BDBM50241524 (-)-deoxypodorhizone::(-)-yatein::CHEMBL471067

SMILES COc1cc(C[C@@H]2[C@@H](Cc3ccc4OCOc4c3)COC2=O)cc(OC)c1OC

InChI Key InChIKey=GMLDZDDTZKXJLU-JKSUJKDBSA-N

Data  1 KI  2 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50241524   

TargetCytochrome P450 3A4(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50241524((-)-deoxypodorhizone | (-)-yatein | CHEMBL471067)
Affinity DataKi:  177nMAssay Description:Mechanism based inhibition of human cytochrome P450 3A4 measured by (14C)formaldehyde production from (N-methyl-14C)-erythromycinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Toyama Medical And Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50241524((-)-deoxypodorhizone | (-)-yatein | CHEMBL471067)
Affinity DataIC50:  9.57E+4nMAssay Description:Inhibition of human liver microsome CYP2D6 in assessed as [14C]formaldehyde formationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50241524((-)-deoxypodorhizone | (-)-yatein | CHEMBL471067)
Affinity DataIC50:  1.00E+3nMAssay Description:Inhibition of human liver microsome CYP3A4 in assessed as [14C]formaldehyde formationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed