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Patent code US8895581

Compile Data Set for Download or QSAR
Found 96 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))		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 |r,wU:6.9,wD:33.36,3.2,(2.18,-2.84,;1.09,-1.75,;1.49,-.26,;-.39,-2.14,;-1.48,-1.06,;-2.97,-1.45,;-3.37,-2.94,;-2.28,-4.03,;-.79,-3.63,;-4.86,-3.34,;-5.48,-4.75,;-7.02,-4.59,;-7.34,-3.08,;-8.67,-2.31,;-8.67,-.77,;-7.34,,;-7.34,1.54,;-6,2.31,;-4.67,1.54,;-4.67,,;-6,-.77,;-6,-2.31,;-3.33,2.31,;-2,3.08,;-.67,3.85,;.67,3.08,;2,3.85,;2,5.39,;3.33,3.08,;4.67,3.85,;6,3.08,;6,1.54,;4.67,.77,;4.67,-.77,;3.33,-1.54,;3.33,-3.08,;6,-1.54,;7.34,-.77,;8.67,-1.54,;8.67,-3.08,;7.34,-3.85,;7.34,-5.39,;6,-3.08,;3.33,1.54,;2,.77,)|
Show InChI InChI=1S/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-/m0/s1
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n/an/a 1n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
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/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
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 |r,wU:32.32,wD:35.39,1.0,(2.67,-1.19,;4,-.42,;5.33,-1.19,;5.33,-2.73,;6.67,-3.5,;8,-2.73,;9.34,-3.5,;8,-1.19,;9.34,-.42,;6.67,-.42,;4,1.12,;5.33,1.89,;5.33,3.43,;4,4.2,;2.67,3.43,;1.33,4.2,;1.33,5.74,;,3.43,;-1.33,4.2,;-2.67,3.43,;-4,2.66,;-5.33,1.89,;-6.67,2.66,;-8,1.89,;-8,.35,;-9.34,-.42,;-9.34,-1.96,;-8,-2.73,;-7.68,-4.24,;-6.15,-4.4,;-5.38,-5.74,;-5.52,-2.99,;-4.04,-2.6,;-3.64,-1.11,;-2.15,-.71,;-1.06,-1.8,;-1.46,-3.29,;-2.95,-3.69,;.43,-1.4,;1.52,-2.49,;.82,.09,;-6.67,-1.96,;-6.67,-.42,;-5.33,.35,;2.67,1.89,;1.33,1.12,)|
Show InChI InChI=1S/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-/m0/s1
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n/an/a 1n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
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 |r|
Show InChI InChI=1S/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-/m1/s1
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n/an/a 1n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
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/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
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 |r|
Show InChI InChI=1S/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-/m0/s1
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n/an/a 1n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
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/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
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/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
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 |r,wU:32.32,35.39,wD:1.0,(2.67,-1.19,;4,-.42,;5.33,-1.19,;5.33,-2.73,;6.67,-3.5,;8,-2.73,;9.34,-3.5,;8,-1.19,;9.34,-.42,;6.67,-.42,;4,1.12,;5.33,1.89,;5.33,3.43,;4,4.2,;2.67,3.43,;1.33,4.2,;1.33,5.74,;,3.43,;-1.33,4.2,;-2.67,3.43,;-4,2.66,;-5.33,1.89,;-6.67,2.66,;-8,1.89,;-8,.35,;-9.34,-.42,;-9.34,-1.96,;-8,-2.73,;-7.68,-4.24,;-6.15,-4.4,;-5.38,-5.74,;-5.52,-2.99,;-4.04,-2.6,;-2.95,-3.69,;-1.46,-3.29,;-1.06,-1.8,;-2.15,-.71,;-3.64,-1.11,;.43,-1.4,;1.52,-2.49,;.82,.09,;-6.67,-1.96,;-6.67,-.42,;-5.33,.35,;2.67,1.89,;1.33,1.12,)|
Show InChI InChI=1S/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+/m0/s1
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n/an/a 1n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
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 |r|
Show InChI InChI=1S/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-/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2HM5742
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/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
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 |r|
Show InChI InChI=1S/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-/m0/s1
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n/an/a 2n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
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/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
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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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)


BindingDB Entry DOI: 10.7270/Q2HM5742
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/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
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/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
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/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
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/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
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 |r|
Show InChI InChI=1S/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-/m0/s1
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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)


BindingDB Entry DOI: 10.7270/Q2HM5742
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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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)


