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PubMed code 19606904

Compile data set for download or QSAR
Found 8 hits of Enzyme Inhibition Constant Data   
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


(Homo sapiens (human))
BDBM50296954
PNG
((Z)-5-(4-bromo-2-fluorophenyl)-3-phenylpent-2-enoi...)
Show SMILES OC(=O)\C=C(\CCc1ccc(Br)cc1F)c1ccccc1
Show InChI InChI=1S/C17H14BrFO2/c18-15-9-8-13(16(19)11-15)6-7-14(10-17(20)21)12-4-2-1-3-5-12/h1-5,8-11H,6-7H2,(H,20,21)/b14-10-
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n/an/an/a 6.20E+3n/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Binding affinity to PDK1 (50 to 359) by isothermal titration calorimetry


J Med Chem 52: 4683-93 (2009)


Article DOI: 10.1021/jm9001499
BindingDB Entry DOI: 10.7270/Q2FB52ZC
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM50296956
PNG
((Z)-5-(1H-Indol-3-yl)-3-phenylpent-2-enoic Acid | ...)
Show SMILES OC(=O)\C=C(\CCc1c[nH]c2ccccc12)c1ccccc1
Show InChI InChI=1S/C19H17NO2/c21-19(22)12-15(14-6-2-1-3-7-14)10-11-16-13-20-18-9-5-4-8-17(16)18/h1-9,12-13,20H,10-11H2,(H,21,22)/b15-12-
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n/an/an/a 1.00E+4n/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Binding affinity to PDK1 (50 to 359) by isothermal titration calorimetry


J Med Chem 52: 4683-93 (2009)


Article DOI: 10.1021/jm9001499
BindingDB Entry DOI: 10.7270/Q2FB52ZC
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM50296955
PNG
((Z)-5-(Naphthalen-2-yl)-3-phenylpent-2-enoic Acid ...)
Show SMILES OC(=O)\C=C(\CCc1ccc2ccccc2c1)c1ccccc1
Show InChI InChI=1S/C21H18O2/c22-21(23)15-20(17-6-2-1-3-7-17)13-11-16-10-12-18-8-4-5-9-19(18)14-16/h1-10,12,14-15H,11,13H2,(H,22,23)/b20-15-
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n/an/an/a 1.38E+4n/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Binding affinity to PDK1 (50 to 359) by isothermal titration calorimetry


J Med Chem 52: 4683-93 (2009)


Article DOI: 10.1021/jm9001499
BindingDB Entry DOI: 10.7270/Q2FB52ZC
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM50296951
PNG
((Z)-3-Phenyl-5-(4-(trifluoromethyl)phenyl)pent-2-e...)
Show SMILES OC(=O)\C=C(\CCc1ccc(cc1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C18H15F3O2/c19-18(20,21)16-10-7-13(8-11-16)6-9-15(12-17(22)23)14-4-2-1-3-5-14/h1-5,7-8,10-12H,6,9H2,(H,22,23)/b15-12-
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n/an/an/a 1.04E+4n/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Binding affinity to PDK1 (50 to 359) by isothermal titration calorimetry


J Med Chem 52: 4683-93 (2009)


Article DOI: 10.1021/jm9001499
BindingDB Entry DOI: 10.7270/Q2FB52ZC
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM50296950
PNG
((Z)-5-(4-Bromophenyl)-3-phenylpent-2-enoic acid | ...)
Show SMILES OC(=O)\C=C(\CCc1ccc(Br)cc1)c1ccccc1
Show InChI InChI=1S/C17H15BrO2/c18-16-10-7-13(8-11-16)6-9-15(12-17(19)20)14-4-2-1-3-5-14/h1-5,7-8,10-12H,6,9H2,(H,19,20)/b15-12-
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n/an/an/a 2.09E+4n/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Binding affinity to PDK1 (50 to 359) by isothermal titration calorimetry


J Med Chem 52: 4683-93 (2009)


Article DOI: 10.1021/jm9001499
BindingDB Entry DOI: 10.7270/Q2FB52ZC
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM50296949
PNG
((2Z)-5-(4-chlorophenyl)-3-phenylpent-2-enoic acid ...)
Show SMILES OC(=O)\C=C(\CCc1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C17H15ClO2/c18-16-10-7-13(8-11-16)6-9-15(12-17(19)20)14-4-2-1-3-5-14/h1-5,7-8,10-12H,6,9H2,(H,19,20)/b15-12-
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MMDB
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Article
PubMed
n/an/an/a 1.03E+4n/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Binding affinity to PDK1 (50 to 359) by isothermal titration calorimetry


J Med Chem 52: 4683-93 (2009)


Article DOI: 10.1021/jm9001499
BindingDB Entry DOI: 10.7270/Q2FB52ZC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM50296952
PNG
((Z)-5-(3,4-Dichlorophenyl)-3-phenylpent-2-enoic Ac...)
Show SMILES OC(=O)\C=C(\CCc1ccc(Cl)c(Cl)c1)c1ccccc1
Show InChI InChI=1S/C17H14Cl2O2/c18-15-9-7-12(10-16(15)19)6-8-14(11-17(20)21)13-4-2-1-3-5-13/h1-5,7,9-11H,6,8H2,(H,20,21)/b14-11-
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n/an/an/a 1.39E+4n/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Binding affinity to PDK1 (50 to 359) by isothermal titration calorimetry


J Med Chem 52: 4683-93 (2009)


Article DOI: 10.1021/jm9001499
BindingDB Entry DOI: 10.7270/Q2FB52ZC
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM50296953
PNG
((Z)-5-(2,4-Dichlorophenyl)-3-phenylpent-2-enoic Ac...)
Show SMILES OC(=O)\C=C(\CCc1ccc(Cl)cc1Cl)c1ccccc1
Show InChI InChI=1S/C17H14Cl2O2/c18-15-9-8-13(16(19)11-15)6-7-14(10-17(20)21)12-4-2-1-3-5-12/h1-5,8-11H,6-7H2,(H,20,21)/b14-10-
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Article
PubMed
n/an/an/a 5.90E+3n/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Binding affinity to PDK1 (50 to 359) by isothermal titration calorimetry


J Med Chem 52: 4683-93 (2009)


Article DOI: 10.1021/jm9001499
BindingDB Entry DOI: 10.7270/Q2FB52ZC
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%