Found 10 hits of Enzyme Inhibition Constant Data 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) | BDBM50143052
(CHEMBL3760001)Show SMILES [H][C@]12OC[C@H](O[C@]1([H])[C@@H](OC(=O)\C=C\c1ccc(O)c(O)c1)[C@H](O)[C@@H](CO)O2)c1ccccc1 |r| Show InChI InChI=1S/C6H7N5O/c1-11-2-8-3-4(11)9-6(7)10-5(3)12/h2H,1H3,(H3,7,9,10,12) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.24E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Central South University
Curated by ChEMBL
| Assay Description
Inhibition of Influenza A virus neuraminidase |
Eur J Med Chem 109: 199-205 (2016)
Article DOI: 10.1016/j.ejmech.2015.12.031
BindingDB Entry DOI: 10.7270/Q29S1SVF |
More data for this
Ligand-Target Pair | |
Neuraminidase
(Influenza A virus) | BDBM50143056
(CHEMBL3759877)Show SMILES [H][C@]12OC[C@H](O[C@]1([H])[C@@H](OC(=O)\C=C\c1cccc(OC)c1)[C@H](O)[C@@H](CO)O2)c1ccccc1 |r| Show InChI InChI=1S/C17H21N7O4/c1-2-17(8-25,9-26)7-19-14(27)10-4-3-5-11(6-10)24-22-12-13(23-24)20-16(18)21-15(12)28/h3-6,25-26H,2,7-9H2,1H3,(H,19,27)(H3,18,20,21,23,28) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.69E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Central South University
Curated by ChEMBL
| Assay Description
Inhibition of Influenza A virus neuraminidase |
Eur J Med Chem 109: 199-205 (2016)
Article DOI: 10.1016/j.ejmech.2015.12.031
BindingDB Entry DOI: 10.7270/Q29S1SVF |
More data for this
Ligand-Target Pair | |
Neuraminidase
(Influenza A virus) | BDBM50143053
(CHEMBL3759493)Show SMILES [H][C@]12OC[C@@H](O[C@]1([H])[C@@H](OC(=O)\C=C\c1ccc(O)c(O)c1)[C@H](O)[C@@H](CO)O2)c1ccccc1 |r| Show InChI InChI=1S/C19H23N7O3/c20-19-22-16-15(18(29)23-19)24-26(25-16)13-7-4-6-11(9-13)17(28)21-10-12-5-2-1-3-8-14(12)27/h4,6-7,9,12,14,27H,1-3,5,8,10H2,(H,21,28)(H3,20,22,23,25,29)/t12-,14+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.72E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Central South University
Curated by ChEMBL
| Assay Description
Inhibition of Influenza A virus neuraminidase |
Eur J Med Chem 109: 199-205 (2016)
Article DOI: 10.1016/j.ejmech.2015.12.031
BindingDB Entry DOI: 10.7270/Q29S1SVF |
More data for this
Ligand-Target Pair | |
Neuraminidase
(Influenza A virus) | BDBM50143058
(CHEMBL3758438)Show SMILES [H][C@]12OC[C@@H](O[C@]1([H])[C@@H](OC(=O)\C=C\c1cccc(OC)c1)[C@H](O)[C@@H](CO)O2)c1ccccc1 |r| Show InChI InChI=1S/C20H17N7O3/c21-20-23-17-16(19(29)24-20)25-27(26-17)14-3-1-2-13(9-14)18(28)22-10-11-4-5-15-12(8-11)6-7-30-15/h1-5,8-9H,6-7,10H2,(H,22,28)(H3,21,23,24,26,29) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.69E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Central South University
Curated by ChEMBL
| Assay Description
Inhibition of Influenza A virus neuraminidase |
Eur J Med Chem 109: 199-205 (2016)
Article DOI: 10.1016/j.ejmech.2015.12.031
BindingDB Entry DOI: 10.7270/Q29S1SVF |
More data for this
Ligand-Target Pair | |
Neuraminidase
(Influenza A virus) | BDBM50143049
(Crenatoside)Show SMILES [H][C@@]1(O[C@H]2[C@H](OC(=O)\C=C\c3ccc(O)c(O)c3)[C@@H](CO)O[C@@]3([H])OC[C@@H](O[C@]23[H])c2ccc(O)c(O)c2)O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C25H21N7O3S/c26-25-28-22-21(24(35)29-25)30-32(31-22)18-9-5-8-15(12-18)23(34)27-13-16-6-1-3-10-19(16)36-20-11-4-2-7-17(20)14-33/h1-12,33H,13-14H2,(H,27,34)(H3,26,28,29,31,35) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.44E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Central South University
Curated by ChEMBL
| Assay Description
Inhibition of Influenza A virus neuraminidase |
Eur J Med Chem 109: 199-205 (2016)
Article DOI: 10.1016/j.ejmech.2015.12.031
BindingDB Entry DOI: 10.7270/Q29S1SVF |
More data for this
Ligand-Target Pair | |
