Found 5 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 |
Seed linoleate 13S-lipoxygenase-1
(Glycine max (soybean)) | BDBM50225145
((E)-3-benzo[1,3]dioxol-5-yl-1-(3-methyl-1,4-dioxy-...)Show SMILES Cc1c(C(=O)\C=C\c2ccc3OCOc3c2)[n+]([O-])c2ccccc2[n+]1[O-] Show InChI InChI=1S/C19H14N2O5/c1-12-19(21(24)15-5-3-2-4-14(15)20(12)23)16(22)8-6-13-7-9-17-18(10-13)26-11-25-17/h2-10H,11H2,1H3/b8-6+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Navarra
Curated by ChEMBL
| Assay Description Inhibition of soybean lipoxygenase |
Bioorg Med Chem Lett 17: 6439-43 (2007)
Article DOI: 10.1016/j.bmcl.2007.10.002 BindingDB Entry DOI: 10.7270/Q2XW4JJ8 |
More data for this Ligand-Target Pair | |
Seed linoleate 13S-lipoxygenase-1
(Glycine max (soybean)) | BDBM50225142
((E)-1-(3-methyl-1,4-dioxy-quinoxalin-2-yl)-3-(3,4,...)Show SMILES COc1cc(\C=C\C(=O)c2c(C)[n+]([O-])c3ccccc3[n+]2[O-])cc(OC)c1OC Show InChI InChI=1S/C21H20N2O6/c1-13-20(23(26)16-8-6-5-7-15(16)22(13)25)17(24)10-9-14-11-18(27-2)21(29-4)19(12-14)28-3/h5-12H,1-4H3/b10-9+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Navarra
Curated by ChEMBL
| Assay Description Inhibition of soybean lipoxygenase |
Bioorg Med Chem Lett 17: 6439-43 (2007)
Article DOI: 10.1016/j.bmcl.2007.10.002 BindingDB Entry DOI: 10.7270/Q2XW4JJ8 |
More data for this Ligand-Target Pair | |
Seed linoleate 13S-lipoxygenase-1
(Glycine max (soybean)) | BDBM50225144
(6-fluoro-2-methyl-3-[5-(3,4,5-trimethoxy-phenyl)-4...)Show SMILES COc1cc(cc(OC)c1OC)C1C[C-](N=[NH+]1)c1c(C)[n+]([O-])c2ccc(F)cc2[n+]1[O-] |c:16| Show InChI InChI=1S/C21H20FN4O5/c1-11-20(26(28)17-9-13(22)5-6-16(17)25(11)27)15-10-14(23-24-15)12-7-18(29-2)21(31-4)19(8-12)30-3/h5-9,14H,10H2,1-4H3/q-1/p+1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Navarra
Curated by ChEMBL
| Assay Description Inhibition of soybean lipoxygenase |
Bioorg Med Chem Lett 17: 6439-43 (2007)
Article DOI: 10.1016/j.bmcl.2007.10.002 BindingDB Entry DOI: 10.7270/Q2XW4JJ8 |
More data for this Ligand-Target Pair | |
Seed linoleate 13S-lipoxygenase-1
(Glycine max (soybean)) | BDBM50225146
((E)-1-(7-fluoro-3-methyl-1,4-dioxy-quinoxalin-2-yl...)Show SMILES COc1cc(\C=C\C(=O)c2c(C)[n+]([O-])c3ccc(F)cc3[n+]2[O-])ccc1O Show InChI InChI=1S/C19H15FN2O5/c1-11-19(22(26)15-10-13(20)5-6-14(15)21(11)25)17(24)8-4-12-3-7-16(23)18(9-12)27-2/h3-10,23H,1-2H3/b8-4+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Navarra
Curated by ChEMBL
| Assay Description Inhibition of soybean lipoxygenase |
Bioorg Med Chem Lett 17: 6439-43 (2007)
Article DOI: 10.1016/j.bmcl.2007.10.002 BindingDB Entry DOI: 10.7270/Q2XW4JJ8 |
More data for this Ligand-Target Pair | |
Seed linoleate 13S-lipoxygenase-1
(Glycine max (soybean)) | BDBM4375
((2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid | (2...)Show InChI InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 6.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Navarra
Curated by ChEMBL
| Assay Description Inhibition of soybean lipoxygenase |
Bioorg Med Chem Lett 17: 6439-43 (2007)
Article DOI: 10.1016/j.bmcl.2007.10.002 BindingDB Entry DOI: 10.7270/Q2XW4JJ8 |
More data for this Ligand-Target Pair | |