BDBM32377 adenosine-derived inhibitor (Grp78), 12::adenosine-derived inhibitor, 11

SMILES Nc1ncnc2n([C@@H]3O[C@H](COCc4ccccc4)[C@@H](O)[C@H]3O)c(NCc3ccc(Cl)c(Cl)c3)nc12

InChI Key InChIKey=PTHFXORLUDDFQZ-ZDXOVATRSA-N

Data  1 KI  1 IC50  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 3 hits for monomerid = 32377   

TargetHeat shock 70 kDa protein 1A(Homo sapiens (Human))
Vernalis (R&D)

LigandPNGBDBM32377(adenosine-derived inhibitor (Grp78), 12 | adenosin...)
Affinity DataKi:  1.05E+3nM ΔG°:  -8.15kcal/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 DepthDetails ArticlePubMed
TargetHeat shock 70 kDa protein 1A(Homo sapiens (Human))
Vernalis (R&D)

LigandPNGBDBM32377(adenosine-derived inhibitor (Grp78), 12 | adenosin...)
Affinity DataIC50:  2.40E+3nMpH: 7.4 T: 2°CAssay Description:A fluorescein-labeled ATP-based probe was utilized, which binds to the GST fused ATPase domain (amino acids 3-383) of HSP70, producing an increase in...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEndoplasmic reticulum chaperone BiP(Homo sapiens (Human))
Vernalis (R&D)

LigandPNGBDBM32377(adenosine-derived inhibitor (Grp78), 12 | adenosin...)
Affinity DataKd:  770nM Kon:  0.300M-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 DepthDetails ArticlePubMed