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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 = 'BDBM369746'   
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))
BDBM369746
PNG
(US10233160, Compound 37 | US9981925, Compound 37)
Show SMILES CC(C)c1ccc(cc1)[C@@H](CN1CCC1)Nc1ncnc2c(ccnc12)C(N)=O |r|
Show InChI InChI=1S/C22H26N6O/c1-14(2)15-4-6-16(7-5-15)18(12-28-10-3-11-28)27-22-20-19(25-13-26-22)17(21(23)29)8-9-24-20/h4-9,13-14,18H,3,10-12H2,1-2H3,(H2,23,29)(H,25,26,27)/t18-/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
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM369746
PNG
(US10233160, Compound 37 | US9981925, Compound 37)
Show SMILES CC(C)c1ccc(cc1)[C@@H](CN1CCC1)Nc1ncnc2c(ccnc12)C(N)=O |r|
Show InChI InChI=1S/C22H26N6O/c1-14(2)15-4-6-16(7-5-15)18(12-28-10-3-11-28)27-22-20-19(25-13-26-22)17(21(23)29)8-9-24-20/h4-9,13-14,18H,3,10-12H2,1-2H3,(H2,23,29)(H,25,26,27)/t18-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 750n/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