Found 103 hits with Last Name = 'whittington' and Initial = 'ar' 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(...) | BDBM4942
((2R,3R,4S)-4-carbamimidamido-2-(diethylcarbamoyl)-...)Show SMILES [H][C@]1([#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)[#6](=O)-[#7](-[#6]-[#6])-[#6]-[#6] |r,c:3| Show InChI InChI=1S/C14H23N5O5/c1-4-19(5-2)12(21)11-10(17-7(3)20)8(18-14(15)16)6-9(24-11)13(22)23/h6,8,10-11H,4-5H2,1-3H3,(H,17,20)(H,22,23)(H4,15,16,18)/t8-,10+,11+/m0/s1 | PDB MMDB
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TBA
Curated by ChEMBL
| Assay Description Inhibition of influenza A sialidase (neuraminidase) |
Bioorg Med Chem Lett 6: 2931-2936 (1996)
Article DOI: 10.1016/S0960-894X(96)00542-2 BindingDB Entry DOI: 10.7270/Q24B31TM |
More data for this Ligand-Target Pair | |
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
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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
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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 A virus (A/Puerto Rico/8/34/Mount Sinai(...) | BDBM4940
((2R,3R,4S)-4-carbamimidamido-2-(dipropylcarbamoyl)...)Show SMILES [H][C@]1([#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)[#6](=O)-[#7](-[#6]-[#6]-[#6])-[#6]-[#6]-[#6] |r,c:3| Show InChI InChI=1S/C16H27N5O5/c1-4-6-21(7-5-2)14(23)13-12(19-9(3)22)10(20-16(17)18)8-11(26-13)15(24)25/h8,10,12-13H,4-7H2,1-3H3,(H,19,22)(H,24,25)(H4,17,18,20)/t10-,12+,13+/m0/s1 | PDB MMDB
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TBA
Curated by ChEMBL
| Assay Description Inhibition of influenza A sialidase (neuraminidase) |
Bioorg Med Chem Lett 6: 2931-2936 (1996)
Article DOI: 10.1016/S0960-894X(96)00542-2 BindingDB Entry DOI: 10.7270/Q24B31TM |
More data for this Ligand-Target Pair | |
Neuraminidase
(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...) | BDBM4967
((2R,3R,4S)-4-amino-3-acetamido-2-{[2-(4-phenylphen...)Show SMILES [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCC)CCc1ccc(cc1)-c1ccccc1 |r,c:3| Show InChI InChI=1S/C26H31N3O5/c1-3-14-29(15-13-18-9-11-20(12-10-18)19-7-5-4-6-8-19)25(31)24-23(28-17(2)30)21(27)16-22(34-24)26(32)33/h4-12,16,21,23-24H,3,13-15,27H2,1-2H3,(H,28,30)(H,32,33)/t21-,23+,24+/m0/s1 | PDB MMDB
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TBA
Curated by ChEMBL
| Assay Description Inhibition of influenza A sialidase (neuraminidase) |
Bioorg Med Chem Lett 6: 2931-2936 (1996)
Article DOI: 10.1016/S0960-894X(96)00542-2 BindingDB Entry DOI: 10.7270/Q24B31TM |
More data for this Ligand-Target Pair | |
Neuraminidase
(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...) | BDBM4941
((2R,3R,4S)-4-amino-3-acetamido-2-[ethyl(propyl)car...)Show SMILES [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CC)CCC |r,c:3| Show InChI InChI=1S/C14H23N3O5/c1-4-6-17(5-2)13(19)12-11(16-8(3)18)9(15)7-10(22-12)14(20)21/h7,9,11-12H,4-6,15H2,1-3H3,(H,16,18)(H,20,21)/t9-,11+,12+/m0/s1 | PDB MMDB
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TBA
Curated by ChEMBL
| Assay Description Inhibition of influenza A sialidase (neuraminidase) |
Bioorg Med Chem Lett 6: 2931-2936 (1996)
Article DOI: 10.1016/S0960-894X(96)00542-2 BindingDB Entry DOI: 10.7270/Q24B31TM |
More data for this Ligand-Target Pair | |
Neuraminidase
(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...) | BDBM4937
((2R,3R,4S)-4-amino-2-(diethylcarbamoyl)-3-acetamid...)Show SMILES [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CC)CC |r,c:3| Show InChI InChI=1S/C13H21N3O5/c1-4-16(5-2)12(18)11-10(15-7(3)17)8(14)6-9(21-11)13(19)20/h6,8,10-11H,4-5,14H2,1-3H3,(H,15,17)(H,19,20)/t8-,10+,11+/m0/s1 | PDB MMDB
