BDBM32373 adenosine-derived inhibitor (Grp78), 8::adenosine-derived inhibitor, 7

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

InChI Key InChIKey=VBJKVZXRYLCYGQ-XNIJJKJLSA-N

Data  1 KI  1 IC50  3 Kd  1 Koff  1 ITC

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 32373   

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

LigandPNGBDBM32373(adenosine-derived inhibitor (Grp78), 8 | adenosine...)
Affinity DataIC50:  9.10E+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

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 32373   

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

SyringePNGBDBM32373(adenosine-derived inhibitor (Grp78), 8 | adenosine...)
ITC Data−TΔS°: 4.06kcal/mole ΔH°: -12.4kcal/mole logk: 870
pH: 7.4 T: 25.00°C 
In DepthDetails ArticlePubMed