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Compile Data Set for Download or QSAR

Found 1920 hits Enz. Inhib. hit(s) with Target = 'Pyruvate dehydrogenase kinase' AND taxid = 9606   
Target
(Institution)
LigandTarget
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))
BDBM50361649
PNG
(CHEMBL1938415)
Show SMILES CC(C)n1cc(C(=O)c2cncc(N[C@@H]3COC[C@@H]3c3ccc(F)cc3)n2)c2c(N)ncnc12
Show InChI InChI=1S/C24H24FN7O2/c1-13(2)32-9-16(21-23(26)28-12-29-24(21)32)22(33)18-7-27-8-20(30-18)31-19-11-34-10-17(19)14-3-5-15(25)6-4-14/h3-9,12-13,17,19H,10-11H2,1-2H3,(H,30,31)(H2,26,28,29)/t17-,19-/m1/s1
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0.600n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDK1-mediated AKT1 phosphorylation at T308 in human H460 cells after 2 hrs by ELISA


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM50361648
PNG
(CHEMBL1940246)
Show SMILES CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCC[C@@H]3c3ccc(F)cc3)n2)c2c(N)ncnc12
Show InChI InChI=1S/C25H26FN7O/c1-14(2)33-12-18(22-24(27)29-13-30-25(22)33)23(34)20-10-28-11-21(32-20)31-19-5-3-4-17(19)15-6-8-16(26)9-7-15/h6-14,17,19H,3-5H2,1-2H3,(H,31,32)(H2,27,29,30)/t17-,19-/m1/s1
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0.600n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDK1-mediated AKT1 phosphorylation at T308 in human H460 cells after 2 hrs by ELISA


Citation and Details
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM50361642
PNG
(CHEMBL1940251)
Show SMILES CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCN(C=O)[C@@H]3c3ccc(F)cc3)n2)c2c(N)ncnc12
Show InChI InChI=1S/C25H25FN8O2/c1-14(2)34-11-17(21-24(27)29-12-30-25(21)34)23(36)19-9-28-10-20(32-19)31-18-7-8-33(13-35)22(18)15-3-5-16(26)6-4-15/h3-6,9-14,18,22H,7-8H2,1-2H3,(H,31,32)(H2,27,29,30)/t18-,22-/m1/s1
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0.700n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged PDK1 catalytic domain using Ac-Sox-PKTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIAD-NH2 as substrate by fluorescence...


Citation and Details
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM50361641
PNG
(CHEMBL1940247)
Show SMILES CC(C)n1cc(C(=O)c2cncc(n2)N(C)[C@@H]2CCC[C@@H]2c2ccc(F)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C26H28FN7O/c1-15(2)34-13-19(23-25(28)30-14-31-26(23)34)24(35)20-11-29-12-22(32-20)33(3)21-6-4-5-18(21)16-7-9-17(27)10-8-16/h7-15,18,21H,4-6H2,1-3H3,(H2,28,30,31)/t18-,21-/m1/s1
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0.900n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDK1-mediated AKT1 phosphorylation at T308 in human H460 cells after 2 hrs by ELISA


Citation and Details
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM50361652
PNG
(CHEMBL1940250)
Show SMILES CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCN[C@@H]3c3ccc(F)cc3)n2)c2c(N)ncnc12
Show InChI InChI=1S/C24H25FN8O/c1-13(2)33-11-16(20-23(26)29-12-30-24(20)33)22(34)18-9-27-10-19(32-18)31-17-7-8-28-21(17)14-3-5-15(25)6-4-14/h3-6,9-13,17,21,28H,7-8H2,1-2H3,(H,31,32)(H2,26,29,30)/t17-,21-/m1/s1
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1n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDK1-mediated AKT1 phosphorylation at T308 in human H460 cells after 2 hrs by ELISA


Citation and Details
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM50361650
PNG
(CHEMBL1940248)
Show SMILES CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCO[C@@H]3c3ccc(F)cc3)n2)c2c(N)ncnc12
Show InChI InChI=1S/C24H24FN7O2/c1-13(2)32-11-16(20-23(26)28-12-29-24(20)32)21(33)18-9-27-10-19(31-18)30-17-7-8-34-22(17)14-3-5-15(25)6-4-14/h3-6,9-13,17,22H,7-8H2,1-2H3,(H,30,31)(H2,26,28,29)/t17-,22-/m1/s1
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1.30n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDK1-mediated AKT1 phosphorylation at T308 in human H460 cells after 2 hrs by ELISA