Neuraminidase
(Influenza A virus) | BDBM50143054
(CHEMBL3758909)Show SMILES [H][C@]12OC[C@H](O[C@]1([H])[C@@H](OC(=O)\C=C\c1ccc(O)cc1)[C@H](O)[C@@H](CO)O2)c1ccccc1 |r| Show InChI InChI=1S/C24H19N7O3/c25-24-27-21-20(23(33)28-24)29-31(30-21)17-6-4-5-16(13-17)22(32)26-14-15-9-11-19(12-10-15)34-18-7-2-1-3-8-18/h1-13H,14H2,(H,26,32)(H3,25,27,28,30,33) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.82E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Central South University
Curated by ChEMBL
| Assay Description
Inhibition of Influenza A virus neuraminidase |
Eur J Med Chem 109: 199-205 (2016)
Article DOI: 10.1016/j.ejmech.2015.12.031
BindingDB Entry DOI: 10.7270/Q29S1SVF |
More data for this
Ligand-Target Pair | |
Neuraminidase
(Influenza A virus) | BDBM50143048
(Isocrenatoside)Show SMILES [H][C@@]1(O[C@H]2[C@H](O)[C@@H](COC(=O)\C=C\c3ccc(O)c(O)c3)O[C@@]3([H])OC[C@@H](O[C@]23[H])c2ccc(O)c(O)c2)O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C18H21N7O3/c19-17-21-14-13(16(27)22-17)23-25(24-14)12-6-4-5-11(9-12)15(26)20-10-18(28)7-2-1-3-8-18/h4-6,9,28H,1-3,7-8,10H2,(H,20,26)(H3,19,21,22,24,27) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.86E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Central South University
Curated by ChEMBL
| Assay Description
Inhibition of Influenza A virus neuraminidase |
Eur J Med Chem 109: 199-205 (2016)
Article DOI: 10.1016/j.ejmech.2015.12.031
BindingDB Entry DOI: 10.7270/Q29S1SVF |
More data for this
Ligand-Target Pair | |
Neuraminidase
(Influenza A virus) | BDBM50143050
(CHEMBL3759226)Show SMILES [H][C@]12OC[C@H](O[C@]1([H])[C@@H](OC(=O)[C@H](N)CCSC)[C@H](O)[C@@H](CO)O2)c1ccccc1 |r| Show InChI InChI=1S/C18H21N7O3/c19-18-21-15-14(17(28)22-18)23-25(24-15)12-6-3-5-10(8-12)16(27)20-9-11-4-1-2-7-13(11)26/h3,5-6,8,11,13,26H,1-2,4,7,9H2,(H,20,27)(H3,19,21,22,24,28)/t11-,13+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.88E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Central South University
Curated by ChEMBL
| Assay Description
Inhibition of Influenza A virus neuraminidase |
Eur J Med Chem 109: 199-205 (2016)
Article DOI: 10.1016/j.ejmech.2015.12.031
BindingDB Entry DOI: 10.7270/Q29S1SVF |
More data for this
Ligand-Target Pair | |
Neuraminidase
(Influenza A virus) | BDBM50143051
(CHEMBL3758503)Show SMILES [H][C@]12OC[C@@H](O[C@]1([H])[C@@H](OC(=O)[C@H](N)CCSC)[C@H](O)[C@@H](CO)O2)c1ccccc1 |r| Show InChI InChI=1S/C15H17N7O3/c16-15-18-12-11(14(25)19-15)20-22(21-12)10-5-3-4-9(8-10)13(24)17-6-1-2-7-23/h3-5,8,23H,1-2,6-7H2,(H,17,24)(H3,16,18,19,21,25) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.16E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Central South University
Curated by ChEMBL
| Assay Description
Inhibition of Influenza A virus neuraminidase |
Eur J Med Chem 109: 199-205 (2016)
Article DOI: 10.1016/j.ejmech.2015.12.031
BindingDB Entry DOI: 10.7270/Q29S1SVF |
More data for this
Ligand-Target Pair | |
Neuraminidase
(Influenza A virus) | BDBM50143055
(CHEMBL3759004)Show SMILES [H][C@]12OC[C@@H](O[C@]1([H])[C@@H](OC(=O)\C=C\c1ccc(O)cc1)[C@H](O)[C@@H](CO)O2)c1ccccc1 |r| Show InChI InChI=1S/C16H12Cl2N4O2/c17-12-3-1-9(5-13(12)18)7-22(8-23)10-2-4-14-11(6-10)15(24)21-16(19)20-14/h1-6,8H,7H2,(H3,19,20,21,24) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.28E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Central South University
Curated by ChEMBL
| Assay Description
Inhibition of Influenza A virus neuraminidase |
Eur J Med Chem 109: 199-205 (2016)
Article DOI: 10.1016/j.ejmech.2015.12.031
BindingDB Entry DOI: 10.7270/Q29S1SVF |
More data for this
Ligand-Target Pair | |
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