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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'RAC-alpha serine/threonine-protein kinase' and Ligand = 'BDBM369768'   
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
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM369768
PNG
(US10233160, Compound 59 | US9981925, Compound 59)
Show SMILES CCNC[C@@H](Nc1ncnc2c(ccnc12)C(N)=O)c1ccc(c(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C20H18F6N6O/c1-2-28-8-14(10-3-4-12(19(21,22)23)13(7-10)20(24,25)26)32-18-16-15(30-9-31-18)11(17(27)33)5-6-29-16/h3-7,9,14,28H,2,8H2,1H3,(H2,27,33)(H,30,31,32)/t14-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<25n/an/an/an/an/an/a



University of Athens



Assay Description
In order to measure AKT inhibition in the Caliper Life Sciences LC3000, a TTP Mosquito liquid handling instrument was used to place 125 nl of the app...


J Med Chem 51: 2216-2226 (2008)


BindingDB Entry DOI: 10.7270/Q27H1MWF
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM369768
PNG
(US10233160, Compound 59 | US9981925, Compound 59)
Show SMILES CCNC[C@@H](Nc1ncnc2c(ccnc12)C(N)=O)c1ccc(c(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C20H18F6N6O/c1-2-28-8-14(10-3-4-12(19(21,22)23)13(7-10)20(24,25)26)32-18-16-15(30-9-31-18)11(17(27)33)5-6-29-16/h3-7,9,14,28H,2,8H2,1H3,(H2,27,33)(H,30,31,32)/t14-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 62.5n/an/an/an/an/an/a



Anadys Pharmaceuticals



Assay Description
In order to measure AKT inhibition in the Caliper Life Sciences LC3000, a TTP Mosquito liquid handling instrument was used to place 125 nl of the app...


Bioorg Med Chem Lett 18: 4181-5 (2008)


BindingDB Entry DOI: 10.7270/Q2319Z6K
More data for this
Ligand-Target Pair