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PubMed code 27123901

Compile data set for download or QSAR
Found 7 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))
BDBM50341243
PNG
((3S,6R)-1-[6-(3-Amino-1H-indazol-6-yl)-2-(methylam...)
Show SMILES CNc1nc(cc(n1)-c1ccc2c(N)n[nH]c2c1)N1C[C@H](CC[C@H]1C)C(=O)NC1CCCCC1 |r|
Show InChI InChI=1S/C25H34N8O/c1-15-8-9-17(24(34)28-18-6-4-3-5-7-18)14-33(15)22-13-20(29-25(27-2)30-22)16-10-11-19-21(12-16)31-32-23(19)26/h10-13,15,17-18H,3-9,14H2,1-2H3,(H,28,34)(H3,26,31,32)(H,27,29,30)/t15-,17+/m1/s1
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Article
PubMed
n/an/a 2.5n/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Inhibition of PDK1 (unknown origin)


Eur J Med Chem 118: 47-63 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.003
BindingDB Entry DOI: 10.7270/Q2F191NB
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM50184998
PNG
(CHEMBL3823242)
Show SMILES OP(O)(=O)OC[C@H]1[C@@H](OCc2ccccc2)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O |r|
Show InChI InChI=1S/C14H25O21P5/c15-36(16,17)31-7-9-10(30-6-8-4-2-1-3-5-8)12(33-38(21,22)23)14(35-40(27,28)29)13(34-39(24,25)26)11(9)32-37(18,19)20/h1-5,9-14H,6-7H2,(H2,15,16,17)(H2,18,19,20)(H2,21,22,23)(H2,24,25,26)(H2,27,28,29)/t9-,10+,11+,12+,13-,14-/m0/s1
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Article
PubMed
n/an/a 27n/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Inhibition of PDK1 (unknown origin)


Eur J Med Chem 118: 47-63 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.003
BindingDB Entry DOI: 10.7270/Q2F191NB
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM50185001
PNG
(CHEMBL3824119 | US10351548, Compound IB35)
Show SMILES Fc1ccc(Cn2cccc(C(=O)NCC(=O)Nc3ccc4NC(=O)\C(=C/c5cnc[nH]5)c4c3)c2=O)cc1F
Show InChI InChI=1S/C27H20F2N6O4/c28-21-5-3-15(8-22(21)29)13-35-7-1-2-18(27(35)39)25(37)31-12-24(36)33-16-4-6-23-19(9-16)20(26(38)34-23)10-17-11-30-14-32-17/h1-11,14H,12-13H2,(H,30,32)(H,31,37)(H,33,36)(H,34,38)/b20-10-
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n/an/a 112n/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Inhibition of PDK1 (unknown origin) by FRET-based Z-lyte assay


Eur J Med Chem 118: 47-63 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.003
BindingDB Entry DOI: 10.7270/Q2F191NB
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM50185000
PNG
(CHEMBL3823844 | US10351548, Compound SA16)
Show SMILES Fc1ccc(Cn2cccc(C(=O)N[C@@H](C(=O)Nc3ccc4NC(=O)\C(=C/c5cnc[nH]5)c4c3)c3ccccc3)c2=O)cc1F |r|
Show InChI InChI=1S/C33H24F2N6O4/c34-26-10-8-19(13-27(26)35)17-41-12-4-7-23(33(41)45)30(42)40-29(20-5-2-1-3-6-20)32(44)38-21-9-11-28-24(14-21)25(31(43)39-28)15-22-16-36-18-37-22/h1-16,18,29H,17H2,(H,36,37)(H,38,44)(H,39,43)(H,40,42)/b25-15-/t29-/m1/s1
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Article
PubMed
n/an/a 416n/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Inhibition of PDK1 (unknown origin) by FRET-based Z-lyte assay


Eur J Med Chem 118: 47-63 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.003
BindingDB Entry DOI: 10.7270/Q2F191NB
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM50185003
PNG
(CHEMBL3824264 | US10351548, Compound JJ31)
Show SMILES Fc1ccc(Cn2cccc(C(=O)Nc3ccc4NC(=O)\C(=C/c5cnc[nH]5)c4c3)c2=O)cc1F
Show InChI InChI=1S/C25H17F2N5O3/c26-20-5-3-14(8-21(20)27)12-32-7-1-2-17(25(32)35)23(33)30-15-4-6-22-18(9-15)19(24(34)31-22)10-16-11-28-13-29-16/h1-11,13H,12H2,(H,28,29)(H,30,33)(H,31,34)/b19-10-
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PubMed
n/an/a 512n/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Inhibition of PDK1 (unknown origin) by FRET-based Z-lyte assay


Eur J Med Chem 118: 47-63 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.003
BindingDB Entry DOI: 10.7270/Q2F191NB
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM50184999
PNG
(CHEMBL3823622 | US10351548, Compound SA23)
Show SMILES Fc1ccc(Cn2cccc(C(=O)N[C@@H](C(=O)Nc3ccc4NC(=O)\C(=C/c5ncc[nH]5)c4c3)c3ccccc3)c2=O)cc1F |r|
Show InChI InChI=1S/C33H24F2N6O4/c34-25-10-8-19(15-26(25)35)18-41-14-4-7-22(33(41)45)30(42)40-29(20-5-2-1-3-6-20)32(44)38-21-9-11-27-23(16-21)24(31(43)39-27)17-28-36-12-13-37-28/h1-17,29H,18H2,(H,36,37)(H,38,44)(H,39,43)(H,40,42)/b24-17-/t29-/m1/s1
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PubMed
n/an/a 1.52E+3n/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Inhibition of PDK1 (unknown origin) by FRET-based Z-lyte assay


Eur J Med Chem 118: 47-63 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.003
BindingDB Entry DOI: 10.7270/Q2F191NB
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM50185002
PNG
(CHEMBL3822974 | US10351548, Compound IB32)
Show SMILES Fc1ccc(Cn2cccc(C(=O)NCC(=O)Nc3ccc4NC(=O)Cc4c3)c2=O)cc1F
Show InChI InChI=1S/C23H18F2N4O4/c24-17-5-3-13(8-18(17)25)12-29-7-1-2-16(23(29)33)22(32)26-11-21(31)27-15-4-6-19-14(9-15)10-20(30)28-19/h1-9H,10-12H2,(H,26,32)(H,27,31)(H,28,30)
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PubMed
n/an/a 6.68E+3n/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Inhibition of PDK1 (unknown origin) by FRET-based Z-lyte assay


Eur J Med Chem 118: 47-63 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.003
BindingDB Entry DOI: 10.7270/Q2F191NB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%