BindingDB Entry DOI: 10.7270/Q2HM5742
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=1S/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/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
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 |r|
Show InChI InChI=1S/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-/m0/s1
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n/an/a 2n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
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 |r|
Show InChI InChI=1S/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-/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2HM5742
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 |r|
Show InChI InChI=1S/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-/m0/s1
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n/an/a 2n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
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 |r,wU:6.9,3.2,wD:33.36,(2.18,-2.84,;1.09,-1.75,;1.49,-.26,;-.39,-2.14,;-.79,-3.63,;-2.28,-4.03,;-3.37,-2.94,;-2.97,-1.45,;-1.48,-1.06,;-4.86,-3.34,;-5.48,-4.75,;-7.02,-4.59,;-7.34,-3.08,;-8.67,-2.31,;-8.67,-.77,;-7.34,,;-7.34,1.54,;-6,2.31,;-4.67,1.54,;-4.67,,;-6,-.77,;-6,-2.31,;-3.33,2.31,;-2,3.08,;-.67,3.85,;.67,3.08,;2,3.85,;2,5.39,;3.33,3.08,;4.67,3.85,;6,3.08,;6,1.54,;4.67,.77,;4.67,-.77,;3.33,-1.54,;3.33,-3.08,;6,-1.54,;7.34,-.77,;8.67,-1.54,;8.67,-3.08,;7.34,-3.85,;7.34,-5.39,;6,-3.08,;3.33,1.54,;2,.77,)|
Show InChI InChI=1S/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-/m0/s1
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n/an/a 3n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
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 |r|
Show InChI InChI=1S/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-/m0/s1
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n/an/a 3n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))		BDBM139838
PNG
(US8895581, III-24)
Show SMILES CN(C)[C@H]1CC[C@@H](CC1)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn([C@@H](CO)c2cccc(F)c2)c1=O |r,wU:6.9,wD:34.37,3.2,(2.18,-2.49,;1.09,-1.4,;1.49,.09,;-.39,-1.8,;-1.48,-.71,;-2.97,-1.11,;-3.37,-2.6,;-2.28,-3.69,;-.79,-3.29,;-4.86,-2.99,;-5.48,-4.4,;-4.71,-5.74,;-7.02,-4.24,;-7.34,-2.73,;-8.67,-1.96,;-8.67,-.42,;-7.34,.35,;-7.34,1.89,;-6,2.66,;-4.67,1.89,;-4.67,.35,;-6,-.42,;-6,-1.96,;-3.33,2.66,;-2,3.43,;-.67,4.2,;.67,3.43,;2,4.2,;2,5.74,;3.33,3.43,;4.67,4.2,;6,3.43,;6,1.89,;4.67,1.12,;4.67,-.42,;3.33,-1.19,;3.33,-2.73,;6,-1.19,;7.34,-.42,;8.67,-1.19,;8.67,-2.73,;7.34,-3.5,;7.34,-5.04,;6,-2.73,;3.33,1.89,;2,1.12,)|
Show InChI InChI=1S/C36H37FN6O3/c1-23-40-32-21-39-31-16-11-24(19-30(31)34(32)43(23)28-14-12-27(13-15-28)41(2)3)7-5-17-38-35(45)29-10-6-18-42(36(29)46)33(22-44)25-8-4-9-26(37)20-25/h4,6,8-11,16,18-21,27-28,33,44H,12-15,17,22H2,1-3H3,(H,38,45)/t27-,28-,33-/m0/s1
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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)


BindingDB Entry DOI: 10.7270/Q2HM5742
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))		BDBM139823
PNG
(US8895581, III-9)
Show SMILES Fc1ccc(Cn2cccc(C(=O)NCC#Cc3ccc4ncc5nc[nH]c5c4c3)c2=O)cc1F
Show InChI InChI=1S/C26H17F2N5O2/c27-20-7-5-17(12-21(20)28)14-33-10-2-4-18(26(33)35)25(34)29-9-1-3-16-6-8-22-19(11-16)24-23(13-30-22)31-15-32-24/h2,4-8,10-13,15H,9,14H2,(H,29,34)(H,31,32)
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n/an/a 4n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))		BDBM139784
PNG
(US8895581, II-5)
Show SMILES CCOc1cc(C(=O)NCC#Cc2ccc3ncc4nc(C)n(C(C)C)c4c3c2)c(=O)n(Cc2ccc(F)c(F)c2)n1
Show InChI InChI=1S/C31H28F2N6O3/c1-5-42-28-15-23(31(41)38(37-28)17-21-8-10-24(32)25(33)14-21)30(40)34-12-6-7-20-9-11-26-22(13-20)29-27(16-35-26)36-19(4)39(29)18(2)3/h8-11,13-16,18H,5,12,17H2,1-4H3,(H,34,40)
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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)


BindingDB Entry DOI: 10.7270/Q2HM5742
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))		BDBM139839
PNG
(US8895581, III-25)
Show SMILES CN(C)[C@H]1CC[C@H](CC1)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn([C@@H](CO)c2cccc(F)c2)c1=O |r,wU:6.9,3.2,wD:34.37,(2.18,-2.49,;1.09,-1.4,;1.49,.09,;-.39,-1.8,;-.79,-3.29,;-2.28,-3.69,;-3.37,-2.6,;-2.97,-1.11,;-1.48,-.71,;-4.86,-2.99,;-5.48,-4.4,;-4.71,-5.74,;-7.02,-4.24,;-7.34,-2.73,;-8.67,-1.96,;-8.67,-.42,;-7.34,.35,;-7.34,1.89,;-6,2.66,;-4.67,1.89,;-4.67,.35,;-6,-.42,;-6,-1.96,;-3.33,2.66,;-2,3.43,;-.67,4.2,;.67,3.43,;2,4.2,;2,5.74,;3.33,3.43,;4.67,4.2,;6,3.43,;6,1.89,;4.67,1.12,;4.67,-.42,;3.33,-1.19,;3.33,-2.73,;6,-1.19,;7.34,-.42,;8.67,-1.19,;8.67,-2.73,;7.34,-3.5,;7.34,-5.04,;6,-2.73,;3.33,1.89,;2,1.12,)|
Show InChI InChI=1S/C36H37FN6O3/c1-23-40-32-21-39-31-16-11-24(19-30(31)34(32)43(23)28-14-12-27(13-15-28)41(2)3)7-5-17-38-35(45)29-10-6-18-42(36(29)46)33(22-44)25-8-4-9-26(37)20-25/h4,6,8-11,16,18-21,27-28,33,44H,12-15,17,22H2,1-3H3,(H,38,45)/t27-,28+,33-/m0/s1
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n/an/a 4n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))		BDBM139767
PNG
(US8895581, I-3)
Show SMILES Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4ncc5ncn(C6CCC6)c5c4c3)c2=O)cc1F
Show InChI InChI=1S/C29H22F2N6O2/c30-23-8-6-19(12-24(23)31)15-36-16-32-13-22(29(36)39)28(38)33-10-2-3-18-7-9-25-21(11-18)27-26(14-34-25)35-17-37(27)20-4-1-5-20/h6-9,11-14,16-17,20H,1,4-5,10,15H2,(H,33,38)
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n/an/a 4n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))		BDBM139766
PNG
(US8895581, I-2)
Show SMILES OCCn1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
Show InChI InChI=1S/C27H20F2N6O3/c28-21-5-3-18(11-22(21)29)14-35-15-30-12-20(27(35)38)26(37)31-7-1-2-17-4-6-23-19(10-17)25-24(13-32-23)33-16-34(25)8-9-36/h3-6,10-13,15-16,36H,7-9,14H2,(H,31,37)
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n/an/a 4n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))		BDBM139850
PNG
(US8895581, 316 | US8895581, IV-1)
Show SMILES CCOc1cc(C(=O)NCC#Cc2ccc3ncc4ncn(C(C)C)c4c3c2)c(=O)n(Cc2ccc(F)c(F)c2)n1
Show InChI InChI=1S/C30H26F2N6O3/c1-4-41-27-14-22(30(40)38(36-27)16-20-7-9-23(31)24(32)13-20)29(39)33-11-5-6-19-8-10-25-21(12-19)28-26(15-34-25)35-17-37(28)18(2)3/h7-10,12-15,17-18H,4,11,16H2,1-3H3,(H,33,39)
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n/an/a 5n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))		BDBM139791
PNG
(US8895581, II-12)
Show SMILES CCc1c(C(=O)NCC#Cc2ccc3ncc4nc(C)n(C(C)C)c4c3c2)c(=O)n(Cc2ccc(F)c(F)c2)n1C
Show InChI InChI=1S/C31H30F2N6O2/c1-6-27-28(31(41)38(37(27)5)17-21-9-11-23(32)24(33)15-21)30(40)34-13-7-8-20-10-12-25-22(14-20)29-26(16-35-25)36-19(4)39(29)18(2)3/h9-12,14-16,18H,6,13,17H2,1-5H3,(H,34,40)
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n/an/a 5n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))		BDBM139835
PNG
(US8895581, III-21)
Show SMILES Cc1nc2cnc3ccc(cc3c2n1C1CCOCC1)C#CCNC(=O)c1c(C)n(C)n(Cc2ccc(F)c(F)c2)c1=O
Show InChI InChI=1S/C32H30F2N6O3/c1-19-29(32(42)39(38(19)3)18-22-6-8-25(33)26(34)16-22)31(41)35-12-4-5-21-7-9-27-24(15-21)30-28(17-36-27)37-20(2)40(30)23-10-13-43-14-11-23/h6-9,15-17,23H,10-14,18H2,1-3H3,(H,35,41)
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n/an/a 5n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))		BDBM139783
PNG
(US8895581, II-4)
Show SMILES CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cc(Cl)nn(Cc2ccc(F)c(F)c2)c1=O
Show InChI InChI=1S/C29H23ClF2N6O2/c1-16(2)38-17(3)35-25-14-34-24-9-7-18(11-20(24)27(25)38)5-4-10-33-28(39)21-13-26(30)36-37(29(21)40)15-19-6-8-22(31)23(32)12-19/h6-9,11-14,16H,10,15H2,1-3H3,(H,33,39)
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n/an/a 5n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))		BDBM139794
PNG
(US8895581, II-15)
Show SMILES CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1c(C)n(C)n(C(C)c2ccc(F)c(F)c2)c1=O
Show InChI InChI=1S/C31H30F2N6O2/c1-17(2)38-20(5)36-27-16-35-26-12-9-21(14-23(26)29(27)38)8-7-13-34-30(40)28-19(4)37(6)39(31(28)41)18(3)22-10-11-24(32)25(33)15-22/h9-12,14-18H,13H2,1-6H3,(H,34,40)
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n/an/a 5n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))		BDBM139795
PNG
(US8895581, II-16)
Show SMILES CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1c(C)n(C)n(Cc2ccc(F)c(F)c2)c1=O
Show InChI InChI=1S/C30H28F2N6O2/c1-17(2)38-19(4)35-26-15-34-25-11-9-20(13-22(25)28(26)38)7-6-12-33-29(39)27-18(3)36(5)37(30(27)40)16-21-8-10-23(31)24(32)14-21/h8-11,13-15,17H,12,16H2,1-5H3,(H,33,39)
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n/an/a 5n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))		BDBM139844
PNG
(US8895581, III-30)
Show SMILES Cn1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
Show InChI InChI=1S/C26H18F2N6O2/c1-33-15-32-23-12-31-22-7-5-16(9-18(22)24(23)33)3-2-8-30-25(35)19-11-29-14-34(26(19)36)13-17-4-6-20(27)21(28)10-17/h4-7,9-12,14-15H,8,13H2,1H3,(H,30,35)
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n/an/a 5n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))		BDBM139813
PNG
(US8895581, II-34)
Show SMILES CN1CCC(CC1)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
Show InChI InChI=1S/C33H30F2N6O2/c1-21-38-30-19-37-29-10-8-22(17-26(29)31(30)41(21)24-11-15-39(2)16-12-24)5-3-13-36-32(42)25-6-4-14-40(33(25)43)20-23-7-9-27(34)28(35)18-23/h4,6-10,14,17-19,24H,11-13,15-16,20H2,1-2H3,(H,36,42)
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n/an/a 6n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))		BDBM139868
PNG
(US8895581, V-9)
Show SMILES CN(C)CCCc1nc2cnc3ccc(cc3c2n1C)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
Show InChI InChI=1S/C31H29F2N7O2/c1-38(2)13-5-7-28-37-27-17-36-26-11-9-20(14-22(26)29(27)39(28)3)6-4-12-35-30(41)23-16-34-19-40(31(23)42)18-21-8-10-24(32)25(33)15-21/h8-11,14-17,19H,5,7,12-13,18H2,1-3H3,(H,35,41)
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n/an/a 6n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))		BDBM139836
PNG
(US8895581, III-22)
Show SMILES OC[C@@H](c1cccc(F)c1)n1cccc(C(=O)NCC#Cc2ccc3ncc4ncn(C5CCOC5)c4c3c2)c1=O |r|
Show InChI InChI=1S/C31H26FN5O4/c32-22-6-1-5-21(15-22)28(17-38)36-12-3-7-24(31(36)40)30(39)33-11-2-4-20-8-9-26-25(14-20)29-27(16-34-26)35-19-37(29)23-10-13-41-18-23/h1,3,5-9,12,14-16,19,23,28,38H,10-11,13,17-18H2,(H,33,39)/t23?,28-/m0/s1
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n/an/a 7n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))		BDBM139821
PNG
(US8895581, III-7)
Show SMILES Cc1nc2cnc3ccc(cc3c2n1CCc1ccccc1)C#CCNC(=O)c1cc(Cl)nn(Cc2ccc(F)c(F)c2)c1=O
Show InChI InChI=1S/C34H25ClF2N6O2/c1-21-40-30-19-39-29-12-10-23(16-25(29)32(30)42(21)15-13-22-6-3-2-4-7-22)8-5-14-38-33(44)26-18-31(35)41-43(34(26)45)20-24-9-11-27(36)28(37)17-24/h2-4,6-7,9-12,16-19H,13-15,20H2,1H3,(H,38,44)
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n/an/a 7n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))		BDBM139814
PNG
(US8895581, II-35)
Show SMILES CC(C)N1CCC(CC1)n1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
Show InChI InChI=1S/C34H32F2N6O2/c1-22(2)40-15-11-25(12-16-40)42-21-39-31-19-38-30-10-8-23(17-27(30)32(31)42)5-3-13-37-33(43)26-6-4-14-41(34(26)44)20-24-7-9-28(35)29(36)18-24/h4,6-10,14,17-19,21-22,25H,11-13,15-16,20H2,1-2H3,(H,37,43)
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n/an/a 7n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))		BDBM139862
PNG
(US8895581, V-3)
Show SMILES CCc1nc2cnc3ccc(cc3c2n1C)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
Show InChI InChI=1S/C28H22F2N6O2/c1-3-25-34-24-14-33-23-9-7-17(11-19(23)26(24)35(25)2)5-4-10-32-27(37)20-13-31-16-36(28(20)38)15-18-6-8-21(29)22(30)12-18/h6-9,11-14,16H,3,10,15H2,1-2H3,(H,32,37)
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n/an/a 8n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))		BDBM139781
PNG
(US8895581, II-2)
Show SMILES CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn(Cc2ccccc2)c1=O
Show InChI InChI=1S/C30H27N5O2/c1-20(2)35-21(3)33-27-18-32-26-14-13-22(17-25(26)28(27)35)11-7-15-31-29(36)24-12-8-16-34(30(24)37)19-23-9-5-4-6-10-23/h4-6,8-10,12-14,16-18,20H,15,19H2,1-3H3,(H,31,36)
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n/an/a 8n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))		BDBM139810
PNG
(US8895581, II-31)
Show SMILES CC(C)N1CCC(CC1)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
Show InChI InChI=1S/C35H34F2N6O2/c1-22(2)41-16-12-26(13-17-41)43-23(3)40-32-20-39-31-11-9-24(18-28(31)33(32)43)6-4-14-38-34(44)27-7-5-15-42(35(27)45)21-25-8-10-29(36)30(37)19-25/h5,7-11,15,18-20,22,26H,12-14,16-17,21H2,1-3H3,(H,38,44)
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n/an/a 8n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))		BDBM139778
PNG
(US8895581, I-14)
Show SMILES Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4ncc5ncn(C6CCNCC6)c5c4c3)c2=O)cc1F
Show InChI InChI=1S/C30H25F2N7O2/c31-24-5-3-20(13-25(24)32)16-38-17-34-14-23(30(38)41)29(40)35-9-1-2-19-4-6-26-22(12-19)28-27(15-36-26)37-18-39(28)21-7-10-33-11-8-21/h3-6,12-15,17-18,21,33H,7-11,16H2,(H,35,40)
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n/an/a 8n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))		BDBM139848
PNG
(US8895581, III-34)
Show SMILES Cc1nc2cnc3ccc(cc3c2n1C)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
Show InChI InChI=1S/C27H20F2N6O2/c1-16-33-24-13-32-23-8-6-17(10-19(23)25(24)34(16)2)4-3-9-31-26(36)20-12-30-15-35(27(20)37)14-18-5-7-21(28)22(29)11-18/h5-8,10-13,15H,9,14H2,1-2H3,(H,31,36)
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n/an/a 8n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))		BDBM139776
PNG
(US8895581, I-12)
Show SMILES Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4ncc5ncn([C@H]6CCCNC6)c5c4c3)c2=O)cc1F |r|
Show InChI InChI=1S/C30H25F2N7O2/c31-24-7-5-20(12-25(24)32)16-38-17-34-14-23(30(38)41)29(40)35-10-1-3-19-6-8-26-22(11-19)28-27(15-36-26)37-18-39(28)21-4-2-9-33-13-21/h5-8,11-12,14-15,17-18,21,33H,2,4,9-10,13,16H2,(H,35,40)/t21-/m0/s1
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n/an/a 9n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))		BDBM139773
PNG
(US8895581, I-9)
Show SMILES CN1CCC[C@H](C1)n1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O |r|
Show InChI InChI=1S/C31H27F2N7O2/c1-38-11-3-5-22(17-38)40-19-37-28-15-36-27-9-7-20(12-23(27)29(28)40)4-2-10-35-30(41)24-14-34-18-39(31(24)42)16-21-6-8-25(32)26(33)13-21/h6-9,12-15,18-19,22H,3,5,10-11,16-17H2,1H3,(H,35,41)/t22-/m1/s1
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n/an/a 10n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))		BDBM139775
PNG
(US8895581, I-11)
Show SMILES CC(C)N1CCC(CC1)n1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
Show InChI InChI=1S/C33H31F2N7O2/c1-21(2)40-12-9-24(10-13-40)42-20-39-30-17-38-29-8-6-22(14-25(29)31(30)42)4-3-11-37-32(43)26-16-36-19-41(33(26)44)18-23-5-7-27(34)28(35)15-23/h5-8,14-17,19-21,24H,9-13,18H2,1-2H3,(H,37,43)
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n/an/a 11n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))		BDBM139830
PNG
(US8895581, III-16)
Show SMILES CN1CC[C@@H](C1)n1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1cc(Cl)nn(Cc2ccc(F)c(F)c2)c1=O |r|
Show InChI InChI=1S/C30H24ClF2N7O2/c1-38-10-8-20(16-38)39-17-36-26-14-35-25-7-5-18(11-21(25)28(26)39)3-2-9-34-29(41)22-13-27(31)37-40(30(22)42)15-19-4-6-23(32)24(33)12-19/h4-7,11-14,17,20H,8-10,15-16H2,1H3,(H,34,41)/t20-/m0/s1
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n/an/a 11n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))		BDBM139812
PNG
(US8895581, II-33)
Show SMILES CCN1CCC(CC1)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cc(C)nn(Cc2ccc(F)c(F)c2)c1=O
Show InChI InChI=1S/C34H33F2N7O2/c1-4-41-14-11-25(12-15-41)43-22(3)39-31-19-38-30-10-8-23(17-26(30)32(31)43)6-5-13-37-33(44)27-16-21(2)40-42(34(27)45)20-24-7-9-28(35)29(36)18-24/h7-10,16-19,25H,4,11-15,20H2,1-3H3,(H,37,44)
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n/an/a 13n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))		BDBM139859
PNG
(US8895581, 329 | US8895581, V-11)
Show SMILES Cn1c(CCO)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
Show InChI InChI=1S/C28H22F2N6O3/c1-35-25(8-10-37)34-24-14-33-23-7-5-17(11-19(23)26(24)35)3-2-9-32-27(38)20-13-31-16-36(28(20)39)15-18-4-6-21(29)22(30)12-18/h4-7,11-14,16,37H,8-10,15H2,1H3,(H,32,38)
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n/an/a 14n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))		BDBM139797
PNG
(US8895581, II-18)
Show SMILES CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn(CC2CCCCC2)c1=O
Show InChI InChI=1S/C30H33N5O2/c1-20(2)35-21(3)33-27-18-32-26-14-13-22(17-25(26)28(27)35)11-7-15-31-29(36)24-12-8-16-34(30(24)37)19-23-9-5-4-6-10-23/h8,12-14,16-18,20,23H,4-6,9-10,15,19H2,1-3H3,(H,31,36)
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n/an/a 14n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))		BDBM139802
PNG
(US8895581, II-23)
Show SMILES CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn(CC2C[C@@H]3CC[C@H]2C3)c1=O |r,THB:28:29:32.33:35|
Show InChI InChI=1S/C31H33N5O2/c1-19(2)36-20(3)34-28-17-33-27-11-9-21(16-26(27)29(28)36)6-4-12-32-30(37)25-7-5-13-35(31(25)38)18-24-15-22-8-10-23(24)14-22/h5,7,9,11,13,16-17,19,22-24H,8,10,12,14-15,18H2,1-3H3,(H,32,37)/t22-,23+,24?/m1/s1
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n/an/a 15n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))		BDBM139817
PNG
(US8895581, III-3)
Show SMILES CN(C)[C@H]1CC[C@H](CC1)n1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1cc(C)nn(Cc2ccc(F)c(F)c2)c1=O |r,wU:6.9,3.2,(1.52,-3.16,;.43,-2.07,;.82,-.58,;-1.06,-2.47,;-1.46,-3.95,;-2.95,-4.35,;-4.04,-3.26,;-3.64,-1.78,;-2.15,-1.38,;-5.52,-3.66,;-6.15,-5.07,;-7.68,-4.91,;-8,-3.4,;-9.34,-2.63,;-9.34,-1.09,;-8,-.32,;-8,1.22,;-6.67,1.99,;-5.33,1.22,;-5.33,-.32,;-6.67,-1.09,;-6.67,-2.63,;-4,1.99,;-2.67,2.76,;-1.33,3.53,;,2.76,;1.33,3.53,;1.33,5.07,;2.67,2.76,;4,3.53,;5.33,2.76,;6.67,3.53,;5.33,1.22,;4,.45,;4,-1.09,;5.33,-1.86,;5.33,-3.4,;6.67,-4.17,;8,-3.4,;9.34,-4.17,;8,-1.86,;9.34,-1.09,;6.67,-1.09,;2.67,1.22,;1.33,.45,)|
Show InChI InChI=1S/C34H33F2N7O2/c1-21-15-27(34(45)43(40-21)19-23-6-12-28(35)29(36)17-23)33(44)37-14-4-5-22-7-13-30-26(16-22)32-31(18-38-30)39-20-42(32)25-10-8-24(9-11-25)41(2)3/h6-7,12-13,15-18,20,24-25H,8-11,14,19H2,1-3H3,(H,37,44)/t24-,25+
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n/an/a 15n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))		BDBM139777
PNG
(US8895581, I-13)
Show SMILES Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4ncc5ncn(C6CCNC6)c5c4c3)c2=O)cc1F
Show InChI InChI=1S/C29H23F2N7O2/c30-23-5-3-19(11-24(23)31)15-37-16-33-13-22(29(37)40)28(39)34-8-1-2-18-4-6-25-21(10-18)27-26(14-35-25)36-17-38(27)20-7-9-32-12-20/h3-6,10-11,13-14,16-17,20,32H,7-9,12,15H2,(H,34,39)
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n/an/a 16n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))		BDBM139772
PNG
(US8895581, I-8)
Show SMILES CN(C)CCCn1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
Show InChI InChI=1S/C30H27F2N7O2/c1-37(2)11-4-12-38-19-36-27-16-35-26-9-7-20(13-22(26)28(27)38)5-3-10-34-29(40)23-15-33-18-39(30(23)41)17-21-6-8-24(31)25(32)14-21/h6-9,13-16,18-19H,4,10-12,17H2,1-2H3,(H,34,40)
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n/an/a 16n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))		BDBM139801
PNG
(US8895581, II-22)
Show SMILES CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn([C@@H](CN)c2ccccc2)c1=O |r|
Show InChI InChI=1S/C31H30N6O2/c1-20(2)37-21(3)35-27-19-34-26-14-13-22(17-25(26)29(27)37)9-7-15-33-30(38)24-12-8-16-36(31(24)39)28(18-32)23-10-5-4-6-11-23/h4-6,8,10-14,16-17,19-20,28H,15,18,32H2,1-3H3,(H,33,38)/t28-/m0/s1
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n/an/a 16n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))		BDBM139825
PNG
(US8895581, III-11)
Show SMILES OCCn1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
Show InChI InChI=1S/C28H21F2N5O3/c29-22-7-5-19(14-23(22)30)16-34-10-2-4-20(28(34)38)27(37)31-9-1-3-18-6-8-24-21(13-18)26-25(15-32-24)33-17-35(26)11-12-36/h2,4-8,10,13-15,17,36H,9,11-12,16H2,(H,31,37)
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n/an/a 18n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))		BDBM139863
PNG
(US8895581, V-4)
Show SMILES COc1nc2cnc3ccc(cc3c2n1C)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
