Found 12 hits Enz. Inhib. hit(s) with all data for entry = 50048526 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(...) | BDBM50219990
(CHEMBL293938)Show SMILES OC(=O)C(F)(F)F.[H][C@@](F)([C@H](O)CO)[C@]1([H])OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O |c:16| Show InChI InChI=1S/C12H19FN4O6/c1-4(19)16-9-5(17-12(14)15)2-7(11(21)22)23-10(9)8(13)6(20)3-18/h2,5-6,8-10,18,20H,3H2,1H3,(H,16,19)(H,21,22)(H4,14,15,17)/t5-,6+,8+,9+,10-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.78 | n/a | n/a | n/a | n/a | n/a | n/a |
Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of sialidase activity |
Bioorg Med Chem Lett 12: 1921-4 (2002)
BindingDB Entry DOI: 10.7270/Q2W37ZHP |
More data for this
Ligand-Target Pair | |
Neuraminidase
(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...) | BDBM50219984
(CHEMBL299915)Show SMILES OC(=O)C(F)(F)F.[H][C@@](N=[N+]=[N-])([C@H](O)CO)[C@]1([H])OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O |c:18| Show InChI InChI=1S/C12H19N7O6/c1-4(21)16-8-5(17-12(13)14)2-7(11(23)24)25-10(8)9(18-19-15)6(22)3-20/h2,5-6,8-10,20,22H,3H2,1H3,(H,16,21)(H,23,24)(H4,13,14,17)/t5-,6+,8+,9+,10+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.39 | n/a | n/a | n/a | n/a | n/a | n/a |
Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of sialidase activity |
Bioorg Med Chem Lett 12: 1921-4 (2002)
BindingDB Entry DOI: 10.7270/Q2W37ZHP |
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
PubMed
| n/a | n/a | 5.42 | n/a | n/a | n/a | n/a | n/a | n/a |
Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of sialidase activity |
Bioorg Med Chem Lett 12: 1921-4 (2002)
BindingDB Entry DOI: 10.7270/Q2W37ZHP |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Neuraminidase
(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...) | BDBM50219982
(CHEMBL436160)Show SMILES [#8]-[#6](=O)C(F)(F)F.[H][C@]1([#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)[#6@H](-[#8]-[#6])-[#6@H](-[#8])-[#6]-[#8] |c:9| Show InChI InChI=1S/C13H22N4O7/c1-5(19)16-9-6(17-13(14)15)3-8(12(21)22)24-11(9)10(23-2)7(20)4-18/h3,6-7,9-11,18,20H,4H2,1-2H3,(H,16,19)(H,21,22)(H4,14,15,17)/t6-,7+,9+,10+,11+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 13.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of sialidase activity |
Bioorg Med Chem Lett 12: 1921-4 (2002)
BindingDB Entry DOI: 10.7270/Q2W37ZHP |
More data for this
Ligand-Target Pair | |
Neuraminidase
(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...) | BDBM50219987
(CHEMBL57127)Show SMILES [#8]-[#6](=O)C(F)(F)F.[H][C@@]([#7]-[#6](=O)-[#6]-[#6])([#6@H](-[#8])-[#6]-[#8])[C@]1([H])[#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O |c:20| Show InChI InChI=1S/C15H25N5O7/c1-3-10(24)20-12(8(23)5-21)13-11(18-6(2)22)7(19-15(16)17)4-9(27-13)14(25)26/h4,7-8,11-13,21,23H,3,5H2,1-2H3,(H,18,22)(H,20,24)(H,25,26)(H4,16,17,19)/t7-,8+,11+,12+,13+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 19.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of sialidase activity |
Bioorg Med Chem Lett 12: 1921-4 (2002)
BindingDB Entry DOI: 10.7270/Q2W37ZHP |
More data for this
Ligand-Target Pair | |
Neuraminidase
(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...) | BDBM50219986
(CHEMBL56859)Show SMILES [#8]-[#6](=O)C(F)(F)F.[H][C@]1([#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)[#6@H](-[#8]-[#6]-[#6])-[#6@H](-[#8])-[#6]-[#8] |c:9| Show InChI InChI=1S/C14H24N4O7/c1-3-24-11(8(21)5-19)12-10(17-6(2)20)7(18-14(15)16)4-9(25-12)13(22)23/h4,7-8,10-12,19,21H,3,5H2,1-2H3,(H,17,20)(H,22,23)(H4,15,16,18)/t7-,8+,10+,11+,12+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 30.8 | n/a | n/a | n/a | n/a | n/a | n/a |
Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of sialidase activity |
Bioorg Med Chem Lett 12: 1921-4 (2002)
BindingDB Entry DOI: 10.7270/Q2W37ZHP |
More data for this
Ligand-Target Pair | |
Neuraminidase
(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...) | BDBM50219985