Citation and Details
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM50361643
PNG
(CHEMBL1940252)
Show SMILES CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCN([C@@H]3c3ccc(F)cc3)C(C)=O)n2)c2c(N)ncnc12
Show InChI InChI=1S/C26H27FN8O2/c1-14(2)35-12-18(22-25(28)30-13-31-26(22)35)24(37)20-10-29-11-21(33-20)32-19-8-9-34(15(3)36)23(19)16-4-6-17(27)7-5-16/h4-7,10-14,19,23H,8-9H2,1-3H3,(H,32,33)(H2,28,30,31)/t19-,23-/m1/s1
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1.40n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged PDK1 catalytic domain using Ac-Sox-PKTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIAD-NH2 as substrate by fluorescence...


Citation and Details
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM50361644
PNG
(CHEMBL1940253)
Show SMILES CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCN([C@@H]3c3ccccc3)C(C)=O)n2)c2c(N)ncnc12
Show InChI InChI=1S/C26H28N8O2/c1-15(2)34-13-18(22-25(27)29-14-30-26(22)34)24(36)20-11-28-12-21(32-20)31-19-9-10-33(16(3)35)23(19)17-7-5-4-6-8-17/h4-8,11-15,19,23H,9-10H2,1-3H3,(H,31,32)(H2,27,29,30)/t19-,23-/m1/s1
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1.40n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged PDK1 catalytic domain using Ac-Sox-PKTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIAD-NH2 as substrate by fluorescence...


Citation and Details
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM50361653
PNG
(CHEMBL1940245)
Show SMILES CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCC[C@@H]3c3ccccc3)n2)c2c(N)ncnc12
Show InChI InChI=1S/C25H27N7O/c1-15(2)32-13-18(22-24(26)28-14-29-25(22)32)23(33)20-11-27-12-21(31-20)30-19-10-6-9-17(19)16-7-4-3-5-8-16/h3-5,7-8,11-15,17,19H,6,9-10H2,1-2H3,(H,30,31)(H2,26,28,29)/t17-,19-/m1/s1
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2n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDK1-mediated AKT1 phosphorylation at T308 in human H460 cells after 2 hrs by ELISA


Citation and Details
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM50361651
PNG
(CHEMBL1940249)
Show SMILES CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CNC[C@@H]3c3ccc(F)cc3)n2)c2c(N)ncnc12
Show InChI InChI=1S/C24H25FN8O/c1-13(2)33-11-17(21-23(26)29-12-30-24(21)33)22(34)19-9-28-10-20(32-19)31-18-8-27-7-16(18)14-3-5-15(25)6-4-14/h3-6,9-13,16,18,27H,7-8H2,1-2H3,(H,31,32)(H2,26,29,30)/t16-,18-/m1/s1
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2.5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDK1-mediated AKT1 phosphorylation at T308 in human H460 cells after 2 hrs by ELISA


Citation and Details
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM50361647
PNG
(CHEMBL1940244)
Show SMILES CC(C)n1cc(C(=O)c2cncc(NCCc3cccnc3)n2)c2c(N)ncnc12
Show InChI InChI=1S/C21H22N8O/c1-13(2)29-11-15(18-20(22)26-12-27-21(18)29)19(30)16-9-24-10-17(28-16)25-7-5-14-4-3-6-23-8-14/h3-4,6,8-13H,5,7H2,1-2H3,(H,25,28)(H2,22,26,27)
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35n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDK1-mediated AKT1 phosphorylation at T308 in human H460 cells after 2 hrs by ELISA


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM50402020
PNG
(CHEMBL2205426)
Show SMILES CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(cc3)-c3ccncc3)n2)c(=O)c1=O
Show InChI InChI=1S/C23H22N6O2/c1-23(2,3)29-19-18(20(30)21(19)31)27-17-10-13-25-22(28-17)26-16-6-4-14(5-7-16)15-8-11-24-12-9-15/h4-13,29H,1-3H3,(H2,25,26,27,28)
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71n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant PDK1 after 1 hr by scintillation counter analysis in presence of gamma-[33P]ATP


Citation and Details
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM50361646
PNG
(CHEMBL1940243)
Show SMILES CNc1cncc(n1)C(=O)c1cn(C(C)C)c2ncnc(N)c12
Show InChI InChI=1S/C15H17N7O/c1-8(2)22-6-9(12-14(16)19-7-20-15(12)22)13(23)10-4-18-5-11(17-3)21-10/h4-8H,1-3H3,(H,17,21)(H2,16,19,20)
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100n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDK1-mediated AKT1 phosphorylation at T308 in human H460 cells after 2 hrs by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoenzyme 1 (PDK1)


(Homo sapiens (human))
BDBM50224883
PNG
(7-chloro-3-oxo-8-[(thiazol-5-ylmethyl)-amino]-11,1...)
Show SMILES Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NCc1cncs1)n3
Show InChI InChI=1S/C20H18ClN7O3S/c21-13-5-15-17(6-14(13)24-9-12-8-23-11-32-12)30-3-1-2-4-31-19-16(7-22)25-10-18(27-19)28-20(29)26-15/h5-6,8,10-11,24H,1-4,9H2,(H2,26,27,28,29)
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3.48E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PDK1


Citation and Details
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoenzyme 1 (PDK1)


(Homo sapiens (human))
BDBM50297455
PNG
(1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3...)
Show SMILES Cc1ccc2C(N=O)C(=O)N(Cc3cc(F)cc4COCOc34)c2c1
Show InChI InChI=1S/C18H15FN2O4/c1-10-2-3-14-15(4-10)21(18(22)16(14)20-23)7-11-5-13(19)6-12-8-24-9-25-17(11)12/h2-6,16H,7-9H2,1H3
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>3.00E+4n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of PDK1


Citation and Details
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM50341250
PNG
(CHEMBL1765751 | N-{(3R,5R)-1-[2-Amino-6-(3-amino-1...)
Show SMILES C[C@@H]1C[C@H](CN(C1)c1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1)N(C)C(=O)CC(C)(C)C
Show InChI InChI=1S/C24H34N8O/c1-14-8-16(31(5)21(33)11-24(2,3)4)13-32(12-14)20-10-18(27-23(26)28-20)15-6-7-17-19(9-15)29-30-22(17)25/h6-7,9-10,14,16H,8,11-13H2,1-5H3,(H3,25,29,30)(H2,26,27,28)/t14-,16-/m1/s1
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n/an/a 0.631n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PDK1


Citation and Details
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM50341249
PNG
(1,1-Dimethylethyl{(3R,5R)-1-[2-Amino-6-(3-amino-1H...)
Show SMILES CNc1nc(cc(n1)-c1ccc2c(N)n[nH]c2c1)N1C[C@H](C)C[C@H](C1)N(C)C(=O)OC(C)(C)C
Show InChI InChI=1S/C24H34N8O2/c1-14-9-16(31(6)23(33)34-24(2,3)4)13-32(12-14)20-11-18(27-22(26-5)28-20)15-7-8-17-19(10-15)29-30-21(17)25/h7-8,10-11,14,16H,9,12-13H2,1-6H3,(H3,25,29,30)(H,26,27,28)/t14-,16-/m1/s1
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n/an/a 0.794n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PDK1


Citation and Details
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM105303
PNG
(US8575203, I-70)
Show SMILES CN1CCC(CC1)Nc1cnc2ccc(cc2c1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
Show InChI InChI=1S/C30H28F2N6O2/c1-37-11-8-23(9-12-37)36-24-15-22-13-20(5-7-28(22)35-16-24)3-2-10-34-29(39)25-17-33-19-38(30(25)40)18-21-4-6-26(31)27(32)14-21/h4-7,13-17,19,23,36H,8-12,18H2,1H3,(H,34,39)
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US Patent
n/an/a 1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vit...


US Patent US8575203 (2013)

More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM105308
PNG
(US8575203, I-75)
Show SMILES CCN1CCC(CC1)Nc1cnc2ccc(cc2c1)C#CCNC(=O)c1cccn([C@@H](C)c2ccc(F)c(F)c2)c1=O
Show InChI InChI=1S/C33H33F2N5O2/c1-3-39-16-12-26(13-17-39)38-27-19-25-18-23(8-11-31(25)37-21-27)6-4-14-36-32(41)28-7-5-15-40(33(28)42)22(2)24-9-10-29(34)30(35)20-24/h5,7-11,15,18-22,26,38H,3,12-14,16-17H2,1-2H3,(H,36,41)/t22-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vit...