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TBA
Curated by ChEMBL
| Assay Description Inhibition of influenza A sialidase (neuraminidase) |
Bioorg Med Chem Lett 6: 2931-2936 (1996)
Article DOI: 10.1016/S0960-894X(96)00542-2 BindingDB Entry DOI: 10.7270/Q24B31TM |
More data for this Ligand-Target Pair | |
Neuraminidase
(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...) | BDBM4929
((2R,3R,4S)-4-amino-2-(dipropylcarbamoyl)-3-acetami...)Show SMILES [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCC)CCC |r,c:3| Show InChI InChI=1S/C15H25N3O5/c1-4-6-18(7-5-2)14(20)13-12(17-9(3)19)10(16)8-11(23-13)15(21)22/h8,10,12-13H,4-7,16H2,1-3H3,(H,17,19)(H,21,22)/t10-,12+,13+/m0/s1 | PDB MMDB
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TBA
Curated by ChEMBL
| Assay Description Inhibition of influenza A sialidase (neuraminidase) |
Bioorg Med Chem Lett 6: 2931-2936 (1996)
Article DOI: 10.1016/S0960-894X(96)00542-2 BindingDB Entry DOI: 10.7270/Q24B31TM |
More data for this Ligand-Target Pair | |
Neuraminidase
(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...) | BDBM4933
((2R,3R,4S)-4-carbamimidamido-3-acetamido-2-[methyl...)Show SMILES [H][C@]1([#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)[#6](=O)-[#7](-[#6])-[#6]-[#6]-[#6] |r,c:3| Show InChI InChI=1S/C14H23N5O5/c1-4-5-19(3)12(21)11-10(17-7(2)20)8(18-14(15)16)6-9(24-11)13(22)23/h6,8,10-11H,4-5H2,1-3H3,(H,17,20)(H,22,23)(H4,15,16,18)/t8-,10+,11+/m0/s1 | PDB MMDB
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TBA
Curated by ChEMBL
| Assay Description Inhibition of influenza A sialidase (neuraminidase) |
Bioorg Med Chem Lett 6: 2931-2936 (1996)
Article DOI: 10.1016/S0960-894X(96)00542-2 BindingDB Entry DOI: 10.7270/Q24B31TM |
More data for this Ligand-Target Pair | |
Neuraminidase
(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...) | BDBM4943
((2R,3R,4S)-4-amino-2-[butyl(propyl)carbamoyl]-3-ac...)Show SMILES [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCC)CCCC |r,c:3| Show InChI InChI=1S/C16H27N3O5/c1-4-6-8-19(7-5-2)15(21)14-13(18-10(3)20)11(17)9-12(24-14)16(22)23/h9,11,13-14H,4-8,17H2,1-3H3,(H,18,20)(H,22,23)/t11-,13+,14+/m0/s1 | PDB MMDB
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TBA
Curated by ChEMBL
| Assay Description Inhibition of influenza A sialidase (neuraminidase) |
Bioorg Med Chem Lett 6: 2931-2936 (1996)
Article DOI: 10.1016/S0960-894X(96)00542-2 BindingDB Entry DOI: 10.7270/Q24B31TM |
More data for this Ligand-Target Pair | |
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
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TBA
Curated by ChEMBL
| Assay Description Inhibition of influenza B sialidase (neuraminidase) |
Bioorg Med Chem Lett 6: 2931-2936 (1996)
Article DOI: 10.1016/S0960-894X(96)00542-2 BindingDB Entry DOI: 10.7270/Q24B31TM |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Neuraminidase
(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...) | BDBM50288444
((4S,5R,6R)-5-Acetylamino-4-guanidino-6-(phenethyl-...)Show SMILES [#6]-[#6]-[#6]-[#7](-[#6]-[#6]-c1ccccc1)-[#6](=O)-[#6@@H]-1-[#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](\[#7])-[#7])-[#6@H]-1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O |c:17| Show InChI InChI=1S/C21H29N5O5/c1-3-10-26(11-9-14-7-5-4-6-8-14)19(28)18-17(24-13(2)27)15(25-21(22)23)12-16(31-18)20(29)30/h4-8,12,15,17-18H,3,9-11H2,1-2H3,(H,24,27)(H,29,30)(H4,22,23,25)/t15-,17+,18+/m0/s1 | PDB MMDB
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TBA