(CHEMBL56107)Show SMILES [#8]-[#6](=O)C(F)(F)F.[H][C@@]([#7]-[#6](-[#6])=O)([#6@H](-[#8])-[#6]-[#8])[C@]1([H])[#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O |c:19| Show InChI InChI=1S/C14H23N5O7/c1-5(21)17-10-7(19-14(15)16)3-9(13(24)25)26-12(10)11(8(23)4-20)18-6(2)22/h3,7-8,10-12,20,23H,4H2,1-2H3,(H,17,21)(H,18,22)(H,24,25)(H4,15,16,19)/t7-,8+,10+,11+,12+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 37.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of sialidase activity |
Bioorg Med Chem Lett 12: 1921-4 (2002)
BindingDB Entry DOI: 10.7270/Q2W37ZHP |
More data for this
Ligand-Target Pair | |
Neuraminidase
(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...) | BDBM50219989
(CHEMBL264282)Show SMILES [#8]-[#6](=O)C(F)(F)F.[H][C@@]([#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6])([#6@H](-[#8])-[#6]-[#8])[C@]1([H])[#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O |c:33| Show InChI InChI=1S/C28H51N5O7/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23(37)33-25(21(36)18-34)26-24(31-19(2)35)20(32-28(29)30)17-22(40-26)27(38)39/h17,20-21,24-26,34,36H,3-16,18H2,1-2H3,(H,31,35)(H,33,37)(H,38,39)(H4,29,30,32)/t20-,21+,24+,25+,26+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 68.7 | n/a | n/a | n/a | n/a | n/a | n/a |
Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of sialidase activity |
Bioorg Med Chem Lett 12: 1921-4 (2002)
BindingDB Entry DOI: 10.7270/Q2W37ZHP |
More data for this
Ligand-Target Pair | |
Neuraminidase
(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...) | BDBM50219981
(CHEMBL298834)Show SMILES OC(=O)C(F)(F)F.[H][C@@](N)([C@H](O)CO)[C@]1([H])OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O |c:16| Show InChI InChI=1S/C12H21N5O6/c1-4(19)16-9-5(17-12(14)15)2-7(11(21)22)23-10(9)8(13)6(20)3-18/h2,5-6,8-10,18,20H,3,13H2,1H3,(H,16,19)(H,21,22)(H4,14,15,17)/t5-,6+,8+,9+,10-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 84 | n/a | n/a | n/a | n/a | n/a | n/a |
Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of sialidase activity |
Bioorg Med Chem Lett 12: 1921-4 (2002)
BindingDB Entry DOI: 10.7270/Q2W37ZHP |
More data for this
Ligand-Target Pair | |
Neuraminidase
(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...) | BDBM50219983
(CHEMBL56658)Show SMILES [#8]-[#6](=O)C(F)(F)F.[H][C@@]([#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6])([#6@H](-[#8])-[#6]-[#8])[C@]1([H])[#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O |c:25| Show InChI InChI=1S/C20H35N5O7/c1-3-4-5-6-7-8-15(29)25-17(13(28)10-26)18-16(23-11(2)27)12(24-20(21)22)9-14(32-18)19(30)31/h9,12-13,16-18,26,28H,3-8,10H2,1-2H3,(H,23,27)(H,25,29)(H,30,31)(H4,21,22,24)/t12-,13+,16+,17+,18+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 84 | n/a | n/a | n/a | n/a | n/a | n/a |
Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of sialidase activity |
Bioorg Med Chem Lett 12: 1921-4 (2002)
BindingDB Entry DOI: 10.7270/Q2W37ZHP |
More data for this
Ligand-Target Pair | |
Neuraminidase
(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...) | BDBM50219980
(CHEMBL416320)Show SMILES [#8]-[#6](=O)C(F)(F)F.[H][C@@]1([#6]-[#6@H](-[#8])-[#6]-[#8])[#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O |c:14| Show InChI InChI=1S/C12H20N4O6/c1-5(18)15-10-7(16-12(13)14)3-9(11(20)21)22-8(10)2-6(19)4-17/h3,6-8,10,17,19H,2,4H2,1H3,(H,15,18)(H,20,21)(H4,13,14,16)/t6-,7-,8-,10+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 93 | n/a | n/a | n/a | n/a | n/a | n/a |
Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of sialidase activity |
Bioorg Med Chem Lett 12: 1921-4 (2002)
BindingDB Entry DOI: 10.7270/Q2W37ZHP |
More data for this
Ligand-Target Pair | |
Neuraminidase
(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...) | BDBM50219988
(CHEMBL57832)Show SMILES OC(=O)C(F)(F)F.[H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)C(F)(F)[C@H](O)CO |c:9| Show InChI InChI=1S/C12H18F2N4O6/c1-4(20)17-8-5(18-11(15)16)2-6(10(22)23)24-9(8)12(13,14)7(21)3-19/h2,5,7-9,19,21H,3H2,1H3,(H,17,20)(H,22,23)(H4,15,16,18)/t5-,7+,8+,9+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of sialidase activity |
Bioorg Med Chem Lett 12: 1921-4 (2002)
BindingDB Entry DOI: 10.7270/Q2W37ZHP |
More data for this
Ligand-Target Pair | |
Search and Browse