US Patent US8575203 (2013)

More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM105283
PNG
(US8575203, I-50)
Show SMILES CCN1CCC(CC1)Nc1cnc2ccc(cc2n1)C#CCNC(=O)c1cccn([C@@H](CO)c2ccc(F)c(F)c2)c1=O
Show InChI InChI=1S/C32H32F2N6O3/c1-2-39-15-11-23(12-16-39)37-30-19-36-27-10-7-21(17-28(27)38-30)5-3-13-35-31(42)24-6-4-14-40(32(24)43)29(20-41)22-8-9-25(33)26(34)18-22/h4,6-10,14,17-19,23,29,41H,2,11-13,15-16,20H2,1H3,(H,35,42)(H,37,38)/t29-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vit...


US Patent US8575203 (2013)

More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM139796
PNG
(US8895581, II-17)
Show SMILES CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn([C@@H](C)c2ccc(F)c(F)c2)c1=O
Show InChI InChI=1/C31H27F2N5O2/c1-18(2)38-20(4)36-28-17-35-27-12-9-21(15-24(27)29(28)38)7-5-13-34-30(39)23-8-6-14-37(31(23)40)19(3)22-10-11-25(32)26(33)16-22/h6,8-12,14-19H,13H2,1-4H3,(H,34,39)/t19-/s2
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n/an/a 1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Recombinant human PDK1 enzyme (aa 52-556) linked at its N-terminal end to His6 is isolated from baculovirus-infected insect cells. Purified enzyme ma...


US Patent US8895581 (2014)

More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM139765
PNG
(US8895581, I-1)
Show SMILES Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4ncc5nc[nH]c5c4c3)c2=O)cc1F
Show InChI InChI=1S/C25H16F2N6O2/c26-19-5-3-16(9-20(19)27)12-33-14-28-10-18(25(33)35)24(34)29-7-1-2-15-4-6-21-17(8-15)23-22(11-30-21)31-13-32-23/h3-6,8-11,13-14H,7,12H2,(H,29,34)(H,31,32)
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n/an/a 1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Recombinant human PDK1 enzyme (aa 52-556) linked at its N-terminal end to His6 is isolated from baculovirus-infected insect cells. Purified enzyme ma...


US Patent US8895581 (2014)

More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM139785
PNG
(US8895581, II-6)
Show SMILES CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn([C@H](CO)c2cccc(F)c2)c1=O
Show InChI InChI=1/C31H28FN5O3/c1-19(2)37-20(3)35-27-17-34-26-12-11-21(15-25(26)29(27)37)7-5-13-33-30(39)24-10-6-14-36(31(24)40)28(18-38)22-8-4-9-23(32)16-22/h4,6,8-12,14-17,19,28,38H,13,18H2,1-3H3,(H,33,39)/t28-/s2
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n/an/a 1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Recombinant human PDK1 enzyme (aa 52-556) linked at its N-terminal end to His6 is isolated from baculovirus-infected insect cells. Purified enzyme ma...


US Patent US8895581 (2014)

More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM139845
PNG
(US8895581, III-31)
Show SMILES CCn1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
Show InChI InChI=1S/C27H20F2N6O2/c1-2-34-16-33-24-13-32-23-8-6-17(10-19(23)25(24)34)4-3-9-31-26(36)20-12-30-15-35(27(20)37)14-18-5-7-21(28)22(29)11-18/h5-8,10-13,15-16H,2,9,14H2,1H3,(H,31,36)
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n/an/a 1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Recombinant human PDK1 enzyme (aa 52-556) linked at its N-terminal end to His6 is isolated from baculovirus-infected insect cells. Purified enzyme ma...


US Patent US8895581 (2014)

More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM139798
PNG
(US8895581, II-19)
Show SMILES COc1cc(C(=O)NCC#Cc2ccc3ncc4nc(C)n(C(C)C)c4c3c2)c(=O)n(Cc2ccc(F)c(F)c2)n1
Show InChI InChI=1S/C30H26F2N6O3/c1-17(2)38-18(3)35-26-15-34-25-10-8-19(12-21(25)28(26)38)6-5-11-33-29(39)22-14-27(41-4)36-37(30(22)40)16-20-7-9-23(31)24(32)13-20/h7-10,12-15,17H,11,16H2,1-4H3,(H,33,39)
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n/an/a 1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Recombinant human PDK1 enzyme (aa 52-556) linked at its N-terminal end to His6 is isolated from baculovirus-infected insect cells. Purified enzyme ma...