Show InChI InChI=1S/C27H20F2N6O3/c1-34-24-18-10-16(6-8-22(18)32-13-23(24)33-27(34)38-2)4-3-9-31-25(36)19-12-30-15-35(26(19)37)14-17-5-7-20(28)21(29)11-17/h5-8,10-13,15H,9,14H2,1-2H3,(H,31,36)
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n/an/a 18n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))		BDBM139771
PNG
(US8895581, I-7)
Show SMILES CN1CC[C@@H](C1)n1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O |r|
Show InChI InChI=1S/C30H25F2N7O2/c1-37-10-8-21(16-37)39-18-36-27-14-35-26-7-5-19(11-22(26)28(27)39)3-2-9-34-29(40)23-13-33-17-38(30(23)41)15-20-4-6-24(31)25(32)12-20/h4-7,11-14,17-18,21H,8-10,15-16H2,1H3,(H,34,40)/t21-/m0/s1
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n/an/a 18n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))		BDBM139815
PNG
(US8895581, III-1)
Show SMILES OC[C@H](c1ccccc1)n1cccc(C(=O)NCC#Cc2ccc3ncc4ncn(C5CCNC5)c4c3c2)c1=O |r|
Show InChI InChI=1S/C31H28N6O3/c38-19-28(22-7-2-1-3-8-22)36-15-5-9-24(31(36)40)30(39)33-13-4-6-21-10-11-26-25(16-21)29-27(18-34-26)35-20-37(29)23-12-14-32-17-23/h1-3,5,7-11,15-16,18,20,23,28,32,38H,12-14,17,19H2,(H,33,39)/t23?,28-/m1/s1
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n/an/a 18n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))		BDBM139857
PNG
(US8895581, 327 | US8895581, V-6)
Show SMILES Cn1c(CF)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
Show InChI InChI=1S/C27H19F3N6O2/c1-35-24(11-28)34-23-13-33-22-7-5-16(9-18(22)25(23)35)3-2-8-32-26(37)19-12-31-15-36(27(19)38)14-17-4-6-20(29)21(30)10-17/h4-7,9-10,12-13,15H,8,11,14H2,1H3,(H,32,37)
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n/an/a 19n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))		BDBM139829
PNG
(US8895581, III-15)
Show SMILES CN1CC[C@H](C1)n1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O |r|
Show InChI InChI=1S/C31H26F2N6O2/c1-37-13-10-22(18-37)39-19-36-28-16-35-27-9-7-20(14-24(27)29(28)39)4-2-11-34-30(40)23-5-3-12-38(31(23)41)17-21-6-8-25(32)26(33)15-21/h3,5-9,12,14-16,19,22H,10-11,13,17-18H2,1H3,(H,34,40)/t22-/m1/s1
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n/an/a 20n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))		BDBM139818
PNG
(US8895581, III-4)
Show SMILES CC(C)N1CCC(CC1)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1ccnn(Cc2ccc(F)c(F)c2)c1=O
Show InChI InChI=1S/C34H33F2N7O2/c1-21(2)41-15-11-25(12-16-41)43-22(3)40-31-19-38-30-9-7-23(17-27(30)32(31)43)5-4-13-37-33(44)26-10-14-39-42(34(26)45)20-24-6-8-28(35)29(36)18-24/h6-10,14,17-19,21,25H,11-13,15-16,20H2,1-3H3,(H,37,44)
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n/an/a 21n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))		BDBM139869
PNG
(US8895581, V-10)
Show SMILES CN(C)CCc1nc2cnc3ccc(cc3c2n1C)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
Show InChI InChI=1S/C30H27F2N7O2/c1-37(2)12-10-27-36-26-16-35-25-9-7-19(13-21(25)28(26)38(27)3)5-4-11-34-29(40)22-15-33-18-39(30(22)41)17-20-6-8-23(31)24(32)14-20/h6-9,13-16,18H,10-12,17H2,1-3H3,(H,34,40)
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n/an/a 22n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))		BDBM139856
PNG
(US8895581, 326 | US8895581, V-5)
Show SMILES COCCc1nc2cnc3ccc(cc3c2n1C)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
Show InChI InChI=1S/C29H24F2N6O3/c1-36-26(9-11-40-2)35-25-15-34-24-8-6-18(12-20(24)27(25)36)4-3-10-33-28(38)21-14-32-17-37(29(21)39)16-19-5-7-22(30)23(31)13-19/h5-8,12-15,17H,9-11,16H2,1-2H3,(H,33,38)
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n/an/a 24n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))		BDBM139770
PNG
(US8895581, I-6)
Show SMILES CN1CC[C@H](C1)n1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O |r|
Show InChI InChI=1S/C30H25F2N7O2/c1-37-10-8-21(16-37)39-18-36-27-14-35-26-7-5-19(11-22(26)28(27)39)3-2-9-34-29(40)23-13-33-17-38(30(23)41)15-20-4-6-24(31)25(32)12-20/h4-7,11-14,17-18,21H,8-10,15-16H2,1H3,(H,34,40)/t21-/m1/s1
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n/an/a 26n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))		BDBM139805
PNG
(US8895581, II-26)
Show SMILES CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn(CC2CCCC2)c1=O
Show InChI InChI=1S/C29H31N5O2/c1-19(2)34-20(3)32-26-17-31-25-13-12-21(16-24(25)27(26)34)10-6-14-30-28(35)23-11-7-15-33(29(23)36)18-22-8-4-5-9-22/h7,11-13,15-17,19,22H,4-5,8-9,14,18H2,1-3H3,(H,30,35)
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n/an/a 27n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))		BDBM139779
PNG
(US8895581, I-15)
Show SMILES Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4ncc5ncn([C@H]6CCNC6)c5c4c3)c2=O)cc1F |r|
Show InChI InChI=1S/C29H23F2N7O2/c30-23-5-3-19(11-24(23)31)15-37-16-33-13-22(29(37)40)28(39)34-8-1-2-18-4-6-25-21(10-18)27-26(14-35-25)36-17-38(27)20-7-9-32-12-20/h3-6,10-11,13-14,16-17,20,32H,7-9,12,15H2,(H,34,39)/t20-/m0/s1
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n/an/a 28n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))		BDBM139834
PNG
(US8895581, III-20)
Show SMILES CCN1CCC(CC1)n1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1c(C)n(C)n(Cc2ccc(F)c(F)c2)c1=O
