BDBM21035 (2R,3S,6E,15S,17R)-6-{[bis(prop-2-en-1-yl)amino]methylidene}-8-hydroxy-3-(methoxymethyl)-2,15-dimethyl-5,9,14-trioxo-4-oxatetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1(10),7-dien-17-yl acetate::PX-866::Ring-opened wortmannin analogue, 4

SMILES COC[C@H]1OC(=O)C(=CN(CC=C)CC=C)C2C(=O)C(=O)C3=C([C@@H](C[C@@]4(C)C3CCC4=O)OC(C)=O)[C@@]12C

InChI Key InChIKey=FXLQTCWYUQYUQR-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 21035   

LigandPNGBDBM21035(PX-866 | (2R,3S,6E,15S,17R)-6-{[bis(prop-2-en-1-yl...)
Affinity DataIC50: 88nMpH: 7.5 T: 2°CAssay Description:Inhibition of PI3K enzyme activity is measured in a microtiter plate-based fluorescence polarization (FP) assay. More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2008
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase mTOR(Human)
Wyeth Research

LigandPNGBDBM21035(PX-866 | (2R,3S,6E,15S,17R)-6-{[bis(prop-2-en-1-yl...)
Affinity DataIC50: 3.10E+3nMpH: 7.4 T: 2°CAssay Description:The enzyme was assayed in DELFIA format using purified FLAG-TOR in kinase buffer containing ATP and His6-S6K in the presence of inhibitor compounds. ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2008
Entry Details Article
PubMed