US Patent US8895581 (2014)

More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM139819
PNG
(US8895581, III-5)
Show SMILES C[C@@H](c1ccc(F)c(F)c1)n1cccc(C(=O)NCC#Cc2ccc3ncc4nc(C)n([C@@H]5CC[C@@H](CC5)N(C)C)c4c3c2)c1=O
Show InChI InChI=1/C36H36F2N6O2/c1-22(25-10-15-30(37)31(38)20-25)43-18-6-8-28(36(43)46)35(45)39-17-5-7-24-9-16-32-29(19-24)34-33(21-40-32)41-23(2)44(34)27-13-11-26(12-14-27)42(3)4/h6,8-10,15-16,18-22,26-27H,11-14,17H2,1-4H3,(H,39,45)/t22-,26-,27+/s2
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n/an/a 1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Recombinant human PDK1 enzyme (aa 52-556) linked at its N-terminal end to His6 is isolated from baculovirus-infected insect cells. Purified enzyme ma...


US Patent US8895581 (2014)

More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 1


(Homo sapiens (human))
BDBM50329427
PNG
(5-(2-Amino-pyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-c...)
Show SMILES NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(N)n1
Show InChI InChI=1S/C15H13N5O/c16-14(21)10-8-12(11-6-7-18-15(17)20-11)19-13(10)9-4-2-1-3-5-9/h1-8,19H,(H2,16,21)(H2,17,18,20)
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n/an/a>1n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of PDK1


Citation and Details
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM139828
PNG
(US8895581, III-14)
Show SMILES CN1CCC(CC1)n1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1cc(Cl)nn(Cc2ccc(F)c(F)c2)c1=O
Show InChI InChI=1S/C31H26ClF2N7O2/c1-39-11-8-21(9-12-39)40-18-37-27-16-36-26-7-5-19(13-22(26)29(27)40)3-2-10-35-30(42)23-15-28(32)38-41(31(23)43)17-20-4-6-24(33)25(34)14-20/h4-7,13-16,18,21H,8-12,17H2,1H3,(H,35,42)
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n/an/a 1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Recombinant human PDK1 enzyme (aa 52-556) linked at its N-terminal end to His6 is isolated from baculovirus-infected insect cells. Purified enzyme ma...


US Patent US8895581 (2014)

More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM139837
PNG
(US8895581, III-23)
Show SMILES C[C@@H](c1ccc(F)c(F)c1)n1cccc(C(=O)NCC#Cc2ccc3ncc4nc(C)n([C@H]5CC[C@@H](CC5)N(C)C)c4c3c2)c1=O
Show InChI InChI=1/C36H36F2N6O2/c1-22(25-10-15-30(37)31(38)20-25)43-18-6-8-28(36(43)46)35(45)39-17-5-7-24-9-16-32-29(19-24)34-33(21-40-32)41-23(2)44(34)27-13-11-26(12-14-27)42(3)4/h6,8-10,15-16,18-22,26-27H,11-14,17H2,1-4H3,(H,39,45)/t22-,26-,27-/s2
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n/an/a 1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Recombinant human PDK1 enzyme (aa 52-556) linked at its N-terminal end to His6 is isolated from baculovirus-infected insect cells. Purified enzyme ma...


US Patent US8895581 (2014)

More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM139840
PNG
(US8895581, III-26)
Show SMILES CN(C)[C@H]1CC[C@@H](CC1)n1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn([C@@H](CO)c2cccc(F)c2)c1=O
Show InChI InChI=1/C35H35FN6O3/c1-40(2)26-11-13-27(14-12-26)42-22-39-31-20-38-30-15-10-23(18-29(30)33(31)42)6-4-16-37-34(44)28-9-5-17-41(35(28)45)32(21-43)24-7-3-8-25(36)19-24/h3,5,7-10,15,17-20,22,26-27,32,43H,11-14,16,21H2,1-2H3,(H,37,44)/t26-,27-,32-/s2
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n/an/a 1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Recombinant human PDK1 enzyme (aa 52-556) linked at its N-terminal end to His6 is isolated from baculovirus-infected insect cells. Purified enzyme ma...


US Patent US8895581 (2014)

More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM50341241
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
Show InChI InChI=1S/C25H28N8O/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/h3-7,10-13,15,17H,8-9,14H2,1-2H3,(H,28,34)(H3,26,31,32)(H,27,29,30)/t15-,17+/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PDK1


Citation and Details
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM105357
PNG
(US8575203, I-124)
Show SMILES CC(c1ccc(F)c(F)c1)n1cccc(C(=O)NCC#Cc2ccc3nccc(OCCCN(C)C)c3c2)c1=O
Show InChI InChI=1S/C31H30F2N4O3/c1-21(23-10-11-26(32)27(33)20-23)37-17-5-8-24(31(37)39)30(38)35-14-4-7-22-9-12-28-25(19-22)29(13-15-34-28)40-18-6-16-36(2)3/h5,8-13,15,17,19-21H,6,14,16,18H2,1-3H3,(H,35,38)
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n/an/a 2n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vit...