Curated by ChEMBL
| Assay Description Inhibition of influenza A sialidase (neuraminidase) |
Bioorg Med Chem Lett 6: 2931-2936 (1996)
Article DOI: 10.1016/S0960-894X(96)00542-2 BindingDB Entry DOI: 10.7270/Q24B31TM |
More data for this Ligand-Target Pair | |
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
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TBA
Curated by ChEMBL
| Assay Description Inhibition of influenza A sialidase (neuraminidase) |
Bioorg Med Chem Lett 6: 2931-2936 (1996)
Article DOI: 10.1016/S0960-894X(96)00542-2 BindingDB Entry DOI: 10.7270/Q24B31TM |
More data for this Ligand-Target Pair | |
Neuraminidase
(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...) | BDBM4952
((2R,3R,4S)-4-amino-3-acetamido-2-[ethyl(2-phenylet...)Show SMILES [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CC)CCc1ccccc1 |r,c:3| Show InChI InChI=1S/C19H25N3O5/c1-3-22(10-9-13-7-5-4-6-8-13)18(24)17-16(21-12(2)23)14(20)11-15(27-17)19(25)26/h4-8,11,14,16-17H,3,9-10,20H2,1-2H3,(H,21,23)(H,25,26)/t14-,16+,17+/m0/s1 | PDB MMDB
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TBA
Curated by ChEMBL
| Assay Description Inhibition of influenza A sialidase (neuraminidase) |
Bioorg Med Chem Lett 6: 2931-2936 (1996)
Article DOI: 10.1016/S0960-894X(96)00542-2 BindingDB Entry DOI: 10.7270/Q24B31TM |
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
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TBA
Curated by ChEMBL
| Assay Description Inhibition of influenza A sialidase (neuraminidase) |
Bioorg Med Chem Lett 6: 2931-2936 (1996)
Article DOI: 10.1016/S0960-894X(96)00542-2 BindingDB Entry DOI: 10.7270/Q24B31TM |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Neuraminidase
(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...) | BDBM50288445
((4S,5R,6R)-5-Acetylamino-6-dibutylcarbamoyl-4-guan...)Show SMILES [#6]-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#6])-[#6](=O)-[#6@@H]-1-[#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](\[#7])-[#7])-[#6@H]-1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O |c:13| Show InChI InChI=1S/C18H31N5O5/c1-4-6-8-23(9-7-5-2)16(25)15-14(21-11(3)24)12(22-18(19)20)10-13(28-15)17(26)27/h10,12,14-15H,4-9H2,1-3H3,(H,21,24)(H,26,27)(H4,19,20,22)/t12-,14+,15+/m0/s1 | PDB MMDB
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TBA
Curated by ChEMBL
| Assay Description Inhibition of influenza A sialidase (neuraminidase) |
Bioorg Med Chem Lett 6: 2931-2936 (1996)
Article DOI: 10.1016/S0960-894X(96)00542-2 BindingDB Entry DOI: 10.7270/Q24B31TM |
More data for this Ligand-Target Pair | |
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
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| 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(...) | BDBM4948
((2R,3R,4S)-4-amino-3-acetamido-2-[nonyl(propyl)car...)Show SMILES [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCC)CCCCCCCCC |r,c:3| Show InChI InChI=1S/C21H37N3O5/c1-4-6-7-8-9-10-11-13-24(12-5-2)20(26)19-18(23-15(3)25)16(22)14-17(29-19)21(27)28/h14,16,18-19H,4-13,22H2,1-3H3,(H,23,25)(H,27,28)/t16-,18+,19+/m0/s1 | PDB MMDB
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UniProtKB/SwissProt
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| PC cid PC sid UniChem
Patents
Similars
| Article
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of influenza A sialidase (neuraminidase) |
Bioorg Med Chem Lett 6: 2931-2936 (1996)
Article DOI: 10.1016/S0960-894X(96)00542-2 BindingDB Entry DOI: 10.7270/Q24B31TM |
More data for this Ligand-Target Pair | |
Neuraminidase
(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...) | BDBM4932
((2R,3R,4S)-4-carbamimidamido-2-(dimethylcarbamoyl)...)Show SMILES [H][C@]1([#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)[#6](=O)-[#7](-[#6])-[#6] |r,c:3| Show InChI InChI=1S/C12H19N5O5/c1-5(18)15-8-6(16-12(13)14)4-7(11(20)21)22-9(8)10(19)17(2)3/h4,6,8-9H,1-3H3,(H,15,18)(H,20,21)(H4,13,14,16)/t6-,8+,9+/m0/s1 | PDB MMDB
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UniProtKB/SwissProt
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| PC cid PC sid UniChem
Patents
Similars
| Article
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of influenza A sialidase (neuraminidase) |
Bioorg Med Chem Lett 6: 2931-2936 (1996)
Article DOI: 10.1016/S0960-894X(96)00542-2 BindingDB Entry DOI: 10.7270/Q24B31TM |
More data for this Ligand-Target Pair | |
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
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UniProtKB/SwissProt
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| 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(...) | BDBM4928
((2R,3R,4S)-4-amino-3-acetamido-2-[methyl(propyl)ca...)Show SMILES [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(C)CCC |r,c:3| Show InChI InChI=1S/C13H21N3O5/c1-4-5-16(3)12(18)11-10(15-7(2)17)8(14)6-9(21-11)13(19)20/h6,8,10-11H,4-5,14H2,1-3H3,(H,15,17)(H,19,20)/t8-,10+,11+/m0/s1 | PDB MMDB
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UniProtKB/SwissProt
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| PC cid PC sid UniChem
Patents
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| Article
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of influenza A sialidase (neuraminidase) |
Bioorg Med Chem Lett 6: 2931-2936 (1996)
Article DOI: 10.1016/S0960-894X(96)00542-2 BindingDB Entry DOI: 10.7270/Q24B31TM |
More data for this Ligand-Target Pair | |
Neuraminidase
(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...) | BDBM50063303
((2R,3R,4S)-3-acetamido-4-amino-2-((1R,2R)-1,2,3-tr...)Show SMILES CC(=O)N[C@@H]1[C@@H](N)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |r,c:7| Show InChI InChI=1S/C11H18N2O7/c1-4(15)13-8-5(12)2-7(11(18)19)20-10(8)9(17)6(16)3-14/h2,5-6,8-10,14,16-17H,3,12H2,1H3,(H,13,15)(H,18,19)/t5-,6+,8+,9+,10+/m0/s1 | PDB MMDB
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| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of influenza A sialidase (neuraminidase) |
Bioorg Med Chem Lett 6: 2931-2936 (1996)
Article DOI: 10.1016/S0960-894X(96)00542-2 BindingDB Entry DOI: 10.7270/Q24B31TM |
More data for this Ligand-Target Pair | |
Neuraminidase
(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...) | BDBM4951
((2R,3R,4S)-4-amino-3-acetamido-2-[methyl(2-phenyle...)Show SMILES [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(C)CCc1ccccc1 |r,c:3| Show InChI InChI=1S/C18H23N3O5/c1-11(22)20-15-13(19)10-14(18(24)25)26-16(15)17(23)21(2)9-8-12-6-4-3-5-7-12/h3-7,10,13,15-16H,8-9,19H2,1-2H3,(H,20,22)(H,24,25)/t13-,15+,16+/m0/s1 | PDB MMDB
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Similars
| Article
| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of influenza A sialidase (neuraminidase) |
Bioorg Med Chem Lett 6: 2931-2936 (1996)
Article DOI: 10.1016/S0960-894X(96)00542-2 BindingDB Entry DOI: 10.7270/Q24B31TM |
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
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UniProtKB/SwissProt
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| 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)) | BDBM4941