Show InChI InChI=1S/C33H33F2N7O2/c1-4-40-14-11-24(12-15-40)41-20-38-29-18-37-28-10-8-22(16-25(28)31(29)41)6-5-13-36-32(43)30-21(2)39(3)42(33(30)44)19-23-7-9-26(34)27(35)17-23/h7-10,16-18,20,24H,4,11-15,19H2,1-3H3,(H,36,43)
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n/an/a 32n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))		BDBM139855
PNG
(US8895581, 325 | US8895581, V-1)
Show SMILES CCOc1nc2cnc3ccc(cc3c2n1C)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
Show InChI InChI=1S/C28H22F2N6O3/c1-3-39-28-34-24-14-33-23-9-7-17(11-19(23)25(24)35(28)2)5-4-10-32-26(37)20-13-31-16-36(27(20)38)15-18-6-8-21(29)22(30)12-18/h6-9,11-14,16H,3,10,15H2,1-2H3,(H,32,37)
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n/an/a 33n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))		BDBM139793
PNG
(US8895581, II-14)
Show SMILES CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn([C@@H](C)C2CCCCC2)c1=O |r|
Show InChI InChI=1S/C31H35N5O2/c1-20(2)36-22(4)34-28-19-33-27-15-14-23(18-26(27)29(28)36)10-8-16-32-30(37)25-13-9-17-35(31(25)38)21(3)24-11-6-5-7-12-24/h9,13-15,17-21,24H,5-7,11-12,16H2,1-4H3,(H,32,37)/t21-/m0/s1
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n/an/a 34n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))		BDBM139866
PNG
(US8895581, V-7)
Show SMILES COCc1nc2cnc3ccc(cc3c2n1C)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
Show InChI InChI=1S/C28H22F2N6O3/c1-35-25(15-39-2)34-24-13-33-23-8-6-17(10-19(23)26(24)35)4-3-9-32-27(37)20-12-31-16-36(28(20)38)14-18-5-7-21(29)22(30)11-18/h5-8,10-13,16H,9,14-15H2,1-2H3,(H,32,37)
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n/an/a 41n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))		BDBM139833
PNG
(US8895581, III-19)
Show SMILES CC(C)N1CCC(CC1)n1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1c(C)n(C)n(Cc2ccc(F)c(F)c2)c1=O
Show InChI InChI=1S/C34H35F2N7O2/c1-21(2)41-14-11-25(12-15-41)42-20-39-30-18-38-29-10-8-23(16-26(29)32(30)42)6-5-13-37-33(44)31-22(3)40(4)43(34(31)45)19-24-7-9-27(35)28(36)17-24/h7-10,16-18,20-21,25H,11-15,19H2,1-4H3,(H,37,44)
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n/an/a 45n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))		BDBM139769
PNG
(US8895581, I-5)
Show SMILES CN(C)CCn1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
Show InChI InChI=1S/C29H25F2N7O2/c1-36(2)10-11-37-18-35-26-15-34-25-8-6-19(12-21(25)27(26)37)4-3-9-33-28(39)22-14-32-17-38(29(22)40)16-20-5-7-23(30)24(31)13-20/h5-8,12-15,17-18H,9-11,16H2,1-2H3,(H,33,39)
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n/an/a 50n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))		BDBM139827
PNG
(US8895581, III-13)
Show SMILES CN(C)CCn1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
Show InChI InChI=1S/C30H27F2N7O2/c1-19-36-27-16-35-26-9-7-20(13-22(26)28(27)39(19)12-11-37(2)3)5-4-10-34-29(40)23-15-33-18-38(30(23)41)17-21-6-8-24(31)25(32)14-21/h6-9,13-16,18H,10-12,17H2,1-3H3,(H,34,40)
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n/an/a 53n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))		BDBM139786
PNG
(US8895581, II-7)
Show SMILES CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn([C@H](C)c2ccc(F)c(F)c2)c1=O |r|
Show InChI InChI=1S/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-/m1/s1
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n/an/a 55n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))		BDBM139826
PNG
(US8895581, III-12)
Show SMILES OCCn1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn(Cc2ccccc2)c1=O
Show InChI InChI=1S/C28H23N5O3/c34-15-14-33-19-31-25-17-30-24-11-10-20(16-23(24)26(25)33)8-4-12-29-27(35)22-9-5-13-32(28(22)36)18-21-6-2-1-3-7-21/h1-3,5-7,9-11,13,16-17,19,34H,12,14-15,18H2,(H,29,35)
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n/an/a 68n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))		BDBM139790
PNG
(US8895581, II-11)
Show SMILES CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cc(C)nn([C@@H](C)c2ccc(F)c(F)c2)c1=O |r|
Show InChI InChI=1S/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-/m0/s1
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n/an/a 70n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))		BDBM139861
PNG
(US8895581, V-2)
Show SMILES Cn1c(nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O)-c1ccccc1
Show InChI InChI=1S/C32H22F2N6O2/c1-39-29-23-14-20(10-12-27(23)37-17-28(29)38-30(39)22-7-3-2-4-8-22)6-5-13-36-31(41)24-16-35-19-40(32(24)42)18-21-9-11-25(33)26(34)15-21/h2-4,7-12,14-17,19H,13,18H2,1H3,(H,36,41)
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n/an/a 72n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))		BDBM139858
PNG
(US8895581, 328 | US8895581, V-8)
Show SMILES CN(C)Cc1nc2cnc3ccc(cc3c2n1C)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
Show InChI InChI=1S/C29H25F2N7O2/c1-36(2)16-26-35-25-14-34-24-9-7-18(11-20(24)27(25)37(26)3)5-4-10-33-28(39)21-13-32-17-38(29(21)40)15-19-6-8-22(30)23(31)12-19/h6-9,11-14,17H,10,15-16H2,1-3H3,(H,33,39)
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n/an/a 79n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))		BDBM139831
PNG
(US8895581, III-17)
Show SMILES CN1CCC[C@@H](C1)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cc(Cl)nn(Cc2ccc(F)c(F)c2)c1=O |r|
