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

SMILES COc1cc(cc(c1OC)OC)C[C@@H]2[C@H](COC2=O)Cc3ccc4c(c3)OCO4

InChI Key InChIKey=GMLDZDDTZKXJLU-UHFFFAOYSA-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(Human)
Toyama Medical and Pharmaceutical University

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 Depth
Date in BDB:
12/16/2012
Entry Details Article
PubMed
TargetCytochrome P450 2D6(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 Depth
Date in BDB:
12/16/2012
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Toyama Medical and Pharmaceutical University

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 Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed