BDBM31995 ADP::Adenosine Diphosphate (ADP)::CHEMBL14830

SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O

InChI Key InChIKey=XTWYTFMLZFPYCI-KQYNXXCUSA-N

Data  3 KI  1 IC50  3 Kd  3 EC50  4 ITC

PDB links: 10 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 31995   

TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM31995(ADP | Adenosine Diphosphate (ADP) | CHEMBL14830)
Affinity DataEC50:  1.20E+5nMAssay Description:Displacement of cy3B-GM from Hsp90alphaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetP2Y purinoceptor 1(Homo sapiens (Human))
Bar-Ilan University

Curated by ChEMBL
LigandPNGBDBM31995(ADP | Adenosine Diphosphate (ADP) | CHEMBL14830)
Affinity DataEC50:  14nMAssay Description:Agonist activity at G-protein coupled P2Y1 receptor expressed in human 1321N1 cells assessed as increase in calcium by Fura2 assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHPr kinase/phosphorylase(Bacillus subtilis)
University Of Strasburg

Curated by ChEMBL
LigandPNGBDBM31995(ADP | Adenosine Diphosphate (ADP) | CHEMBL14830)
Affinity DataEC50:  4.30E+6nMAssay Description:Inhibition of histidine containing protein in kinase assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 4 hits for monomerid = 31995   

CellHeat Shock Protein 90 (Hsp90)(Saccharomyces cerevisiae (Baker s yeast))
University College London

SyringePNGBDBM31995(ADP | Adenosine Diphosphate (ADP) | CHEMBL14830)
ITC DataΔG°: -6.45kcal/mole −TΔS°: 10.9kcal/mole ΔH°: -17.3kcal/mole logk: 8.90E+4
pH: 8.0 T: 10.00°C 
CellHeat Shock Protein 90 (Hsp90)(Saccharomyces cerevisiae (Baker s yeast))
University College London

SyringePNGBDBM31995(ADP | Adenosine Diphosphate (ADP) | CHEMBL14830)
ITC DataΔG°: -6.52kcal/mole −TΔS°: 11.4kcal/mole ΔH°: -18.0kcal/mole logk: 9.00E+4
pH: 8.0 T: 15.00°C 
CellHeat Shock Protein 90 (Hsp90)(Saccharomyces cerevisiae (Baker s yeast))
University College London

SyringePNGBDBM31995(ADP | Adenosine Diphosphate (ADP) | CHEMBL14830)
ITC DataΔG°: -6.47kcal/mole −TΔS°: 11.0kcal/mole ΔH°: -17.5kcal/mole logk: 7.90E+4
pH: 8.0 T: 16.00°C 
CellHeat Shock Protein 90 (Hsp90)(Saccharomyces cerevisiae (Baker s yeast))
University College London

SyringePNGBDBM31995(ADP | Adenosine Diphosphate (ADP) | CHEMBL14830)
ITC DataΔG°: -6.26kcal/mole −TΔS°: 10.8kcal/mole ΔH°: -17.1kcal/mole logk: 4.70E+4
pH: 8.0 T: 20.00°C