Show InChI InChI=1S/C32H28ClF2N7O2/c1-19-38-28-16-37-27-10-8-20(13-23(27)30(28)42(19)22-6-4-12-40(2)18-22)5-3-11-36-31(43)24-15-29(33)39-41(32(24)44)17-21-7-9-25(34)26(35)14-21/h7-10,13-16,22H,4,6,11-12,17-18H2,1-2H3,(H,36,43)/t22-/m0/s1
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n/an/a 111n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))		BDBM139808
PNG
(US8895581, II-29)
Show SMILES CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn(CC2CCCOC2)c1=O
Show InChI InChI=1S/C29H31N5O3/c1-19(2)34-20(3)32-26-16-31-25-11-10-21(15-24(25)27(26)34)7-4-12-30-28(35)23-9-5-13-33(29(23)36)17-22-8-6-14-37-18-22/h5,9-11,13,15-16,19,22H,6,8,12,14,17-18H2,1-3H3,(H,30,35)
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n/an/a 202n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))		BDBM139807
PNG
(US8895581, II-28)
Show SMILES CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn(C[C@H]2CCCC[C@H]2O)c1=O |r|
Show InChI InChI=1S/C30H33N5O3/c1-19(2)35-20(3)33-26-17-32-25-13-12-21(16-24(25)28(26)35)8-6-14-31-29(37)23-10-7-15-34(30(23)38)18-22-9-4-5-11-27(22)36/h7,10,12-13,15-17,19,22,27,36H,4-5,9,11,14,18H2,1-3H3,(H,31,37)/t22-,27-/m1/s1
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n/an/a 221n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))		BDBM139824
PNG
(US8895581, III-10)
Show SMILES CN(C)CCn1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn(Cc2ccccc2)c1=O
Show InChI InChI=1S/C30H28N6O2/c1-34(2)16-17-36-21-33-27-19-32-26-13-12-22(18-25(26)28(27)36)10-6-14-31-29(37)24-11-7-15-35(30(24)38)20-23-8-4-3-5-9-23/h3-5,7-9,11-13,15,18-19,21H,14,16-17,20H2,1-2H3,(H,31,37)
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n/an/a 277n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))		BDBM139787
PNG
(US8895581, II-8)
Show SMILES CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn([C@H](C)C2CCCCC2)c1=O |r|
Show InChI InChI=1S/C31H35N5O2/c1-20(2)36-22(4)34-28-19-33-27-15-14-23(18-26(27)29(28)36)10-8-16-32-30(37)25-13-9-17-35(31(25)38)21(3)24-11-6-5-7-12-24/h9,13-15,17-21,24H,5-7,11-12,16H2,1-4H3,(H,32,37)/t21-/m1/s1
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n/an/a 507n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))		BDBM139803
PNG
(US8895581, II-24)
Show SMILES CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn(CC2CCOCC2)c1=O
Show InChI InChI=1S/C29H31N5O3/c1-19(2)34-20(3)32-26-17-31-25-9-8-21(16-24(25)27(26)34)6-4-12-30-28(35)23-7-5-13-33(29(23)36)18-22-10-14-37-15-11-22/h5,7-9,13,16-17,19,22H,10-12,14-15,18H2,1-3H3,(H,30,35)
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n/an/a 590n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))		BDBM139843
PNG
(US8895581, III-29)
Show SMILES NC[C@@H](c1ccccc1)n1cccc(C(=O)NCC#Cc2ccc3ncc4ncn(C5CCOC5)c4c3c2)c1=O |r|
Show InChI InChI=1S/C31H28N6O3/c32-17-28(22-7-2-1-3-8-22)36-14-5-9-24(31(36)39)30(38)33-13-4-6-21-10-11-26-25(16-21)29-27(18-34-26)35-20-37(29)23-12-15-40-19-23/h1-3,5,7-11,14,16,18,20,23,28H,12-13,15,17,19,32H2,(H,33,38)/t23?,28-/m0/s1
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n/an/a 681n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))		BDBM139832
PNG
(US8895581, III-18)
Show SMILES CN1CCC[C@H](C1)n1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1cc(Cl)nn(Cc2ccc(F)c(F)c2)c1=O |r|
Show InChI InChI=1S/C31H26ClF2N7O2/c1-39-11-3-5-21(17-39)40-18-37-27-15-36-26-9-7-19(12-22(26)29(27)40)4-2-10-35-30(42)23-14-28(32)38-41(31(23)43)16-20-6-8-24(33)25(34)13-20/h6-9,12-15,18,21H,3,5,10-11,16-17H2,1H3,(H,35,42)/t21-/m1/s1
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n/an/a 787n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))		BDBM139804
PNG
(US8895581, II-25)
Show SMILES CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn(CC2CCCCO2)c1=O
Show InChI InChI=1S/C29H31N5O3/c1-19(2)34-20(3)32-26-17-31-25-12-11-21(16-24(25)27(26)34)8-6-13-30-28(35)23-10-7-14-33(29(23)36)18-22-9-4-5-15-37-22/h7,10-12,14,16-17,19,22H,4-5,9,13,15,18H2,1-3H3,(H,30,35)
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n/an/a 1.02E+3n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))		BDBM139806
PNG
(US8895581, II-27)
Show SMILES CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn(CC2(O)CCCCC2)c1=O
Show InChI InChI=1S/C30H33N5O3/c1-20(2)35-21(3)33-26-18-32-25-12-11-22(17-24(25)27(26)35)9-7-15-31-28(36)23-10-8-16-34(29(23)37)19-30(38)13-5-4-6-14-30/h8,10-12,16-18,20,38H,4-6,13-15,19H2,1-3H3,(H,31,36)
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n/an/a 1.10E+3n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))		BDBM139822
PNG
(US8895581, III-8)
Show SMILES OC[C@H](c1ccccc1)n1cccc(C(=O)NCC#Cc2ccc3ncc4ncn(C5CCNCC5)c4c3c2)c1=O |r|
Show InChI InChI=1S/C32H30N6O3/c39-20-29(23-7-2-1-3-8-23)37-17-5-9-25(32(37)41)31(40)34-14-4-6-22-10-11-27-26(18-22)30-28(19-35-27)36-21-38(30)24-12-15-33-16-13-24/h1-3,5,7-11,17-19,21,24,29,33,39H,12-16,20H2,(H,34,40)/t29-/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
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UniChem

Similars
US Patent
n/an/a 2.01E+3n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2HM5742
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%