BDBM50065996 4-[(2S,3R)-4-(4-Hydroxy-3-methoxy-phenyl)-2,3-dimethyl-butyl]-benzene-1,2-diol::4-[4-(4-Hydroxy-3-methoxy-phenyl)-2,3-dimethyl-butyl]-benzene-1,2-diol::CHEMBL316139
SMILES: COc1cc(C[C@@H](C)[C@@H](C)Cc2ccc(O)c(O)c2)ccc1O
InChI Key: InChIKey=QKHJBWUGXMKHAK-QWHCGFSZSA-N
Data: 3 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Lipoxygenase-1 (Glycine max (soybean)) | BDBM50065996 (4-[(2S,3R)-4-(4-Hydroxy-3-methoxy-phenyl)-2,3-dime...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Inhibitory activity against soybean 1-lipoxygenase (SLO) | J Med Chem 45: 2659-61 (2002) BindingDB Entry DOI: 10.7270/Q2GT5NWN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
12-Lipoxygenase (12-LOX) (Homo sapiens (Human)) | BDBM50065996 (4-[(2S,3R)-4-(4-Hydroxy-3-methoxy-phenyl)-2,3-dime...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Inhibitory activity against human platelet 12-lipoxygenase (12-HLO) | J Med Chem 45: 2659-61 (2002) BindingDB Entry DOI: 10.7270/Q2GT5NWN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Arachidonate 15-lipoxygenase (Homo sapiens (Human)) | BDBM50065996 (4-[(2S,3R)-4-(4-Hydroxy-3-methoxy-phenyl)-2,3-dime...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Inhibitory activity against human reticulocyte 15-lipoxygenase (15-HLO) | J Med Chem 45: 2659-61 (2002) BindingDB Entry DOI: 10.7270/Q2GT5NWN | |||||||||||
More data for this Ligand-Target Pair |