BDBM50025321 2-(3,4-Dihydroxy-phenyl)-5-hydroxy-6,7-dimethoxy-chromen-4-one::2-(3,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxy-4H-chromen-4-one::5,3',4'-Trihydroxy-6,7-dimethoxyflavone::CHEMBL72637::Cirsiliol

SMILES COc1cc2oc(cc(=O)c2c(O)c1OC)-c1ccc(O)c(O)c1

InChI Key InChIKey=IMEYGBIXGJLUIS-UHFFFAOYSA-N

Data  2 KI  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50025321   

TargetCytochrome P450 1A1(Homo sapiens (Human))
University Of Crete

Curated by ChEMBL
LigandPNGBDBM50025321(2-(3,4-Dihydroxy-phenyl)-5-hydroxy-6,7-dimethoxy-c...)
Affinity DataKi: >800nMAssay Description:Inhibition of CYP1A1 EROD activity assessed as inhibition of deethylation of 7-ethoxyresorufin to resorufinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1B1(Homo sapiens (Human))
University Of Crete

Curated by ChEMBL
LigandPNGBDBM50025321(2-(3,4-Dihydroxy-phenyl)-5-hydroxy-6,7-dimethoxy-c...)
Affinity DataKi: >800nMAssay Description:Inhibition of CYP1B1 EROD activity assessed as inhibition of deethylation of 7-ethoxyresorufin to resorufinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldo-keto reductase family 1 member B1(Rattus norvegicus)
Inifta (Unlp, Cct La Plata-Conicet)

Curated by ChEMBL
LigandPNGBDBM50025321(2-(3,4-Dihydroxy-phenyl)-5-hydroxy-6,7-dimethoxy-c...)
Affinity DataIC50:  170nMAssay Description:Inhibition of rat lens aldose reductaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolyunsaturated fatty acid 5-lipoxygenase(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50025321(2-(3,4-Dihydroxy-phenyl)-5-hydroxy-6,7-dimethoxy-c...)
Affinity DataIC50:  95nMAssay Description:Ability to inhibit 5-lipoxygenase in rat basophilic leukemia cells.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed