BDBM50262097 1-((5-acetoxy-11-hydroxy-4-(methoxymethyl)-4a,6a-dimethyl-2,7,10-trioxo-4,4a,6,6a,7,8,9,9a-octahydroindeno[4,5-h]isochromen-1(2H,5H,10H)-ylidene)methyl)pyrrolidine-2-carboxylic acid::1-((Z)-((4S,4aR,5R,6aS,9aR)-5-acetoxy-11-hydroxy-4-(methoxymethyl)-4a,6a-dimethyl-2,7,10-trioxo-4,4a,6,6a,7,8,9,9a-octahydroindeno[4,5-h]isochromen-1(2H,5H,10H)-ylidene)methyl)pyrrolidine-2-carboxylic acid::CHEMBL511431::WmC20-pro, 1

SMILES COC[C@H]1OC(=O)C(=CN2CCCC2C(O)=O)C2C(=O)C(=O)C3=C([C@@H](C[C@@]4(C)[C@H]3CCC4=O)OC(C)=O)[C@@]12C

InChI Key InChIKey=GFAIWNPINUPOOH-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 = 50262097   

LigandPNGBDBM50262097(WmC20-pro, 1 | CHEMBL511431 | 1-((Z)-((4S,4aR,5R,6...)
Affinity DataIC50: 68nMAssay Description:Inhibition of PI3 kinase by WmC20 derivatives causing a formation of covalent bond between WmC20 derivatives and the target protein.More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/29/2011
Entry Details Article
PubMed
LigandPNGBDBM50262097(WmC20-pro, 1 | CHEMBL511431 | 1-((Z)-((4S,4aR,5R,6...)
Affinity DataIC50: 68nMAssay Description:Inhibition of PI3 kinaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2010
Entry Details Article
PubMed
LigandPNGBDBM50262097(WmC20-pro, 1 | CHEMBL511431 | 1-((Z)-((4S,4aR,5R,6...)
Affinity DataIC50: 105nMAssay Description:Inhibition of PI3K by fluorescence energy transfer assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed