BDBM50275948 (4R,13S,19R,28R)-8,23-dimethoxy-14,14,29,29-tetramethyl-11,15,27,30-tetraoxaheptacyclo[16.12.0.0^{3,16}.0^{4,13}.0^{5,10}.0^{19,28}.0^{20,25}]triaconta-1(18),3(16),5(10),6,8,20(25),21,23-octaene-2,17-dione::CHEMBL450343

SMILES COc1ccc2[C@H]3[C@@H](OCc2c1)C(C)(C)OC1=C3C(=O)C2=C([C@@H]3[C@@H](COc4cc(OC)ccc34)C(C)(C)O2)C1=O

InChI Key InChIKey=ZZIRBQNWSLYJHC-UHFFFAOYSA-N

Data  1 KI

  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 1 hit for monomerid = 50275948   

TargetATP-dependent translocase ABCB1(Human)
Instituto Universitario De Bio-OrgáNica Antonio GonzáLez

Curated by ChEMBL
LigandPNGBDBM50275948((4R,13S,19R,28R)-8,23-dimethoxy-14,14,29,29-tetram...)
Affinity DataKi:  510nMAssay Description:Inhibition of human MDR1 overexpressed in mouse NIH/3T3 cells assessed as daunorubicin accumulation by flow cytometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed