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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'cAMP-dependent protein kinase catalytic subunit alpha' and Ligand = 'BDBM27223'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
cAMP-dependent protein kinase catalytic subunit alpha


(Mus musculus (mouse))
BDBM27223
PNG
(6-{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-di...)
Show SMILES NC(=O)CCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C16H23N7O5/c17-8(24)4-2-1-3-5-19-15(27)12-10(25)11(26)16(28-12)23-7-22-9-13(18)20-6-21-14(9)23/h6-7,10-12,16,25-26H,1-5H2,(H2,17,24)(H,19,27)(H2,18,20,21)/t10-,11+,12-,16+/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 2.60E+4n/an/an/an/an/an/a



Institute of Chemistry in Estonia



Assay Description
The IC50 values of the inhibitors corresponding to the concentration of the inhibitor decreasing the enzyme activity 50% were measured using fluoresc...


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
cAMP-dependent protein kinase catalytic subunit alpha


(Mus musculus (mouse))
BDBM27223
PNG
(6-{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-di...)
Show SMILES NC(=O)CCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C16H23N7O5/c17-8(24)4-2-1-3-5-19-15(27)12-10(25)11(26)16(28-12)23-7-22-9-13(18)20-6-21-14(9)23/h6-7,10-12,16,25-26H,1-5H2,(H2,17,24)(H,19,27)(H2,18,20,21)/t10-,11+,12-,16+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 2.18E+3n/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