BDBM50222287 6,7-dihydroxy-4'-methoxyisoflavone::CHEMBL239028::IR-2::formonetin
SMILES: COc1ccc(cc1)-c1coc2cc(O)c(O)cc2c1=O
InChI Key: InChIKey=GCWOYVFHJDNKIN-UHFFFAOYSA-N
Data: 7 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
15-Lipoxygenase-2 (15-LOX-2) (Homo sapiens (Human)) | BDBM50222287 (6,7-dihydroxy-4'-methoxyisoflavone | CHEMBL239028 ...) | PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | 7.3 | 25 |
Universidad de Santiago | Assay Description The reactions were done in a volume of 2 mL and constantly stirred using a magnetic stir bar at room temperature (23 °C). Reactions with the crude, a... | Chem Biol Drug Des 86: 114-21 (2015) Article DOI: 10.1111/cbdd.12469 BindingDB Entry DOI: 10.7270/Q2PZ57JF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Arachidonate 5-lipoxygenase (Homo sapiens (Human)) | BDBM50222287 (6,7-dihydroxy-4'-methoxyisoflavone | CHEMBL239028 ...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | 7.3 | 25 |
Universidad de Santiago | Assay Description The reactions were done in a volume of 2 mL and constantly stirred using a magnetic stir bar at room temperature (23 °C). Reactions with the crude, a... | Chem Biol Drug Des 86: 114-21 (2015) Article DOI: 10.1111/cbdd.12469 BindingDB Entry DOI: 10.7270/Q2PZ57JF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep)) | BDBM50222287 (6,7-dihydroxy-4'-methoxyisoflavone | CHEMBL239028 ...) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.50E+5 | n/a | n/a | n/a | n/a | 8.0 | n/a |
Universidad de Santiago | Assay Description Approximately 2 µg of either COX-1 or COX-2 was added to buffer containing 100 µM AA, 0.1 M Tris-HCl buffer (pH 8.0), 5 mM EDTA, 2 mM phenol, and 1 µ... | Chem Biol Drug Des 86: 114-21 (2015) Article DOI: 10.1111/cbdd.12469 BindingDB Entry DOI: 10.7270/Q2PZ57JF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
12-Lipoxygenase (12-LOX) (Homo sapiens (Human)) | BDBM50222287 (6,7-dihydroxy-4'-methoxyisoflavone | CHEMBL239028 ...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Chile Curated by ChEMBL | Assay Description Inhibition of 12-hLO | Bioorg Med Chem 15: 7408-25 (2007) Article DOI: 10.1016/j.bmc.2007.07.036 BindingDB Entry DOI: 10.7270/Q2RN37KN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
15-Lipoxygenase-2 (15-LOX-2) (Homo sapiens (Human)) | BDBM50222287 (6,7-dihydroxy-4'-methoxyisoflavone | CHEMBL239028 ...) | PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Chile Curated by ChEMBL | Assay Description Inhibition of 15-hLO2 | Bioorg Med Chem 15: 7408-25 (2007) Article DOI: 10.1016/j.bmc.2007.07.036 BindingDB Entry DOI: 10.7270/Q2RN37KN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Arachidonate 15-lipoxygenase (Homo sapiens (Human)) | BDBM50222287 (6,7-dihydroxy-4'-methoxyisoflavone | CHEMBL239028 ...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Chile Curated by ChEMBL | Assay Description Inhibition of 15-hLO1 | Bioorg Med Chem 15: 7408-25 (2007) Article DOI: 10.1016/j.bmc.2007.07.036 BindingDB Entry DOI: 10.7270/Q2RN37KN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclooxygenase (Homo sapiens (Human)) | BDBM50222287 (6,7-dihydroxy-4'-methoxyisoflavone | CHEMBL239028 ...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.50E+5 | n/a | n/a | n/a | n/a | 8.0 | n/a |
Universidad de Santiago | Assay Description Approximately 2 µg of either COX-1 or COX-2 was added to buffer containing 100 µM AA, 0.1 M Tris-HCl buffer (pH 8.0), 5 mM EDTA, 2 mM phenol, and 1 µ... | Chem Biol Drug Des 86: 114-21 (2015) Article DOI: 10.1111/cbdd.12469 BindingDB Entry DOI: 10.7270/Q2PZ57JF | |||||||||||
More data for this Ligand-Target Pair |