BDBM50021473 CHEMBL3289939
SMILES: CN(C)c1ccc(\C=C\C(=O)\C=C\c2ccc(cc2[N+]([O-])=O)N(C)C)c(c1)[N+]([O-])=O
InChI Key: InChIKey=HZCDCDUVTDZUPK-MKICQXMISA-N
Data: 5 IC50
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
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Acetylcholinesterase (Homo sapiens (Human)) | BDBM50021473 (CHEMBL3289939) | 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 | |||||||||||||
Cholinesterases (Homo sapiens (Human)) | BDBM50021473 (CHEMBL3289939) | 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) | 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 | |||||||||||||
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep)) | BDBM50021473 (CHEMBL3289939) | 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 | |||||||||||||
Cyclooxygenase (Homo sapiens (Human)) | BDBM50021473 (CHEMBL3289939) | 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 |