((2R,3R,4S)-4-amino-3-acetamido-2-[ethyl(propyl)car...)Show SMILES [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CC)CCC |r,c:3| Show InChI InChI=1S/C14H23N3O5/c1-4-6-17(5-2)13(19)12-11(16-8(3)18)9(15)7-10(22-12)14(20)21/h7,9,11-12H,4-6,15H2,1-3H3,(H,16,18)(H,20,21)/t9-,11+,12+/m0/s1 | PDB MMDB
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Patents
Similars
| Article
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of influenza B sialidase (neuraminidase) |
Bioorg Med Chem Lett 6: 2931-2936 (1996)
Article DOI: 10.1016/S0960-894X(96)00542-2 BindingDB Entry DOI: 10.7270/Q24B31TM |
More data for this Ligand-Target Pair | |
Neuraminidase
(Influenza B virus (B/Lee/40)) | BDBM50063303
((2R,3R,4S)-3-acetamido-4-amino-2-((1R,2R)-1,2,3-tr...)Show SMILES CC(=O)N[C@@H]1[C@@H](N)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |r,c:7| Show InChI InChI=1S/C11H18N2O7/c1-4(15)13-8-5(12)2-7(11(18)19)20-10(8)9(17)6(16)3-14/h2,5-6,8-10,14,16-17H,3,12H2,1H3,(H,13,15)(H,18,19)/t5-,6+,8+,9+,10+/m0/s1 | PDB MMDB
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CHEMBL MMDB PC cid PC sid PDB UniChem
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| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of influenza B sialidase (neuraminidase) |
Bioorg Med Chem Lett 6: 2931-2936 (1996)
Article DOI: 10.1016/S0960-894X(96)00542-2 BindingDB Entry DOI: 10.7270/Q24B31TM |
More data for this Ligand-Target Pair | |
Neuraminidase
(Influenza B virus (B/Lee/40)) | BDBM4937
((2R,3R,4S)-4-amino-2-(diethylcarbamoyl)-3-acetamid...)Show SMILES [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CC)CC |r,c:3| Show InChI InChI=1S/C13H21N3O5/c1-4-16(5-2)12(18)11-10(15-7(3)17)8(14)6-9(21-11)13(19)20/h6,8,10-11H,4-5,14H2,1-3H3,(H,15,17)(H,19,20)/t8-,10+,11+/m0/s1 | PDB MMDB
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Patents
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| Article
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of influenza B sialidase (neuraminidase) |
Bioorg Med Chem Lett 6: 2931-2936 (1996)
Article DOI: 10.1016/S0960-894X(96)00542-2 BindingDB Entry DOI: 10.7270/Q24B31TM |
More data for this Ligand-Target Pair | |
Neuraminidase
(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...) | BDBM4936
((2R,3R,4S)-4-amino-2-(dibutylcarbamoyl)-3-acetamid...)Show SMILES [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCCC)CCCC |r,c:3| Show InChI InChI=1S/C17H29N3O5/c1-4-6-8-20(9-7-5-2)16(22)15-14(19-11(3)21)12(18)10-13(25-15)17(23)24/h10,12,14-15H,4-9,18H2,1-3H3,(H,19,21)(H,23,24)/t12-,14+,15+/m0/s1 | PDB MMDB
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Patents
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| Article
| n/a | n/a | 450 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of influenza A sialidase (neuraminidase) |
Bioorg Med Chem Lett 6: 2931-2936 (1996)
Article DOI: 10.1016/S0960-894X(96)00542-2 BindingDB Entry DOI: 10.7270/Q24B31TM |
More data for this Ligand-Target Pair | |
Neuraminidase
(Influenza B virus (B/Lee/40)) | BDBM4940
((2R,3R,4S)-4-carbamimidamido-2-(dipropylcarbamoyl)...)Show SMILES [H][C@]1([#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)[#6](=O)-[#7](-[#6]-[#6]-[#6])-[#6]-[#6]-[#6] |r,c:3| Show InChI InChI=1S/C16H27N5O5/c1-4-6-21(7-5-2)14(23)13-12(19-9(3)22)10(20-16(17)18)8-11(26-13)15(24)25/h8,10,12-13H,4-7H2,1-3H3,(H,19,22)(H,24,25)(H4,17,18,20)/t10-,12+,13+/m0/s1 | PDB MMDB
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Patents
Similars
| Article
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of influenza B sialidase (neuraminidase) |