US Patent US8575203 (2013)

More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM139847
PNG
(US8895581, III-33)
Show SMILES CCn1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
Show InChI InChI=1S/C28H22F2N6O2/c1-3-36-17(2)34-25-14-33-24-9-7-18(11-20(24)26(25)36)5-4-10-32-27(37)21-13-31-16-35(28(21)38)15-19-6-8-22(29)23(30)12-19/h6-9,11-14,16H,3,10,15H2,1-2H3,(H,32,37)
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n/an/a 2n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Recombinant human PDK1 enzyme (aa 52-556) linked at its N-terminal end to His6 is isolated from baculovirus-infected insect cells. Purified enzyme ma...


US Patent US8895581 (2014)

More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM105356
PNG
(US8575203, I-123)
Show SMILES Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4nccc(OCC5CCCNC5)c4c3)c2=O)cc1F
Show InChI InChI=1S/C30H27F2N5O3/c31-25-7-5-21(14-26(25)32)17-37-19-34-16-24(30(37)39)29(38)36-11-2-3-20-6-8-27-23(13-20)28(9-12-35-27)40-18-22-4-1-10-33-15-22/h5-9,12-14,16,19,22,33H,1,4,10-11,15,17-18H2,(H,36,38)
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n/an/a 2n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vit...


US Patent US8575203 (2013)

More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM105367
PNG
(US8575203, I-125.9)
Show SMILES CN1CC[C@H](COc2ccnc3ccc(cc23)C#CCNC(=O)c2cccn(Cc3cc(F)c(F)c(F)c3)c2=O)C1
Show InChI InChI=1S/C31H27F3N4O3/c1-37-13-9-21(17-37)19-41-28-8-11-35-27-7-6-20(14-24(27)28)4-2-10-36-30(39)23-5-3-12-38(31(23)40)18-22-15-25(32)29(34)26(33)16-22/h3,5-8,11-12,14-16,21H,9-10,13,17-19H2,1H3,(H,36,39)/t21-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vit...


US Patent US8575203 (2013)

More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM105376
PNG
(US8575203, I-125.18)
Show SMILES CC(c1cc(F)c(F)c(F)c1)n1cccc(C(=O)NCC#Cc2ccc3nccc(OC[C@@H]4CCCN(C)C4)c3c2)c1=O
Show InChI InChI=1S/C33H31F3N4O3/c1-21(24-17-27(34)31(36)28(35)18-24)40-15-5-8-25(33(40)42)32(41)38-12-3-6-22-9-10-29-26(16-22)30(11-13-37-29)43-20-23-7-4-14-39(2)19-23/h5,8-11,13,15-18,21,23H,4,7,12,14,19-20H2,1-2H3,(H,38,41)/t21?,23-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vit...


US Patent US8575203 (2013)

More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM105375
PNG
(US8575203, I-125.17)
Show SMILES CN1CCC[C@@H](COc2ccnc3ccc(cc23)C#CCNC(=O)c2cccn(Cc3cc(F)c(F)c(F)c3)c2=O)C1
Show InChI InChI=1S/C32H29F3N4O3/c1-38-13-3-6-22(18-38)20-42-29-10-12-36-28-9-8-21(15-25(28)29)5-2-11-37-31(40)24-7-4-14-39(32(24)41)19-23-16-26(33)30(35)27(34)17-23/h4,7-10,12,14-17,22H,3,6,11,13,18-20H2,1H3,(H,37,40)/t22-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vit...


US Patent US8575203 (2013)

More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM105379
PNG
(US8575203, I-125.21)
Show SMILES CN1CCC[C@@H](COc2ccnc3ccc(cc23)C#CCNC(=O)c2cccn(C(CO)c3cc(F)c(F)c(F)c3)c2=O)C1
Show InChI InChI=1S/C33H31F3N4O4/c1-39-13-3-6-22(18-39)20-44-30-10-12-37-28-9-8-21(15-25(28)30)5-2-11-38-32(42)24-7-4-14-40(33(24)43)29(19-41)23-16-26(34)31(36)27(35)17-23/h4,7-10,12,14-17,22,29,41H,3,6,11,13,18-20H2,1H3,(H,38,42)/t22-,29?/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vit...


