BDBM50338980 CHEMBL1685073::neocalycopteron-4-methylether

SMILES CO[C@H]1C[C@@H](Oc2c(OC)c(OC)c3c(O[C@]45O[C@H](CC=C4C(=O)C(OC)=C(OC)[C@]35OC)c3ccccc3)c12)c1ccccc1

InChI Key InChIKey=AOIFTQSYQCTSIR-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 50338980   

LigandPNGBDBM50338980(neocalycopteron-4-methylether | CHEMBL1685073)
Affinity DataIC50: 4.70E+4nMAssay Description:Inhibition of BCRP expressed in MCF-7 MX cells using Hoechst 33342 stainingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2011
Entry Details Article
PubMed
LigandPNGBDBM50338980(neocalycopteron-4-methylether | CHEMBL1685073)
Affinity DataIC50: 1.60E+4nMAssay Description:Inhibition of BCRP expressed in MDCK cells using Hoechst 33342 stainingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2011
Entry Details Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50338980(neocalycopteron-4-methylether | CHEMBL1685073)
Affinity DataIC50: 1.40E+3nMAssay Description:Inhibition of MDR1 expressed in MDCK cells using rhodamine 123 staining by flow cytometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2011
Entry Details Article
PubMed