Bioorg Med Chem Lett 6: 2931-2936 (1996)
Article DOI: 10.1016/S0960-894X(96)00542-2 BindingDB Entry DOI: 10.7270/Q24B31TM |
More data for this Ligand-Target Pair | |
Neuraminidase
(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...) | BDBM4931
((2R,3R,4S)-4-carbamimidamido-3-acetamido-2-(propyl...)Show SMILES [H][C@]1([#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)[#6](=O)-[#7]-[#6]-[#6]-[#6] |r,c:3| Show InChI InChI=1S/C13H21N5O5/c1-3-4-16-11(20)10-9(17-6(2)19)7(18-13(14)15)5-8(23-10)12(21)22/h5,7,9-10H,3-4H2,1-2H3,(H,16,20)(H,17,19)(H,21,22)(H4,14,15,18)/t7-,9+,10+/m0/s1 | PDB MMDB
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UniProtKB/SwissProt
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| PC cid PC sid UniChem
Patents
Similars
| Article
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of influenza A sialidase (neuraminidase) |
Bioorg Med Chem Lett 6: 2931-2936 (1996)
Article DOI: 10.1016/S0960-894X(96)00542-2 BindingDB Entry DOI: 10.7270/Q24B31TM |
More data for this Ligand-Target Pair | |
Neuraminidase
(Influenza B virus (B/Lee/40)) | BDBM4942
((2R,3R,4S)-4-carbamimidamido-2-(diethylcarbamoyl)-...)Show SMILES [H][C@]1([#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)[#6](=O)-[#7](-[#6]-[#6])-[#6]-[#6] |r,c:3| Show InChI InChI=1S/C14H23N5O5/c1-4-19(5-2)12(21)11-10(17-7(3)20)8(18-14(15)16)6-9(24-11)13(22)23/h6,8,10-11H,4-5H2,1-3H3,(H,17,20)(H,22,23)(H4,15,16,18)/t8-,10+,11+/m0/s1 | PDB MMDB
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UniProtKB/SwissProt
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| PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of influenza B sialidase (neuraminidase) |
Bioorg Med Chem Lett 6: 2931-2936 (1996)
Article DOI: 10.1016/S0960-894X(96)00542-2 BindingDB Entry DOI: 10.7270/Q24B31TM |
More data for this Ligand-Target Pair | |
Neuraminidase
(Influenza B virus (B/Lee/40)) | BDBM50288444
((4S,5R,6R)-5-Acetylamino-4-guanidino-6-(phenethyl-...)Show SMILES [#6]-[#6]-[#6]-[#7](-[#6]-[#6]-c1ccccc1)-[#6](=O)-[#6@@H]-1-[#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](\[#7])-[#7])-[#6@H]-1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O |c:17| Show InChI InChI=1S/C21H29N5O5/c1-3-10-26(11-9-14-7-5-4-6-8-14)19(28)18-17(24-13(2)27)15(25-21(22)23)12-16(31-18)20(29)30/h4-8,12,15,17-18H,3,9-11H2,1-2H3,(H,24,27)(H,29,30)(H4,22,23,25)/t15-,17+,18+/m0/s1 | PDB MMDB
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Patents
Similars
| Article
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of influenza B sialidase (neuraminidase) |
Bioorg Med Chem Lett 6: 2931-2936 (1996)
Article DOI: 10.1016/S0960-894X(96)00542-2 BindingDB Entry DOI: 10.7270/Q24B31TM |
More data for this Ligand-Target Pair | |
Neuraminidase
(Influenza B virus (B/Lee/40)) | BDBM4943
((2R,3R,4S)-4-amino-2-[butyl(propyl)carbamoyl]-3-ac...)Show SMILES [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCC)CCCC |r,c:3| Show InChI InChI=1S/C16H27N3O5/c1-4-6-8-19(7-5-2)15(21)14-13(18-10(3)20)11(17)9-12(24-14)16(22)23/h9,11,13-14H,4-8,17H2,1-3H3,(H,18,20)(H,22,23)/t11-,13+,14+/m0/s1 | PDB MMDB
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UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of influenza B sialidase (neuraminidase) |
Bioorg Med Chem Lett 6: 2931-2936 (1996)
Article DOI: 10.1016/S0960-894X(96)00542-2 BindingDB Entry DOI: 10.7270/Q24B31TM |
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
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B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB Article
