BDBM50273795 CHEMBL510405::bis((1-(((2R,3S,4R,5S,6S)-3,4,5-tris(benzoyloxy)-6-(3,6-dioxocyclohexa-1,4-dienyl)-tetrahydro-2H-pyran-2-yl)methyl)-1H-1,2,3-triazol-4-yl)methyl) isophthalate

SMILES O=C(OCc1cn(C[C@H]2O[C@H]([C@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)C2=CC(=O)C=CC2=O)nn1)c1cccc(c1)C(=O)OCc1cn(C[C@H]2O[C@H]([C@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)C2=CC(=O)C=CC2=O)nn1

InChI Key InChIKey=IKMWLSQXQUAMAX-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 50273795   

LigandPNGBDBM50273795(bis((1-(((2R,3S,4R,5S,6S)-3,4,5-tris(benzoyloxy)-6...)
Affinity DataIC50: 720nMAssay Description:Inhibition of human recombinant PTP1B catalytic domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed