BDBM50301829 2-(3-methyl-1,2-dioxaspiro[4.5]decan-3-yl)-N-(3,4,5-trimethoxybenzyl)acetamide::CHEMBL579200

SMILES COc1cc(CNC(=O)CC2(C)CC3(CCCCC3)OO2)cc(OC)c1OC

InChI Key InChIKey=OBMNRUUTVNRXAU-UHFFFAOYSA-N

Data  5 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50301829   

TargetCytochrome P450 1A2(Human)
Institute Infectious Diseases Initiative

Curated by ChEMBL
LigandPNGBDBM50301829(2-(3-methyl-1,2-dioxaspiro[4.5]decan-3-yl)-N-(3,4,...)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of human CYP1A2More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2010
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Institute Infectious Diseases Initiative

Curated by ChEMBL
LigandPNGBDBM50301829(2-(3-methyl-1,2-dioxaspiro[4.5]decan-3-yl)-N-(3,4,...)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of human CYP2C9More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2010
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Institute Infectious Diseases Initiative

Curated by ChEMBL
LigandPNGBDBM50301829(2-(3-methyl-1,2-dioxaspiro[4.5]decan-3-yl)-N-(3,4,...)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of human CYP2C19More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2010
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Institute Infectious Diseases Initiative

Curated by ChEMBL
LigandPNGBDBM50301829(2-(3-methyl-1,2-dioxaspiro[4.5]decan-3-yl)-N-(3,4,...)
Affinity DataIC50: 1.90E+3nMAssay Description:Inhibition of human CYP3A4More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2010
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Institute Infectious Diseases Initiative

Curated by ChEMBL
LigandPNGBDBM50301829(2-(3-methyl-1,2-dioxaspiro[4.5]decan-3-yl)-N-(3,4,...)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of human CYP2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2010
Entry Details Article
PubMed