BDBM10851 (4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihydroxy-hexahydro-1,3,5,2-furo[3,2-d][1,3,2]dioxaphosphinin-2-one::(4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide::ADENOSINE-3 ,5 -CYCLIC-MONOPHOSPHATE::Cyclic adenosine monophosphate::cAMP::cid_23902375

SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2COP(O)(=O)O[C@H]2[C@H]1O

InChI Key InChIKey=IVOMOUWHDPKRLL-UHFFFAOYSA-N

Data  1 IC50  15 ITC

  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 1 hit for monomerid = 10851   

TargetCyclic AMP receptor protein(Vibrio cholerae serotype O1 (strain ATCC 39315 / E...)
Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM10851((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)tetrahydr...)
Affinity DataIC50: 1.30E+5nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2013
Entry Details
PCBioAssay

Activity Spreadsheet -- ITC Data from BindingDB

Found 15 hits for monomerid = 10851   

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

SyringePNGBDBM10851((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)tetrahydr...)
ITC DataΔG°: -5.61kcal/mole −TΔS°: 5.80kcal/mole ΔH°: -11.4kcal/mole logk: 2.20E+4
pH: 8.0 T: 10.00°C 
CellHeat Shock Protein 90 (Hsp90)(Baker's yeast)
University College London

SyringePNGBDBM10851((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)tetrahydr...)
ITC DataΔG°: -5.40kcal/mole −TΔS°: 6.07kcal/mole ΔH°: -11.5kcal/mole logk: 1.20E+4
pH: 8.0 T: 15.00°C 
CellHeat Shock Protein 90 (Hsp90)(Baker's yeast)
University College London

SyringePNGBDBM10851((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)tetrahydr...)
ITC DataΔG°: -5.09kcal/mole −TΔS°: 4.97kcal/mole ΔH°: -10.1kcal/mole logk: 5.00E+3
pH: 8.0 T: 25.00°C 
CellcAMP-activated global transcriptional regulator CRP(Escherichia coli)
Durham University

SyringePNGBDBM10851((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)tetrahydr...)
ITC DataΔG°: -6.90kcal/mole −TΔS°: -4.91kcal/mole ΔH°: -2.01kcal/mole logk: 1.20E+5
pH: 7.8 T: 25.00°C 
CellcAMP-activated global transcriptional regulator CRP(Escherichia coli)
Durham University

SyringePNGBDBM10851((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)tetrahydr...)
ITC DataΔG°: -6.59kcal/mole −TΔS°: -14.8kcal/mole ΔH°: 8.19kcal/mole logk: 8.05E+4
pH: 7.8 T: 25.00°C 
CellcAMP-activated global transcriptional regulator CRP(Escherichia coli)
Durham University

SyringePNGBDBM10851((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)tetrahydr...)
ITC DataΔG°: -7.00kcal/mole −TΔS°: -3.92kcal/mole ΔH°: -2.70kcal/mole logk: 1.80E+5
pH: 7.8 T: 25.00°C 
CellcAMP-activated global transcriptional regulator CRP(Escherichia coli)
Durham University

SyringePNGBDBM10851((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)tetrahydr...)
ITC DataΔG°: -6.09kcal/mole −TΔS°: -6.98kcal/mole ΔH°: 0.693kcal/mole logk: 3.59E+4
pH: 7.8 T: 25.00°C 
CellcAMP-activated global transcriptional regulator CRP(Escherichia coli)
Durham University

SyringePNGBDBM10851((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)tetrahydr...)
ITC DataΔG°: -7.28kcal/mole −TΔS°: -5.48kcal/mole ΔH°: -1.89kcal/mole logk: 2.70E+5
pH: 7.8 T: 25.00°C 
CellcAMP-activated global transcriptional regulator CRP(Escherichia coli)
Durham University

SyringePNGBDBM10851((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)tetrahydr...)
ITC DataΔG°: -7.69kcal/mole −TΔS°: -13.7kcal/mole ΔH°: 6.09kcal/mole logk: 4.04E+5
pH: 7.8 T: 25.00°C 
CellcAMP-activated global transcriptional regulator CRP(Escherichia coli)
Durham University

SyringePNGBDBM10851((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)tetrahydr...)
ITC DataΔG°: -6.81kcal/mole −TΔS°: -3.92kcal/mole ΔH°: -2.89kcal/mole logk: 8.05E+4
pH: 7.8 T: 25.00°C 
CellcAMP-activated global transcriptional regulator CRP(Escherichia coli)
Durham University

SyringePNGBDBM10851((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)tetrahydr...)
ITC DataΔG°: -6.59kcal/mole −TΔS°: -16.4kcal/mole ΔH°: 9.79kcal/mole logk: 8.05E+4
pH: 7.8 T: 25.00°C 
CellcAMP-activated global transcriptional regulator CRP(Escherichia coli)
Durham University

SyringePNGBDBM10851((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)tetrahydr...)
ITC DataΔG°: -6.81kcal/mole −TΔS°: -2.28kcal/mole ΔH°: -4.59kcal/mole logk: 8.05E+4
pH: 7.8 T: 25.00°C 
CellcAMP-activated global transcriptional regulator CRP(Escherichia coli)
Durham University

SyringePNGBDBM10851((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)tetrahydr...)
ITC DataΔG°: -7.19kcal/mole −TΔS°: -19.9kcal/mole ΔH°: 12.3kcal/mole logk: 1.80E+5
pH: 7.8 T: 25.00°C 
CellcAMP-activated global transcriptional regulator CRP(Escherichia coli)
Durham University

SyringePNGBDBM10851((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)tetrahydr...)
ITC DataΔG°: -7.19kcal/mole −TΔS°: -4.98kcal/mole ΔH°: -2.20kcal/mole logk: 1.80E+5
pH: 7.8 T: 25.00°C 
CellcAMP-activated global transcriptional regulator CRP(Escherichia coli)
Durham University

SyringePNGBDBM10851((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)tetrahydr...)
ITC DataΔG°: -6.90kcal/mole −TΔS°: -14.1kcal/mole ΔH°: 7.19kcal/mole logk: 1.20E+5
pH: 7.8 T: 25.00°C