Found 6 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 |
|---|
Polyphenol oxidase 2
(Agaricus bisporus (Common mushroom)) | BDBM50021417
(CHEMBL3289924)Show SMILES CCOC(OCC)c1ccc(\C=C2/CCC\C(=C/c3ccc(cc3)C(OCC)OCC)C2=O)cc1 Show InChI InChI=1S/C30H38O5/c1-5-32-29(33-6-2)24-16-12-22(13-17-24)20-26-10-9-11-27(28(26)31)21-23-14-18-25(19-15-23)30(34-7-3)35-8-4/h12-21,29-30H,5-11H2,1-4H3/b26-20+,27-21+ | UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50021417
(CHEMBL3289924)Show SMILES CCOC(OCC)c1ccc(\C=C2/CCC\C(=C/c3ccc(cc3)C(OCC)OCC)C2=O)cc1 Show InChI InChI=1S/C30H38O5/c1-5-32-29(33-6-2)24-16-12-22(13-17-24)20-26-10-9-11-27(28(26)31)21-23-14-18-25(19-15-23)30(34-7-3)35-8-4/h12-21,29-30H,5-11H2,1-4H3/b26-20+,27-21+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.77E+3 | 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 | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50021417
(CHEMBL3289924)Show SMILES CCOC(OCC)c1ccc(\C=C2/CCC\C(=C/c3ccc(cc3)C(OCC)OCC)C2=O)cc1 Show InChI InChI=1S/C30H38O5/c1-5-32-29(33-6-2)24-16-12-22(13-17-24)20-26-10-9-11-27(28(26)31)21-23-14-18-25(19-15-23)30(34-7-3)35-8-4/h12-21,29-30H,5-11H2,1-4H3/b26-20+,27-21+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.24E+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 | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50021417
(CHEMBL3289924)Show SMILES CCOC(OCC)c1ccc(\C=C2/CCC\C(=C/c3ccc(cc3)C(OCC)OCC)C2=O)cc1 Show InChI InChI=1S/C30H38O5/c1-5-32-29(33-6-2)24-16-12-22(13-17-24)20-26-10-9-11-27(28(26)31)21-23-14-18-25(19-15-23)30(34-7-3)35-8-4/h12-21,29-30H,5-11H2,1-4H3/b26-20+,27-21+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.74E+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)) | BDBM50021417
(CHEMBL3289924)Show SMILES CCOC(OCC)c1ccc(\C=C2/CCC\C(=C/c3ccc(cc3)C(OCC)OCC)C2=O)cc1 Show InChI InChI=1S/C30H38O5/c1-5-32-29(33-6-2)24-16-12-22(13-17-24)20-26-10-9-11-27(28(26)31)21-23-14-18-25(19-15-23)30(34-7-3)35-8-4/h12-21,29-30H,5-11H2,1-4H3/b26-20+,27-21+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.37E+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 | |
Lipoxygenase
(Glycine max) | BDBM50021417
(CHEMBL3289924)Show SMILES CCOC(OCC)c1ccc(\C=C2/CCC\C(=C/c3ccc(cc3)C(OCC)OCC)C2=O)cc1 Show InChI InChI=1S/C30H38O5/c1-5-32-29(33-6-2)24-16-12-22(13-17-24)20-26-10-9-11-27(28(26)31)21-23-14-18-25(19-15-23)30(34-7-3)35-8-4/h12-21,29-30H,5-11H2,1-4H3/b26-20+,27-21+ | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8.31E+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 | |