US Patent US8575203 (2013)

More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM105294
PNG
(US8575203, I-61)
Show SMILES OC[C@H](c1cccc(F)c1)n1cccc(C(=O)NCC#Cc2ccc3ncc(N[C@H]4CC[C@@H](CC4)N4CCN(CC5CC5)CC4)nc3c2)c1=O
Show InChI InChI=1S/C39H44FN7O3/c40-30-6-1-5-29(23-30)36(26-48)47-17-3-7-33(39(47)50)38(49)41-16-2-4-27-10-15-34-35(22-27)44-37(24-42-34)43-31-11-13-32(14-12-31)46-20-18-45(19-21-46)25-28-8-9-28/h1,3,5-7,10,15,17,22-24,28,31-32,36,48H,8-9,11-14,16,18-21,25-26H2,(H,41,49)(H,43,44)/t31-,32-,36-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vit...


US Patent US8575203 (2013)

More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM105295
PNG
(US8575203, I-62)
Show SMILES Fc1ccc(Cn2nccc(C(=O)NCC#Cc3ccc4ncc(N[C@H]5CC[C@@H](CC5)N5CCN(CC6CC6)CC5)nc4c3)c2=O)cc1F
Show InChI InChI=1S/C37H40F2N8O2/c38-31-11-5-27(20-32(31)39)24-47-37(49)30(13-15-42-47)36(48)40-14-1-2-25-6-12-33-34(21-25)44-35(22-41-33)43-28-7-9-29(10-8-28)46-18-16-45(17-19-46)23-26-3-4-26/h5-6,11-13,15,20-22,26,28-29H,3-4,7-10,14,16-19,23-24H2,(H,40,48)(H,43,44)/t28-,29-
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n/an/a 2n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vit...


US Patent US8575203 (2013)

More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM105305
PNG
(US8575203, I-72)
Show SMILES CCN1CCC(CC1)Nc1cnc2ccc(cc2c1)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
Show InChI InChI=1S/C32H31F2N5O2/c1-2-38-15-11-25(12-16-38)37-26-19-24-17-22(8-10-30(24)36-20-26)5-3-13-35-31(40)27-6-4-14-39(32(27)41)21-23-7-9-28(33)29(34)18-23/h4,6-10,14,17-20,25,37H,2,11-13,15-16,21H2,1H3,(H,35,40)
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n/an/a 2n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vit...


US Patent US8575203 (2013)

More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM105309
PNG
(US8575203, I-76)
Show SMILES CCN1CCC(CC1)Nc1cnc2ccc(cc2c1)C#CCNC(=O)c1cccn([C@H](CO)c2cccc(F)c2)c1=O
Show InChI InChI=1S/C33H34FN5O3/c1-2-38-16-12-27(13-17-38)37-28-20-25-18-23(10-11-30(25)36-21-28)6-4-14-35-32(41)29-9-5-15-39(33(29)42)31(22-40)24-7-3-8-26(34)19-24/h3,5,7-11,15,18-21,27,31,37,40H,2,12-14,16-17,22H2,1H3,(H,35,41)/t31-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vit...


US Patent US8575203 (2013)

More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM105263
PNG
(US8575203, I-30)
Show SMILES C[C@H](c1ccc(F)c(F)c1)n1cccc(C(=O)NCC#Cc2ccc3ncc(NC4CCN(C)CC4)nc3c2)c1=O
Show InChI InChI=1S/C31H30F2N6O2/c1-20(22-8-9-25(32)26(33)18-22)39-14-4-6-24(31(39)41)30(40)34-13-3-5-21-7-10-27-28(17-21)37-29(19-35-27)36-23-11-15-38(2)16-12-23/h4,6-10,14,17-20,23H,11-13,15-16H2,1-2H3,(H,34,40)(H,36,37)/t20-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vit...


US Patent US8575203 (2013)

More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM105273
PNG
(US8575203, I-40)
Show SMILES Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4ncc(N[C@H]5CC[C@@H](CC5)N5CCOCC5)nc4c3)c2=O)cc1F
Show InChI InChI=1S/C33H33F2N7O3/c34-27-9-3-23(16-28(27)35)20-42-21-36-18-26(33(42)44)32(43)37-11-1-2-22-4-10-29-30(17-22)40-31(19-38-29)39-24-5-7-25(8-6-24)41-12-14-45-15-13-41/h3-4,9-10,16-19,21,24-25H,5-8,11-15,20H2,(H,37,43)(H,39,40)/t24-,25-
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n/an/a 2n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vit...


