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BDBM27237 6-{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]formamido}-N-(2-hydroxyethyl)hexanamide::ARC-1011, 11

SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCCCCC(=O)NCCO

InChI Key: InChIKey=JCUBSVDGMFKUET-MOROJQBDSA-N

Data: 1 Kd

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 27237   
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
cAMP-Dependent Protein Kinase (PKA)


(Mus musculus (mouse))
BDBM27237
PNG
(6-{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-di...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCCCCC(=O)NCCO |r|
Show InChI InChI=1S/C18H27N7O6/c19-15-11-16(23-8-22-15)25(9-24-11)18-13(29)12(28)14(31-18)17(30)21-5-3-1-2-4-10(27)20-6-7-26/h8-9,12-14,18,26,28-29H,1-7H2,(H,20,27)(H,21,30)(H2,19,22,23)/t12-,13+,14-,18+/m0/s1
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MMDB

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Similars

Article
PubMed
n/an/an/a 1.87E+4n/an/an/a7.530



Institute of Chemistry in Estonia



Assay Description
The assay is based on the kinase-bound labeled fluorescent probe can be displaced by competitive inhibitors, which can be registered by measurement o...


J Med Chem 52: 308-21 (2009)


Article DOI: 10.1021/jm800797n
BindingDB Entry DOI: 10.7270/Q2RX99FQ
More data for this
Ligand-Target Pair