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Found 1189 hits Enz. Inhib. hit(s) with Target = '3-Phosphoinositide-Dependent Protein Kinase 1 (PDK1)'   
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))
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))
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))
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))
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
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))
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))
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))
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))
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))
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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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))
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))
BDBM139788
PNG
(US8895581, II-9)
Show SMILES CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn([C@H](CO)c2ccc(F)c(F)c2)c1=O
Show InChI InChI=1/C31H27F2N5O3/c1-18(2)38-19(3)36-27-16-35-26-11-8-20(14-23(26)29(27)38)6-4-12-34-30(40)22-7-5-13-37(31(22)41)28(17-39)21-9-10-24(32)25(33)15-21/h5,7-11,13-16,18,28,39H,12,17H2,1-3H3,(H,34,40)/t28-/s2
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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))
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))
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))
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))
BDBM139789
PNG
(US8895581, II-10 | US8895581, II-13 | US8895581, I...)
Show SMILES CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
Show InChI InChI=1S/C29H24F2N6O2/c1-17(2)37-18(3)35-26-14-34-25-9-7-19(11-21(25)27(26)37)5-4-10-33-28(38)22-13-32-16-36(29(22)39)15-20-6-8-23(30)24(31)12-20/h6-9,11-14,16-17H,10,15H2,1-3H3,(H,33,38)
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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))
BDBM139789
PNG
(US8895581, II-10 | US8895581, II-13 | US8895581, I...)
Show SMILES CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
Show InChI InChI=1S/C29H24F2N6O2/c1-17(2)37-18(3)35-26-14-34-25-9-7-19(11-21(25)27(26)37)5-4-10-33-28(38)22-13-32-16-36(29(22)39)15-20-6-8-23(30)24(31)12-20/h6-9,11-14,16-17H,10,15H2,1-3H3,(H,33,38)
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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))
BDBM139789
PNG
(US8895581, II-10 | US8895581, II-13 | US8895581, I...)
Show SMILES CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
Show InChI InChI=1S/C29H24F2N6O2/c1-17(2)37-18(3)35-26-14-34-25-9-7-19(11-21(25)27(26)37)5-4-10-33-28(38)22-13-32-16-36(29(22)39)15-20-6-8-23(30)24(31)12-20/h6-9,11-14,16-17H,10,15H2,1-3H3,(H,33,38)
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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))
BDBM139800
PNG
(US8895581, II-21)
Show SMILES CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn([C@@H](CO)c2ccccc2)c1=O
Show InChI InChI=1/C31H29N5O3/c1-20(2)36-21(3)34-27-18-33-26-14-13-22(17-25(26)29(27)36)9-7-15-32-30(38)24-12-8-16-35(31(24)39)28(19-37)23-10-5-4-6-11-23/h4-6,8,10-14,16-18,20,28,37H,15,19H2,1-3H3,(H,32,38)/t28-/s2
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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))
BDBM139809
PNG
(US8895581, II-30)
Show SMILES CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn([C@@H](CN)c2ccc(F)c(F)c2)c1=O
Show InChI InChI=1/C31H28F2N6O2/c1-18(2)39-19(3)37-27-17-36-26-11-8-20(14-23(26)29(27)39)6-4-12-35-30(40)22-7-5-13-38(31(22)41)28(16-34)21-9-10-24(32)25(33)15-21/h5,7-11,13-15,17-18,28H,12,16,34H2,1-3H3,(H,35,40)/t28-/s2
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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))
BDBM139816
PNG
(US8895581, III-2)
Show SMILES CC(C)N1CCC(CC1)n1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn([C@@H](C)c2ccc(F)c(F)c2)c1=O
Show InChI InChI=1/C35H34F2N6O2/c1-22(2)41-16-12-26(13-17-41)43-21-40-32-20-39-31-11-8-24(18-28(31)33(32)43)6-4-14-38-34(44)27-7-5-15-42(35(27)45)23(3)25-9-10-29(36)30(37)19-25/h5,7-11,15,18-23,26H,12-14,16-17H2,1-3H3,(H,38,44)/t23-/s2
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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))
BDBM139820
PNG
(US8895581, III-6)
Show SMILES C[C@@H](c1ccc(F)c(F)c1)n1cccc(C(=O)NCC#Cc2ccc3ncc4nc(C)n(C5CCN(C)CC5)c4c3c2)c1=O
Show InChI InChI=1/C34H32F2N6O2/c1-21(24-9-10-28(35)29(36)19-24)41-15-5-7-26(34(41)44)33(43)37-14-4-6-23-8-11-30-27(18-23)32-31(20-38-30)39-22(2)42(32)25-12-16-40(3)17-13-25/h5,7-11,15,18-21,25H,12-14,16-17H2,1-3H3,(H,37,43)/t21-/s2
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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))
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))
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))
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
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM139780
PNG
(US8895581, II-1)
Show SMILES CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cc(C)nn([C@H](C)c2ccc(F)c(F)c2)c1=O
Show InChI InChI=1/C31H28F2N6O2/c1-17(2)38-20(5)36-28-16-35-27-11-8-21(14-23(27)29(28)38)7-6-12-34-30(40)24-13-18(3)37-39(31(24)41)19(4)22-9-10-25(32)26(33)15-22/h8-11,13-17,19H,12H2,1-5H3,(H,34,40)/t19-/s2
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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))
BDBM139782
PNG
(US8895581, II-3)
Show SMILES CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
Show InChI InChI=1S/C30H25F2N5O2/c1-18(2)37-19(3)35-27-16-34-26-11-9-20(14-23(26)28(27)37)6-4-12-33-29(38)22-7-5-13-36(30(22)39)17-21-8-10-24(31)25(32)15-21/h5,7-11,13-16,18H,12,17H2,1-3H3,(H,33,38)
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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))
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))
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))
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))
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))
BDBM50401910
PNG
(CHEMBL2207217)
Show SMILES Brc1cnc(Nc2cccc(NC(=O)N3CCCC3)c2)nc1NCCCNC(=O)c1cccs1
Show InChI InChI=1S/C23H26BrN7O2S/c24-18-15-27-22(30-20(18)25-9-5-10-26-21(32)19-8-4-13-34-19)28-16-6-3-7-17(14-16)29-23(33)31-11-1-2-12-31/h3-4,6-8,13-15H,1-2,5,9-12H2,(H,26,32)(H,29,33)(H2,25,27,28,30)
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n/an/a 2.30n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [gamma33P]ATP from human TBK1 expressed in insect sf21 cells measured for 30 mins


