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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'cAMP-Dependent Protein Kinase (PKA)' and Ligand = 'BDBM2591'   
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 (PKA)


(Bos taurus (bovine))
BDBM2591
PNG
((Arylindolyl)maleimide deriv. 13 | 3,4-bis(1-methy...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ccccc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C22H17N3O2/c1-24-11-15(13-7-3-5-9-17(13)24)19-20(22(27)23-21(19)26)16-12-25(2)18-10-6-4-8-14(16)18/h3-12H,1-2H3,(H,23,26,27)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.61E+4n/an/an/an/a8.537



Roche Products Limited



Assay Description
The activity of PKA, activated by cAMP, is measured by its ability to transfer phosphate from [gamma-32P]ATP to histone.


J Med Chem 35: 177-84 (1992)


Article DOI: 10.1016/j.bmc.2005.03.050
BindingDB Entry DOI: 10.7270/Q2K64G8V
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM2591
PNG
((Arylindolyl)maleimide deriv. 13 | 3,4-bis(1-methy...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ccccc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C22H17N3O2/c1-24-11-15(13-7-3-5-9-17(13)24)19-20(22(27)23-21(19)26)16-12-25(2)18-10-6-4-8-14(16)18/h3-12H,1-2H3,(H,23,26,27)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/a25



DCR&T, Lilly Spain S.A.



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A...


Bioorg Med Chem Lett 13: 3841-6 (2003)


Article DOI: 10.1002/prot.21207
BindingDB Entry DOI: 10.7270/Q2FN14C5
More data for this
Ligand-Target Pair