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BDBM199118 (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol::Adenosine

SMILES: Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1O

InChI Key: InChIKey=OIRDTQYFTABQOQ-UHFFFAOYSA-N

Data: 1 Kd  1 ITC

PDB links: 134 PDB IDs match this monomer.

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 = 199118   
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
3-Phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM199118
PNG
((2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymeth...)
Show SMILES Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1O
Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)
PDB

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PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/a 2.00E+4n/an/an/a7.4n/a



Universitätsklinikum Frankfurt



Assay Description
Titrations were performed by a 0.4 µl injection followed by 19 successive injections (2 µl) of each compound(adenosine 500 µM, PS653 250 µM) into a 2...


Cell Chem Biol 23: 1193-1205 (2016)


Article DOI: 10.1016/j.chembiol.2016.06.017
BindingDB Entry DOI: 10.7270/Q23N226C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 199118
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
3-phosphoinositide dependent protein kinase-1

(Homo sapiens (Human))
BDBM199118
JPEG
((2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymeth...)
GoogleScholar
PDB
PC cid
PC sid
PDB
-6.40-3.19-3.104.70n/a24.9



Universitätsklinikum Frankfurt





Cell Chem Biol 23: 1193-1205 (2016)