Citation and Details
More data for this
Ligand-Target Pair
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
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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n/an/a 2.5n/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))
BDBM117036
PNG
(US8664236, A16 | US9238651, A16)
Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCO)c3ccccc3Cl)c2c1
Show InChI InChI=1S/C23H21ClN8O/c1-31-13-15(11-28-31)14-8-16-17(12-27-22(16)26-10-14)19-9-21(30-23(25)29-19)32(6-7-33)20-5-3-2-4-18(20)24/h2-5,8-13,33H,6-7H2,1H3,(H,26,27)(H2,25,29,30)
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n/an/a 2.60n/an/an/an/an/an/a



MERCK PATENT GMBH

US Patent


Assay Description
The cellular assay for the determination of the PDK1 kinase activity is carried out as a Luminex assay in the 96-well format. PC3 cells are sown at...


US Patent US9238651 (2016)

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


(Homo sapiens (human))
BDBM139811
PNG
(US8895581, II-32)
Show SMILES CC(C)N1CCC(CC1)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn([C@@H](C)c2ccc(F)c(F)c2)c1=O
Show InChI InChI=1/C36H36F2N6O2/c1-22(2)42-17-13-27(14-18-42)44-24(4)41-33-21-40-32-12-9-25(19-29(32)34(33)44)7-5-15-39-35(45)28-8-6-16-43(36(28)46)23(3)26-10-11-30(37)31(38)20-26/h6,8-12,16,19-23,27H,13-15,17-18H2,1-4H3,(H,39,45)/t23-/s2
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n/an/a 3n/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))
BDBM17048
PNG
(Indolinone based inhibitor, 4j | [(3Z)-2-oxo-3-[1-...)
Show SMILES CC\C(=C1\C(=O)Nc2ccc(NC(N)=O)cc12)c1ccc[nH]1
Show InChI InChI=1S/C16H16N4O2/c1-2-10(12-4-3-7-18-12)14-11-8-9(19-16(17)22)5-6-13(11)20-15(14)21/h3-8,18H,2H2,1H3,(H,20,21)(H3,17,19,22)/b14-10-
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n/an/a 3n/an/an/an/a7.222



Berlex Biosciences



Assay Description
The coupled assay can detect inhibitors of AKT2 activation, as well as direct inhibitors of PDK1 or AKT2. Inactive AKT2 is activated in situ by incub...


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


(Homo sapiens (human))
BDBM139841
PNG
(US8895581, III-27)
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 3n/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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