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of influenza B sialidase (neuraminidase) |
Bioorg Med Chem Lett 6: 2931-2936 (1996)
Article DOI: 10.1016/S0960-894X(96)00542-2 BindingDB Entry DOI: 10.7270/Q24B31TM |
More data for this Ligand-Target Pair | |
Neuraminidase
(Influenza B virus (B/Lee/40)) | BDBM4929
((2R,3R,4S)-4-amino-2-(dipropylcarbamoyl)-3-acetami...)Show SMILES [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCC)CCC |r,c:3| Show InChI InChI=1S/C15H25N3O5/c1-4-6-18(7-5-2)14(20)13-12(17-9(3)19)10(16)8-11(23-13)15(21)22/h8,10,12-13H,4-7,16H2,1-3H3,(H,17,19)(H,21,22)/t10-,12+,13+/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of influenza B sialidase (neuraminidase) |
Bioorg Med Chem Lett 6: 2931-2936 (1996)
Article DOI: 10.1016/S0960-894X(96)00542-2 BindingDB Entry DOI: 10.7270/Q24B31TM |
More data for this Ligand-Target Pair | |
Neuraminidase
(Influenza B virus (B/Lee/40)) | BDBM4967
((2R,3R,4S)-4-amino-3-acetamido-2-{[2-(4-phenylphen...)Show SMILES [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCC)CCc1ccc(cc1)-c1ccccc1 |r,c:3| Show InChI InChI=1S/C26H31N3O5/c1-3-14-29(15-13-18-9-11-20(12-10-18)19-7-5-4-6-8-19)25(31)24-23(28-17(2)30)21(27)16-22(34-24)26(32)33/h4-12,16,21,23-24H,3,13-15,27H2,1-2H3,(H,28,30)(H,32,33)/t21-,23+,24+/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of influenza B sialidase (neuraminidase) |
Bioorg Med Chem Lett 6: 2931-2936 (1996)
Article DOI: 10.1016/S0960-894X(96)00542-2 BindingDB Entry DOI: 10.7270/Q24B31TM |
More data for this Ligand-Target Pair | |
Neuraminidase
(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...) | BDBM4927
((2R,3R,4S)-4-amino-2-(dimethylcarbamoyl)-3-acetami...)Show SMILES [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(C)C |r,c:3| Show InChI InChI=1S/C11H17N3O5/c1-5(15)13-8-6(12)4-7(11(17)18)19-9(8)10(16)14(2)3/h4,6,8-9H,12H2,1-3H3,(H,13,15)(H,17,18)/t6-,8+,9+/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of influenza A sialidase (neuraminidase) |
Bioorg Med Chem Lett 6: 2931-2936 (1996)
Article DOI: 10.1016/S0960-894X(96)00542-2 BindingDB Entry DOI: 10.7270/Q24B31TM |
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 B virus (B/Lee/40)) | BDBM4931
((2R,3R,4S)-4-carbamimidamido-3-acetamido-2-(propyl...)Show SMILES [H][C@]1([#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)[#6](=O)-[#7]-[#6]-[#6]-[#6] |r,c:3| Show InChI InChI=1S/C13H21N5O5/c1-3-4-16-11(20)10-9(17-6(2)19)7(18-13(14)15)5-8(23-10)12(21)22/h5,7,9-10H,3-4H2,1-2H3,(H,16,20)(H,17,19)(H,21,22)(H4,14,15,18)/t7-,9+,10+/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article
| n/a | n/a | 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of influenza B sialidase (neuraminidase) |
Bioorg Med Chem Lett 6: 2931-2936 (1996)
Article DOI: 10.1016/S0960-894X(96)00542-2 BindingDB Entry DOI: 10.7270/Q24B31TM |
More data for this Ligand-Target Pair | |
Neuraminidase
(Influenza B virus (B/Lee/40)) | BDBM4933
((2R,3R,4S)-4-carbamimidamido-3-acetamido-2-[methyl...)Show SMILES [H][C@]1([#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)[#6](=O)-[#7](-[#6])-[#6]-[#6]-[#6] |r,c:3| Show InChI InChI=1S/C14H23N5O5/c1-4-5-19(3)12(21)11-10(17-7(2)20)8(18-14(15)16)6-9(24-11)13(22)23/h6,8,10-11H,4-5H2,1-3H3,(H,17,20)(H,22,23)(H4,15,16,18)/t8-,10+,11+/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article
| n/a | n/a | 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of influenza B sialidase (neuraminidase) |
Bioorg Med Chem Lett 6: 2931-2936 (1996)
Article DOI: 10.1016/S0960-894X(96)00542-2 BindingDB Entry DOI: 10.7270/Q24B31TM |
More data for this Ligand-Target Pair | |
Neuraminidase
