BDBM32370 adenosine-derived inhibitor (Grp78), 2::adenosine-derived inhibitor, 4

SMILES Nc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

InChI Key InChIKey=DVGWFQILDUEEGX-UUOKFMHZSA-N

Data  3 KI  1 IC50  5 Kd  1 Koff  1 ITC

PDB links: 3 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 32370   

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

LigandPNGBDBM32370(adenosine-derived inhibitor (Grp78), 2 | adenosine...)
Affinity DataKi:  4.46E+3nM ΔG°:  -7.29kcal/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)

LigandPNGBDBM32370(adenosine-derived inhibitor (Grp78), 2 | adenosine...)
Affinity DataKd:  6.80E+3nM 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
TargetHeat shock 70 kDa protein 1A(Homo sapiens (Human))
Vernalis (R&D)

LigandPNGBDBM32370(adenosine-derived inhibitor (Grp78), 2 | adenosine...)
Affinity DataKd:  1.10E+4nMpH: 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

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 32370   

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

SyringePNGBDBM32370(adenosine-derived inhibitor (Grp78), 2 | adenosine...)
ITC Data−TΔS°: -1.57kcal/mole ΔH°: -13.2kcal/mole logk: 1.41E+4
pH: 7.4 T: 25.00°C