US Patent US8575203 (2013)

More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM105284
PNG
(US8575203, I-51)
Show SMILES CCN1CCC(CC1)Nc1cnc2ccc(cc2n1)C#CCNC(=O)c1cncn([C@@H](C)c2ccc(F)c(F)c2)c1=O
Show InChI InChI=1S/C31H31F2N7O2/c1-3-39-13-10-23(11-14-39)37-29-18-36-27-9-6-21(15-28(27)38-29)5-4-12-35-30(41)24-17-34-19-40(31(24)42)20(2)22-7-8-25(32)26(33)16-22/h6-9,15-20,23H,3,10-14H2,1-2H3,(H,35,41)(H,37,38)/t20-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vit...


US Patent US8575203 (2013)

More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM105358
PNG
(US8575203, I-125)
Show SMILES CN(C)CCCOc1ccnc2ccc(cc12)C#CCNC(=O)c1cccn(C(CO)c2ccc(F)c(F)c2)c1=O
Show InChI InChI=1S/C31H30F2N4O4/c1-36(2)15-5-17-41-29-12-14-34-27-11-8-21(18-24(27)29)6-3-13-35-30(39)23-7-4-16-37(31(23)40)28(20-38)22-9-10-25(32)26(33)19-22/h4,7-12,14,16,18-19,28,38H,5,13,15,17,20H2,1-2H3,(H,35,39)
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n/an/a 2n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vit...


US Patent US8575203 (2013)

More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM139846
PNG
(US8895581, III-32)
Show SMILES CC(C)n1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
Show InChI InChI=1S/C28H22F2N6O2/c1-17(2)36-16-34-25-13-33-24-8-6-18(10-20(24)26(25)36)4-3-9-32-27(37)21-12-31-15-35(28(21)38)14-19-5-7-22(29)23(30)11-19/h5-8,10-13,15-17H,9,14H2,1-2H3,(H,32,37)
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n/an/a 2n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Recombinant human PDK1 enzyme (aa 52-556) linked at its N-terminal end to His6 is isolated from baculovirus-infected insect cells. Purified enzyme ma...


US Patent US8895581 (2014)

More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM139842
PNG
(US8895581, III-28)
Show SMILES Cc1nc2cnc3ccc(cc3c2n1C1CCCOC1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
Show InChI InChI=1/C31H26F2N6O3/c1-19-37-28-15-36-27-9-7-20(12-23(27)29(28)39(19)22-5-3-11-42-17-22)4-2-10-35-30(40)24-14-34-18-38(31(24)41)16-21-6-8-25(32)26(33)13-21/h6-9,12-15,18,22H,3,5,10-11,16-17H2,1H3,(H,35,40)
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n/an/a 2n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Recombinant human PDK1 enzyme (aa 52-556) linked at its N-terminal end to His6 is isolated from baculovirus-infected insect cells. Purified enzyme ma...


US Patent US8895581 (2014)

More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM139768
PNG
(US8895581, I-4)
Show SMILES OCCCn1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
Show InChI InChI=1S/C28H22F2N6O3/c29-22-6-4-19(12-23(22)30)15-36-16-31-13-21(28(36)39)27(38)32-8-1-3-18-5-7-24-20(11-18)26-25(14-33-24)34-17-35(26)9-2-10-37/h4-7,11-14,16-17,37H,2,8-10,15H2,(H,32,38)
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n/an/a 2n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Recombinant human PDK1 enzyme (aa 52-556) linked at its N-terminal end to His6 is isolated from baculovirus-infected insect cells. Purified enzyme ma...


US Patent US8895581 (2014)

More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM139774
PNG
(US8895581, I-10)
Show SMILES CN1CCC(CC1)n1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
Show InChI InChI=1S/C31H27F2N7O2/c1-38-11-8-22(9-12-38)40-19-37-28-16-36-27-7-5-20(13-23(27)29(28)40)3-2-10-35-30(41)24-15-34-18-39(31(24)42)17-21-4-6-25(32)26(33)14-21/h4-7,13-16,18-19,22H,8-12,17H2,1H3,(H,35,41)
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n/an/a 2n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Recombinant human PDK1 enzyme (aa 52-556) linked at its N-terminal end to His6 is isolated from baculovirus-infected insect cells. Purified enzyme ma...


US Patent US8895581 (2014)

More data for this
Ligand-Target Pair
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