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)) | BDBM50021473
(CHEMBL3289939)Show SMILES CN(C)c1ccc(\C=C\C(=O)\C=C\c2ccc(cc2[N+]([O-])=O)N(C)C)c(c1)[N+]([O-])=O Show InChI InChI=1S/C21H22N4O5/c1-22(2)17-9-5-15(20(13-17)24(27)28)7-11-19(26)12-8-16-6-10-18(23(3)4)14-21(16)25(29)30/h5-14H,1-4H3/b11-7+,12-8+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.96E+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 | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50021473
(CHEMBL3289939)Show SMILES CN(C)c1ccc(\C=C\C(=O)\C=C\c2ccc(cc2[N+]([O-])=O)N(C)C)c(c1)[N+]([O-])=O Show InChI InChI=1S/C21H22N4O5/c1-22(2)17-9-5-15(20(13-17)24(27)28)7-11-19(26)12-8-16-6-10-18(23(3)4)14-21(16)25(29)30/h5-14H,1-4H3/b11-7+,12-8+ | 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 | 1.50E+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 | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50021473
(CHEMBL3289939)Show SMILES CN(C)c1ccc(\C=C\C(=O)\C=C\c2ccc(cc2[N+]([O-])=O)N(C)C)c(c1)[N+]([O-])=O Show InChI InChI=1S/C21H22N4O5/c1-22(2)17-9-5-15(20(13-17)24(27)28)7-11-19(26)12-8-16-6-10-18(23(3)4)14-21(16)25(29)30/h5-14H,1-4H3/b11-7+,12-8+ | 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 | >1.00E+5 | 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 | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50021473
(CHEMBL3289939)Show SMILES CN(C)c1ccc(\C=C\C(=O)\C=C\c2ccc(cc2[N+]([O-])=O)N(C)C)c(c1)[N+]([O-])=O Show InChI InChI=1S/C21H22N4O5/c1-22(2)17-9-5-15(20(13-17)24(27)28)7-11-19(26)12-8-16-6-10-18(23(3)4)14-21(16)25(29)30/h5-14H,1-4H3/b11-7+,12-8+ | 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 | >1.00E+5 | 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) | BDBM50021473
(CHEMBL3289939)Show SMILES CN(C)c1ccc(\C=C\C(=O)\C=C\c2ccc(cc2[N+]([O-])=O)N(C)C)c(c1)[N+]([O-])=O Show InChI InChI=1S/C21H22N4O5/c1-22(2)17-9-5-15(20(13-17)24(27)28)7-11-19(26)12-8-16-6-10-18(23(3)4)14-21(16)25(29)30/h5-14H,1-4H3/b11-7+,12-8+ | UniProtKB/TrEMBL
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.03E+5 | 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 | |