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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-KQYNXXCUSA-N

Data: 1 IC50  15 ITC

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 10851   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
cyclic AMP receptor protein


(Vibrio cholerae O1 biovar El Tor str. N16961)
BDBM10851
PNG
((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihy...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2COP(O)(=O)O[C@H]2[C@H]1O
Show InChI InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.30E+5n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 15 hits for monomerid = 10851
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
Heat Shock Protein 90 (Hsp90)

(Saccharomyces cerevisiae (Baker s yeast))
BDBM10851
JPEG
((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihy...)
GoogleScholar
PDB
CHEBI
KEGG
PC cid
PC sid
-5.615.80-11.44.34810



University College London





J Mol Biol 392: 923-36 (2009)

Heat Shock Protein 90 (Hsp90)

(Saccharomyces cerevisiae (Baker s yeast))
BDBM10851
JPEG
((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihy...)
GoogleScholar
PDB
CHEBI
KEGG
PC cid
PC sid
-5.406.07-11.54.08815



University College London





J Mol Biol 392: 923-36 (2009)

Heat Shock Protein 90 (Hsp90)

(Saccharomyces cerevisiae (Baker s yeast))
BDBM10851
JPEG
((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihy...)
GoogleScholar
PDB
CHEBI
KEGG
PC cid
PC sid
-5.094.97-10.13.70825



University College London





J Mol Biol 392: 923-36 (2009)

cAMP-activated global transcriptional regulator CRP

(Escherichia coli)
BDBM10851
JPEG
((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihy...)
GoogleScholar
PDB
CHEBI
KEGG
PC cid
PC sid
-6.59-14.88.194.917.8025



Durham University





PLoS Biol 11: (2013)

cAMP-activated global transcriptional regulator CRP

(Escherichia coli)
BDBM10851
JPEG
((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihy...)
GoogleScholar
PDB
CHEBI
KEGG
PC cid
PC sid
-7.00-3.92-2.705.267.8025



Durham University





PLoS Biol 11: (2013)

cAMP-activated global transcriptional regulator CRP

(Escherichia coli)
BDBM10851
JPEG
((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihy...)
GoogleScholar
PDB
CHEBI
KEGG
PC cid
PC sid
-6.90-4.91-2.015.087.8025



Durham University





PLoS Biol 11: (2013)

cAMP-activated global transcriptional regulator CRP

(Escherichia coli)
BDBM10851
JPEG
((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihy...)
GoogleScholar
PDB
CHEBI
KEGG
PC cid
PC sid
-6.09-6.980.6934.567.8025



Durham University





PLoS Biol 11: (2013)

cAMP-activated global transcriptional regulator CRP

(Escherichia coli)
BDBM10851
JPEG
((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihy...)
GoogleScholar
PDB
CHEBI
KEGG
PC cid
PC sid
-7.28-5.48-1.895.437.8025



Durham University





PLoS Biol 11: (2013)

cAMP-activated global transcriptional regulator CRP

(Escherichia coli)
BDBM10851
JPEG
((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihy...)
GoogleScholar
PDB
CHEBI
KEGG
PC cid
PC sid
-7.69-13.76.095.617.8025



Durham University





PLoS Biol 11: (2013)

cAMP-activated global transcriptional regulator CRP

(Escherichia coli)
BDBM10851
JPEG
((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihy...)
GoogleScholar
PDB
CHEBI
KEGG
PC cid
PC sid
-6.81-3.92-2.894.917.8025



Durham University





PLoS Biol 11: (2013)

cAMP-activated global transcriptional regulator CRP

(Escherichia coli)
BDBM10851
JPEG
((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihy...)
GoogleScholar
PDB
CHEBI
KEGG
PC cid
PC sid
-6.59-16.49.794.917.8025



Durham University





PLoS Biol 11: (2013)

cAMP-activated global transcriptional regulator CRP

(Escherichia coli)
BDBM10851
JPEG
((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihy...)
GoogleScholar
PDB
CHEBI
KEGG
PC cid
PC sid
-6.81-2.28-4.594.917.8025



Durham University





PLoS Biol 11: (2013)

cAMP-activated global transcriptional regulator CRP

(Escherichia coli)
BDBM10851
JPEG
((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihy...)
GoogleScholar
PDB
CHEBI
KEGG
PC cid
PC sid
-7.19-19.912.35.267.8025



Durham University





PLoS Biol 11: (2013)

cAMP-activated global transcriptional regulator CRP

(Escherichia coli)
BDBM10851
JPEG
((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihy...)
GoogleScholar
PDB
CHEBI
KEGG
PC cid
PC sid
-7.19-4.98-2.205.267.8025



Durham University





PLoS Biol 11: (2013)

cAMP-activated global transcriptional regulator CRP

(Escherichia coli)
BDBM10851
JPEG
((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihy...)
GoogleScholar
PDB
CHEBI
KEGG
PC cid
PC sid
-6.90-14.17.195.087.8025



Durham University





PLoS Biol 11: (2013)