(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...) | BDBM50288446
((4S,5R,6R)-5-Acetylamino-4-guanidino-6-methylcarba...)Show SMILES [#6]-[#7]-[#6](=O)-[#6@@H]-1-[#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](\[#7])-[#7])-[#6@H]-1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O |c:6| Show InChI InChI=1S/C11H17N5O5/c1-4(17)15-7-5(16-11(12)13)3-6(10(19)20)21-8(7)9(18)14-2/h3,5,7-8H,1-2H3,(H,14,18)(H,15,17)(H,19,20)(H4,12,13,16)/t5-,7+,8+/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of influenza A sialidase (neuraminidase) |
Bioorg Med Chem Lett 6: 2931-2936 (1996)
Article DOI: 10.1016/S0960-894X(96)00542-2 BindingDB Entry DOI: 10.7270/Q24B31TM |
More data for this Ligand-Target Pair | |
Neuraminidase
(Influenza B virus (B/Lee/40)) | BDBM4952
((2R,3R,4S)-4-amino-3-acetamido-2-[ethyl(2-phenylet...)Show SMILES [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CC)CCc1ccccc1 |r,c:3| Show InChI InChI=1S/C19H25N3O5/c1-3-22(10-9-13-7-5-4-6-8-13)18(24)17-16(21-12(2)23)14(20)11-15(27-17)19(25)26/h4-8,11,14,16-17H,3,9-10,20H2,1-2H3,(H,21,23)(H,25,26)/t14-,16+,17+/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+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of influenza B sialidase (neuraminidase) |
Bioorg Med Chem Lett 6: 2931-2936 (1996)
Article DOI: 10.1016/S0960-894X(96)00542-2 BindingDB Entry DOI: 10.7270/Q24B31TM |
More data for this Ligand-Target Pair | |
Neuraminidase
(Influenza B virus (B/Lee/40)) | BDBM4932
((2R,3R,4S)-4-carbamimidamido-2-(dimethylcarbamoyl)...)Show SMILES [H][C@]1([#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)[#6](=O)-[#7](-[#6])-[#6] |r,c:3| Show InChI InChI=1S/C12H19N5O5/c1-5(18)15-8-6(16-12(13)14)4-7(11(20)21)22-9(8)10(19)17(2)3/h4,6,8-9H,1-3H3,(H,15,18)(H,20,21)(H4,13,14,16)/t6-,8+,9+/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article
| n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of influenza B sialidase (neuraminidase) |
Bioorg Med Chem Lett 6: 2931-2936 (1996)
Article DOI: 10.1016/S0960-894X(96)00542-2 BindingDB Entry DOI: 10.7270/Q24B31TM |
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 Inhibition of influenza A sialidase (neuraminidase) |
Bioorg Med Chem Lett 6: 2931-2936 (1996)
Article DOI: 10.1016/S0960-894X(96)00542-2 BindingDB Entry DOI: 10.7270/Q24B31TM |
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(...) | BDBM50288447
((4S,5R,6R)-5-Acetylamino-4-amino-6-ethylcarbamoyl-...)Show SMILES CCNC(=O)[C@@H]1OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O |c:7| Show InChI InChI=1S/C11H17N3O5/c1-3-13-10(16)9-8(14-5(2)15)6(12)4-7(19-9)11(17)18/h4,6,8-9H,3,12H2,1-2H3,(H,13,16)(H,14,15)(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 | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of influenza A sialidase (neuraminidase) |
Bioorg Med Chem Lett 6: 2931-2936 (1996)
Article DOI: 10.1016/S0960-894X(96)00542-2 BindingDB Entry DOI: 10.7270/Q24B31TM |
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 | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50254701
(6-(3-bromophenylamino)-4-cyclopropyl-N-((tetrahydr...)Show SMILES Brc1cccc(Nc2cc(C3CC3)c(cn2)C(=O)NCC2CCOCC2)c1 Show InChI InChI=1S/C21H24BrN3O2/c22-16-2-1-3-17(10-16)25-20-11-18(15-4-5-15)19(13-23-20)21(26)24-12-14-6-8-27-9-7-14/h1-3,10-11,13-15H,4-9,12H2,(H,23,25)(H,24,26) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline PLC
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 19: 259-63 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.118 BindingDB Entry DOI: 10.7270/Q2R78F25 |
More data for this Ligand-Target Pair | |