BDBM32381 adenosine-derived inhibitor (Grp78), 14::adenosine-derived inhibitor, 15

SMILES Nc1ncnc2n([C@@H]3O[C@H](COCc4ccc(cc4)C#N)[C@@H](O)[C@H]3O)c(NCc3ccc4ncccc4c3)nc12

InChI Key InChIKey=DKJUQSPQYGQPBH-VBHAUSMQSA-N

Data  1 KI  1 IC50  3 Kd  1 Koff  1 ITC

PDB links: 1 PDB ID matches this monomer.

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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 32381   

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

LigandPNGBDBM32381(adenosine-derived inhibitor (Grp78), 14 | adenosin...)
Affinity DataKi:  310nM ΔG°:  -8.87kcal/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
TargetHeat shock 70 kDa protein 1A(Homo sapiens (Human))
Vernalis (R&D)

LigandPNGBDBM32381(adenosine-derived inhibitor (Grp78), 14 | adenosin...)
Affinity DataKd:  50nMpH: 7.4 T: 2°CAssay Description:All experiments were performed on a Biacore T100 at 25 deg C with a flow rate of 30 uL per minute. Double His-tagged HSP70 was immobilised on the sur...More data for this Ligand-Target Pair
TargetHeat shock 70 kDa protein 1A(Homo sapiens (Human))
Vernalis (R&D)

LigandPNGBDBM32381(adenosine-derived inhibitor (Grp78), 14 | adenosin...)
Affinity DataKd:  50nMpH: 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
TargetHeat shock 70 kDa protein 1A(Homo sapiens (Human))
Vernalis (R&D)

LigandPNGBDBM32381(adenosine-derived inhibitor (Grp78), 14 | adenosin...)
Affinity DataIC50:  900nMpH: 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
TargetEndoplasmic reticulum chaperone BiP(Homo sapiens (Human))
Vernalis (R&D)

LigandPNGBDBM32381(adenosine-derived inhibitor (Grp78), 14 | adenosin...)
Affinity DataKd:  60nM Kon:  0.0400M-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

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 32381   

CellGrp78(Homo sapiens (Human))
Vernalis (R&D)

SyringePNGBDBM32381(adenosine-derived inhibitor (Grp78), 14 | adenosin...)
ITC Data−TΔS°: 7.98kcal/mole ΔH°: -17.5kcal/mole logk: 100
pH: 7.4 T: 25.00°C 
In DepthDetails ArticlePubMed