BDBM32375 adenosine-derived inhibitor (Grp78), 9::adenosine-derived inhibitor, 9

SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NCc3ccc4ncccc4c3)nc12

InChI Key InChIKey=ZPAVHMFARWZWPX-NVQRDWNXSA-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 = 32375   

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

LigandPNGBDBM32375(adenosine-derived inhibitor (Grp78), 9 | adenosine...)
Affinity DataKi:  1.29E+3nM ΔG°:  -8.03kcal/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
TargetEndoplasmic reticulum chaperone BiP(Homo sapiens (Human))
Vernalis (R&D)

LigandPNGBDBM32375(adenosine-derived inhibitor (Grp78), 9 | adenosine...)
Affinity DataKd:  230nM Kon:  0.200M-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
TargetHeat shock cognate 71 kDa protein(Homo sapiens (Human))
The Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM32375(adenosine-derived inhibitor (Grp78), 9 | adenosine...)
Affinity DataKd:  720nMAssay Description:Binding affinity to human truncated HSC70 NBD (1 to 381 residues) by SPR analysisMore data for this Ligand-Target Pair
TargetHeat shock cognate 71 kDa protein(Homo sapiens (Human))
The Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM32375(adenosine-derived inhibitor (Grp78), 9 | adenosine...)
Affinity DataKd:  724nMAssay Description:Binding affinity to human truncated HSC70 NBD (1 to 381 residues) by SPR analysisMore data for this Ligand-Target Pair
TargetHeat shock 70 kDa protein 1A(Homo sapiens (Human))
Vernalis (R&D)

LigandPNGBDBM32375(adenosine-derived inhibitor (Grp78), 9 | adenosine...)
Affinity DataIC50:  2.90E+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 = 32375   

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

SyringePNGBDBM32375(adenosine-derived inhibitor (Grp78), 9 | adenosine...)
ITC Data−TΔS°: 9.40kcal/mole ΔH°: -18.2kcal/mole logk: 350
pH: 7.4 T: 25.00°C 
In DepthDetails ArticlePubMed