BDBM82125 (2R,3R,4S,5R)-2-(6-Amino-8-methylaminopurin-9-yl)-5- benzyloxymethyltetrahydrofuran-3,4-diol::adenosine-derived inhibitor (Grp78), 4

SMILES CNc1nc2c(N)ncnc2n1[C@@H]1O[C@H](COCc2ccccc2)[C@@H](O)[C@H]1O

InChI Key InChIKey=XHQBSWATMHEIGW-UHFFFAOYSA-N

Data  1 KI  1 Kd  1 Koff

  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 = 82125   

TargetEndoplasmic reticulum chaperone BiP(Human)
Vernalis (R&D)

LigandPNGBDBM82125((2R,3R,4S,5R)-2-(6-Amino-8-methylaminopurin-9-yl)-...)
Affinity DataKd:  990nM Kon: >1M-1s-1pH: 7.4 T: 2°CAssay Description:SPR measurements wereperformed on BIAcore T100 instrument (BIAcore GE Healthcare), at25 C on series S NTA chips (certified) according to provider'...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/8/2011
Entry Details Article
PubMed
TargetHeat shock 70 kDa protein 1A(Human)
Vernalis (R&D)

LigandPNGBDBM82125((2R,3R,4S,5R)-2-(6-Amino-8-methylaminopurin-9-yl)-...)
Affinity DataKi:  1.10E+3nM ΔG°:  -8.12kcal/molepH: 7.4 T: 2°CAssay Description:The assay was based on the fluorescence polarization of the unbound small binding partner will be low, and its binding to a larger binding partner wi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/8/2011
Entry Details Article
PubMed