BDBM50088446 CHEBI:207229::CHEMBL25164

SMILES [H][C@@]12CC[C@@H](C)[C@]3([H])CC[C@@]4(C)OO[C@@]13[C@]([H])(OC(O)[C@@H]2C)O4

InChI Key InChIKey=BJDCWCLMFKKGEE-UHFFFAOYSA-N

Data  4 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 = 50088446   

TargetCytochrome P450 3A4(Human)
University of Washington

Curated by ChEMBL
LigandPNGBDBM50088446(CHEBI:207229 | CHEMBL25164)
Affinity DataIC50: 1.25E+5nMAssay Description:Inhibition of recombinant CYP3A4 (unknown origin) incubated for 3 mins prior to NADPH addition measured after 3 mins by LC-MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/8/2016
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
University of Washington

Curated by ChEMBL
LigandPNGBDBM50088446(CHEBI:207229 | CHEMBL25164)
Affinity DataIC50: 1.25E+5nMAssay Description:Inhibition of CYP3A4 in human liver microsomes incubated for 3 mins prior to NADPH addition measured after 3 mins by LC-MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/8/2016
Entry Details Article
PubMed
TargetCytochrome P450 2B6(Human)
University of Washington

Curated by ChEMBL
LigandPNGBDBM50088446(CHEBI:207229 | CHEMBL25164)
Affinity DataIC50: 1.25E+5nMAssay Description:Inhibition of recombinant CYP2B6 (unknown origin) incubated for 3 mins prior to NADPH addition measured after 10 mins by LC-MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/8/2016
Entry Details Article
PubMed
TargetCytochrome P450 2B6(Human)
University of Washington

Curated by ChEMBL
LigandPNGBDBM50088446(CHEBI:207229 | CHEMBL25164)
Affinity DataIC50: 1.25E+5nMAssay Description:Inhibition of CYP2B6 in human liver microsomes incubated for 3 mins prior to NADPH addition measured after 10 mins by LC-MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/8/2016
Entry Details Article
PubMed