BDBM50139862 3-(4-Hydroxy-phenyl)-chroman-6,7-diol::4',6,7-trihydroxyisoflavan::CHEMBL8328::HIR-1
SMILES: Oc1ccc(cc1)C1COc2cc(O)c(O)cc2C1
InChI Key: InChIKey=NLIIKGCVOJPMQB-UHFFFAOYSA-N
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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15-Lipoxygenase-2 (15-LOX-2) (Homo sapiens (Human)) | BDBM50139862 (3-(4-Hydroxy-phenyl)-chroman-6,7-diol | 4',6,7-tri...) | PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 7.10E+4 | 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)) | BDBM50139862 (3-(4-Hydroxy-phenyl)-chroman-6,7-diol | 4',6,7-tri...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 300 | 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 | |||||||||||||
Estrogen receptor beta (Ovis aries) | BDBM50139862 (3-(4-Hydroxy-phenyl)-chroman-6,7-diol | 4',6,7-tri...) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Amsterdam Curated by ChEMBL | Assay Description Displacement of [3H]-estradiol (E2) from sheep uterine estrogen receptor | J Med Chem 47: 1018-30 (2004) Article DOI: 10.1021/jm0309607 BindingDB Entry DOI: 10.7270/Q2VM4G1B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
12-Lipoxygenase (12-LOX) (Homo sapiens (Human)) | BDBM50139862 (3-(4-Hydroxy-phenyl)-chroman-6,7-diol | 4',6,7-tri...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.70E+4 | 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 | |||||||||||||
Arachidonate 15-lipoxygenase (Homo sapiens (Human)) | BDBM50139862 (3-(4-Hydroxy-phenyl)-chroman-6,7-diol | 4',6,7-tri...) | PDB 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 | 510 | 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 | |||||||||||||
15-Lipoxygenase-2 (15-LOX-2) (Homo sapiens (Human)) | BDBM50139862 (3-(4-Hydroxy-phenyl)-chroman-6,7-diol | 4',6,7-tri...) | PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 7.10E+4 | 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 |