BDBM106776 3‐(3‐chlorophenyl)‐6,7‐dihydroxy‐4H‐chromen‐4‐one::6,7-Dihydroxy-3′-chloro-isoflavone (1c)::IR-8
SMILES: Oc1cc2occ(-c3cccc(Cl)c3)c(=O)c2cc1O
InChI Key: InChIKey=SXXHDZJXVFGBFC-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
12-Lipoxygenase (12-LOX) (Homo sapiens (Human)) | BDBM106776 (3‐(3‐chlorophenyl)‐6,7‐dih...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 280 | n/a | n/a | n/a | n/a | 8.0 | 23 |
Universidad de Santiago de Chile | Assay Description All reactions were carried in a volume of 2 mL stirred at 23°C with approximately 2.040 Units of 12-hLOX, 4.200 Units of 15-hLOX-1, and 6.600 Un... | Chem Biol Drug Des 82: 317-25 (2013) Article DOI: 10.1111/cbdd.12157 BindingDB Entry DOI: 10.7270/Q2PZ57F3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Arachidonate 15-lipoxygenase (Homo sapiens (Human)) | BDBM106776 (3‐(3‐chlorophenyl)‐6,7‐dih...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 590 | n/a | n/a | n/a | n/a | 7.5 | 23 |
Universidad de Santiago de Chile | Assay Description All reactions were carried in a volume of 2 mL stirred at 23°C with approximately 2.040 Units of 12-hLOX, 4.200 Units of 15-hLOX-1, and 6.600 Un... | Chem Biol Drug Des 82: 317-25 (2013) Article DOI: 10.1111/cbdd.12157 BindingDB Entry DOI: 10.7270/Q2PZ57F3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
15-Lipoxygenase-2 (15-LOX-2) (Homo sapiens (Human)) | BDBM106776 (3‐(3‐chlorophenyl)‐6,7‐dih...) | PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | 7.5 | 23 |
Universidad de Santiago de Chile | Assay Description All reactions were carried in a volume of 2 mL stirred at 23°C with approximately 2.040 Units of 12-hLOX, 4.200 Units of 15-hLOX-1, and 6.600 Un... | Chem Biol Drug Des 82: 317-25 (2013) Article DOI: 10.1111/cbdd.12157 BindingDB Entry DOI: 10.7270/Q2PZ57F3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclooxygenase (Homo sapiens (Human)) | BDBM106776 (3‐(3‐chlorophenyl)‐6,7‐dih...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem 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 | |||||||||||||
Arachidonate 5-lipoxygenase (Homo sapiens (Human)) | BDBM106776 (3‐(3‐chlorophenyl)‐6,7‐dih...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 390 | 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)) | BDBM106776 (3‐(3‐chlorophenyl)‐6,7‐dih...) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >5.00E+4 | 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 | |||||||||||||
15-Lipoxygenase-2 (15-LOX-2) (Homo sapiens (Human)) | BDBM106776 (3‐(3‐chlorophenyl)‐6,7‐dih...) | PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >3.00E+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 |