BDBM50275946 (5R,14S,19S,28R)-10,23-dimethoxy-4,4,29,29-tetramethyl-3,7,26,30-tetraoxaheptacyclo[16.12.0.0^{2,15}.0^{5,14}.0^{8,13}.0^{19,28}.0^{20,25}]triaconta-1(18),2(15),8(13),9,11,20(25),21,23-octaene-16,17-dione::CHEMBL446858

SMILES COc1ccc2[C@@H]3[C@H](COc2c1)C(C)(C)OC1=C3C(=O)C(=O)C2=C1OC(C)(C)[C@H]1COc3cc(OC)ccc3[C@@H]21

InChI Key InChIKey=GHBOEFUAGSHXPO-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 = 50275946   

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

Curated by ChEMBL
LigandPNGBDBM50275946((5R,14S,19S,28R)-10,23-dimethoxy-4,4,29,29-tetrame...)
Affinity DataKi:  1.04E+3nMAssay 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