1016/S0960-894X(97)00399-5 BindingDB Entry DOI: 10.7270/Q2RX9CKB
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Lee/40))	BDBM50290063 ((4S,5R,6R)-5-Acetylamino-6-(5-benzyl-2-propyl-2H-[...) Show SMILES CCCn1nc(Cc2ccccc2)nc1[C@@H]1OC(=C[C@H](NC(=O)OC(C)(C)C)[C@H]1NC(C)=O)C(=O)OC(c1ccccc1)c1ccccc1 |c:19| Show InChI InChI=1S/C38H43N5O6/c1-6-22-43-35(41-31(42-43)23-26-16-10-7-11-17-26)34-32(39-25(2)44)29(40-37(46)49-38(3,4)5)24-30(47-34)36(45)48-33(27-18-12-8-13-19-27)28-20-14-9-15-21-28/h7-21,24,29,32-34H,6,22-23H2,1-5H3,(H,39,44)(H,40,46)/t29-,32+,34+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	5.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against influenza B virus sialidase				Bioorg Med Chem Lett 7: 2239-2242 (1997) Article DOI: 10.1016/S0960-894X(97)00399-5 BindingDB Entry DOI: 10.7270/Q2RX9CKB
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50290062 ((4S,5R,6R)-5-Acetylamino-4-amino-6-(3-butyl-[1,2,4...) Show SMILES CCCCc1noc(n1)[C@@H]1OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O |c:12| Show InChI InChI=1S/C14H20N4O5/c1-3-4-5-10-17-13(23-18-10)12-11(16-7(2)19)8(15)6-9(22-12)14(20)21/h6,8,11-12H,3-5,15H2,1-2H3,(H,16,19)(H,20,21)/t8-,11+,12+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	5.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against influenza A virus sialidase				Bioorg Med Chem Lett 7: 2239-2242 (1997) Article DOI: 10.1016/S0960-894X(97)00399-5 BindingDB Entry DOI: 10.7270/Q2RX9CKB
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Lee/40))	BDBM4950 ((2R,3R,4S)-4-amino-3-acetamido-2-[(2-phenylethyl)c...) Show SMILES [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)NCCc1ccccc1 |r,c:3| Show InChI InChI=1S/C17H21N3O5/c1-10(21)20-14-12(18)9-13(17(23)24)25-15(14)16(22)19-8-7-11-5-3-2-4-6-11/h2-6,9,12,14-15H,7-8,18H2,1H3,(H,19,22)(H,20,21)(H,23,24)/t12-,14+,15+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	6.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against influenza B virus sialidase				Bioorg Med Chem Lett 7: 2239-2242 (1997) Article DOI: 10.1016/S0960-894X(97)00399-5 BindingDB Entry DOI: 10.7270/Q2RX9CKB
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Lee/40))	BDBM50290068 ((4S,5R,6R)-5-Acetylamino-4-amino-6-(3-phenyl-[1,2,...) Show SMILES CC(=O)N[C@@H]1[C@@H](N)C=C(O[C@H]1c1nc(no1)-c1ccccc1)C(O)=O |c:7| Show InChI InChI=1S/C16H16N4O5/c1-8(21)18-12-10(17)7-11(16(22)23)24-13(12)15-19-14(20-25-15)9-5-3-2-4-6-9/h2-7,10,12-13H,17H2,1H3,(H,18,21)(H,22,23)/t10-,12+,13+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against influenza B virus sialidase				Bioorg Med Chem Lett 7: 2239-2242 (1997) Article DOI: 10.1016/S0960-894X(97)00399-5 BindingDB Entry DOI: 10.7270/Q2RX9CKB
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50290067 ((4S,5R,6R)-5-Acetylamino-6-(5-benzyl-2H-[1,2,4]tri...) Show SMILES CC(=O)N[C@@H]1[C@@H](NC(=O)OC(C)(C)C)C=C(O[C@H]1c1nnc(Cc2ccccc2)[nH]1)C(=O)OC(c1ccccc1)c1ccccc1 |c:14| Show InChI InChI=1S/C35H37N5O6/c1-22(41)36-29-26(37-34(43)46-35(2,3)4)21-27(44-31(29)32-38-28(39-40-32)20-23-14-8-5-9-15-23)33(42)45-30(24-16-10-6-11-17-24)25-18-12-7-13-19-25/h5-19,21,26,29-31H,20H2,1-4H3,(H,36,41)(H,37,43)(H,38,39,40)/t26-,29+,31+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	8.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against influenza A virus sialidase				Bioorg Med Chem Lett 7: 2239-2242 (1997) Article DOI: 10.1016/S0960-894X(97)00399-5 BindingDB Entry DOI: 10.7270/Q2RX9CKB
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50290069 ((4S,5R,6R)-5-Acetylamino-4-amino-6-(3-benzyl-[1,2,...) Show SMILES CC(=O)N[C@@H]1[C@@H](N)C=C(O[C@H]1c1nc(Cc2ccccc2)no1)C(O)=O |c:7| Show InChI InChI=1S/C17H18N4O5/c1-9(22)19-14-11(18)8-12(17(23)24)25-15(14)16-20-13(21-26-16)7-10-5-3-2-4-6-10/h2-6,8,11,14-15H,7,18H2,1H3,(H,19,22)(H,23,24)/t11-,14+,15+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	9.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against influenza A virus sialidase				Bioorg Med Chem Lett 7: 2239-2242 (1997) Article DOI: 10.1016/S0960-894X(97)00399-5 BindingDB Entry DOI: 10.7270/Q2RX9CKB
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Lee/40))	BDBM50290067 ((4S,5R,6R)-5-Acetylamino-6-(5-benzyl-2H-[1,2,4]tri...) Show SMILES CC(=O)N[C@@H]1[C@@H](NC(=O)OC(C)(C)C)C=C(O[C@H]1c1nnc(Cc2ccccc2)[nH]1)C(=O)OC(c1ccccc1)c1ccccc1 |c:14| Show InChI InChI=1S/C35H37N5O6/c1-22(41)36-29-26(37-34(43)46-35(2,3)4)21-27(44-31(29)32-38-28(39-40-32)20-23-14-8-5-9-15-23)33(42)45-30(24-16-10-6-11-17-24)25-18-12-7-13-19-25/h5-19,21,26,29-31H,20H2,1-4H3,(H,36,41)(H,37,43)(H,38,39,40)/t26-,29+,31+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against influenza B virus sialidase				Bioorg Med Chem Lett 7: 2239-2242 (1997) Article DOI: 10.1016/S0960-894X(97)00399-5 BindingDB Entry DOI: 10.7270/Q2RX9CKB
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Lee/40))	BDBM50290062 ((4S,5R,6R)-5-Acetylamino-4-amino-6-(3-butyl-[1,2,4...) Show SMILES CCCCc1noc(n1)[C@@H]1OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O |c:12| Show InChI InChI=1S/C14H20N4O5/c1-3-4-5-10-17-13(23-18-10)12-11(16-7(2)19)8(15)6-9(22-12)14(20)21/h6,8,11-12H,3-5,15H2,1-2H3,(H,16,19)(H,20,21)/t8-,11+,12+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.10E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against influenza B virus sialidase				Bioorg Med Chem Lett 7: 2239-2242 (1997) Article DOI: 10.1016/S0960-894X(97)00399-5 BindingDB Entry DOI: 10.7270/Q2RX9CKB
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Lee/40))	BDBM50290065 ((4S,5R,6R)-5-Acetylamino-6-(5-benzyl-1-propyl-1H-[...) Show SMILES CCCn1nc(nc1Cc1ccccc1)[C@@H]1OC(=C[C@H](NC(=O)OC(C)(C)C)[C@H]1NC(C)=O)C(=O)OC(c1ccccc1)c1ccccc1 |c:19| Show InChI InChI=1S/C38H43N5O6/c1-6-22-43-31(23-26-16-10-7-11-17-26)41-35(42-43)34-32(39-25(2)44)29(40-37(46)49-38(3,4)5)24-30(47-34)36(45)48-33(27-18-12-8-13-19-27)28-20-14-9-15-21-28/h7-21,24,29,32-34H,6,22-23H2,1-5H3,(H,39,44)(H,40,46)/t29-,32+,34+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>3.60E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against influenza B virus sialidase				Bioorg Med Chem Lett 7: 2239-2242 (1997) Article DOI: 10.1016/S0960-894X(97)00399-5 BindingDB Entry DOI: 10.7270/Q2RX9CKB
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Lee/40))	BDBM50290069 ((4S,5R,6R)-5-Acetylamino-4-amino-6-(3-benzyl-[1,2,...) Show SMILES CC(=O)N[C@@H]1[C@@H](N)C=C(O[C@H]1c1nc(Cc2ccccc2)no1)C(O)=O |c:7| Show InChI InChI=1S/C17H18N4O5/c1-9(22)19-14-11(18)8-12(17(23)24)25-15(14)16-20-13(21-26-16)7-10-5-3-2-4-6-10/h2-6,8,11,14-15H,7,18H2,1H3,(H,19,22)(H,23,24)/t11-,14+,15+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>4.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against influenza B virus sialidase				Bioorg Med Chem Lett 7: 2239-2242 (1997) Article DOI: 10.1016/S0960-894X(97)00399-5 BindingDB Entry DOI: 10.7270/Q2RX9CKB
					More data for this Ligand-Target Pair