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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '3-phosphoinositide-dependent protein kinase 1 [51-360]' and Ligand = 'BDBM366190'   
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
3-phosphoinositide-dependent protein kinase 1 [51-360]


(Homo sapiens (Human))
BDBM366190
PNG
(US9873693, Compound 113 | US9873693, Compound 274)
Show SMILES Fc1ccc(Cn2cccc(C(=O)NCCOc3ccc4[nH]c(=O)[nH]c4c3)c2=O)cc1F
Show InChI InChI=1S/C22H18F2N4O4/c23-16-5-3-13(10-17(16)24)12-28-8-1-2-15(21(28)30)20(29)25-7-9-32-14-4-6-18-19(11-14)27-22(31)26-18/h1-6,8,10-11H,7,9,12H2,(H,25,29)(H2,26,27,31)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Duquesne University



Assay Description
A PDK1 kinase assay was performed as follows. PDK1 (amino acids 51-360) and AKT2 (amino acids 140-467 fused to PIFtide, amino acids EEQEMFRDFDYIADW) ...


J Med Chem 51: 68-76 (2008)


BindingDB Entry DOI: 10.7270/Q2H41TRT
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 [51-360]


(Homo sapiens (Human))
BDBM366190
PNG
(US9873693, Compound 113 | US9873693, Compound 274)
Show SMILES Fc1ccc(Cn2cccc(C(=O)NCCOc3ccc4[nH]c(=O)[nH]c4c3)c2=O)cc1F
Show InChI InChI=1S/C22H18F2N4O4/c23-16-5-3-13(10-17(16)24)12-28-8-1-2-15(21(28)30)20(29)25-7-9-32-14-4-6-18-19(11-14)27-22(31)26-18/h1-6,8,10-11H,7,9,12H2,(H,25,29)(H2,26,27,31)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Duquesne University



Assay Description
A PDK1 kinase assay was performed as follows. PDK1 (amino acids 51-360) and AKT2 (amino acids 140-467 fused to PIFtide, amino acids EEQEMFRDFDYIADW) ...


J Med Chem 51: 68-76 (2008)


BindingDB Entry DOI: 10.7270/Q2H41TRT
More data for this
Ligand-Target Pair