Found 5 hits in this display 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 |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50021418
(CHEMBL3289925)Show SMILES CCOC(OCC)c1ccc(\C=C2/COC\C(=C/c3ccc(cc3)C(OCC)OCC)C2=O)cc1 Show InChI InChI=1S/C29H36O6/c1-5-32-28(33-6-2)23-13-9-21(10-14-23)17-25-19-31-20-26(27(25)30)18-22-11-15-24(16-12-22)29(34-7-3)35-8-4/h9-18,28-29H,5-8,19-20H2,1-4H3/b25-17+,26-18+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 990 | n/a | n/a | n/a | n/a | n/a | n/a |
Universiti Kebangsaan Malaysia
Curated by ChEMBL
| Assay Description Inhibition of ovine COX1 using arachidonic acid substrate assessed as PGE2 production ELISA method after 2 mins |
Bioorg Med Chem 22: 4151-61 (2014)
Article DOI: 10.1016/j.bmc.2014.05.052 BindingDB Entry DOI: 10.7270/Q2GX4D6F |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50021418
(CHEMBL3289925)Show SMILES CCOC(OCC)c1ccc(\C=C2/COC\C(=C/c3ccc(cc3)C(OCC)OCC)C2=O)cc1 Show InChI InChI=1S/C29H36O6/c1-5-32-28(33-6-2)23-13-9-21(10-14-23)17-25-19-31-20-26(27(25)30)18-22-11-15-24(16-12-22)29(34-7-3)35-8-4/h9-18,28-29H,5-8,19-20H2,1-4H3/b25-17+,26-18+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.12E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universiti Kebangsaan Malaysia
Curated by ChEMBL
| Assay Description Inhibition of human recombinant COX2 using arachidonic acid substrate assessed as PGE2 production ELISA method after 2 mins |
Bioorg Med Chem 22: 4151-61 (2014)
Article DOI: 10.1016/j.bmc.2014.05.052 BindingDB Entry DOI: 10.7270/Q2GX4D6F |
More data for this Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50021418
(CHEMBL3289925)Show SMILES CCOC(OCC)c1ccc(\C=C2/COC\C(=C/c3ccc(cc3)C(OCC)OCC)C2=O)cc1 Show InChI InChI=1S/C29H36O6/c1-5-32-28(33-6-2)23-13-9-21(10-14-23)17-25-19-31-20-26(27(25)30)18-22-11-15-24(16-12-22)29(34-7-3)35-8-4/h9-18,28-29H,5-8,19-20H2,1-4H3/b25-17+,26-18+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.85E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universiti Kebangsaan Malaysia
Curated by ChEMBL
| Assay Description Inhibition of BuChE (unknown origin) after 5 mins by Ellman's method |
Eur J Med Chem 83: 355-65 (2014)
Article DOI: 10.1016/j.ejmech.2014.06.034 BindingDB Entry DOI: 10.7270/Q2862J10 |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50021418
(CHEMBL3289925)Show SMILES CCOC(OCC)c1ccc(\C=C2/COC\C(=C/c3ccc(cc3)C(OCC)OCC)C2=O)cc1 Show InChI InChI=1S/C29H36O6/c1-5-32-28(33-6-2)23-13-9-21(10-14-23)17-25-19-31-20-26(27(25)30)18-22-11-15-24(16-12-22)29(34-7-3)35-8-4/h9-18,28-29H,5-8,19-20H2,1-4H3/b25-17+,26-18+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.12E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universiti Kebangsaan Malaysia
Curated by ChEMBL
| Assay Description Inhibition of AChE (unknown origin) after 5 mins by Ellman's method |
Eur J Med Chem 83: 355-65 (2014)
Article DOI: 10.1016/j.ejmech.2014.06.034 BindingDB Entry DOI: 10.7270/Q2862J10 |
More data for this Ligand-Target Pair | |
Lipoxygenase
(Glycine max) | BDBM50021418
(CHEMBL3289925)Show SMILES CCOC(OCC)c1ccc(\C=C2/COC\C(=C/c3ccc(cc3)C(OCC)OCC)C2=O)cc1 Show InChI InChI=1S/C29H36O6/c1-5-32-28(33-6-2)23-13-9-21(10-14-23)17-25-19-31-20-26(27(25)30)18-22-11-15-24(16-12-22)29(34-7-3)35-8-4/h9-18,28-29H,5-8,19-20H2,1-4H3/b25-17+,26-18+ | UniProtKB/TrEMBL
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universiti Kebangsaan Malaysia
Curated by ChEMBL
| Assay Description Inhibition of soybean lipoxygenase after 5 mins by colorimetric assay |
Bioorg Med Chem 22: 4151-61 (2014)
Article DOI: 10.1016/j.bmc.2014.05.052 BindingDB Entry DOI: 10.7270/Q2GX4D6F |
More data for this Ligand-Target Pair | |