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Compile Data Set for Download or QSAR

Found 40 hits Enz. Inhib. hit(s) with all data for entry = 6001   
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))
BDBM103938
PNG
(US8569511, 1)
Show SMILES FC1(F)CC1C(=O)Nc1ccc2[nH]nc(-c3nc4ccc(cc4[nH]3)N3CCOCC3)c2c1
Show InChI InChI=1S/C22H20F2N6O2/c23-22(24)11-15(22)21(31)25-12-1-3-16-14(9-12)19(29-28-16)20-26-17-4-2-13(10-18(17)27-20)30-5-7-32-8-6-30/h1-4,9-10,15H,5-8,11H2,(H,25,31)(H,26,27)(H,28,29)
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n/an/a 80n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent


Assay Description
The secondary assay was a time resolved-FRET LanthaScreen Kinase Binding Assay. (Invitrogen Corporation, Carlsbad, Calif.). This assay evaluates the...


US Patent US8569511 (2013)


BindingDB Entry DOI: 10.7270/Q2T1528Q
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM103939
PNG
(US8569511, 2)
Show SMILES CC1CN(CCO1)c1ccc2nc([nH]c2c1)-c1n[nH]c2ccc(NC(=O)C3CC3(F)F)cc12
Show InChI InChI=1S/C23H22F2N6O2/c1-12-11-31(6-7-33-12)14-3-5-18-19(9-14)28-21(27-18)20-15-8-13(2-4-17(15)29-30-20)26-22(32)16-10-23(16,24)25/h2-5,8-9,12,16H,6-7,10-11H2,1H3,(H,26,32)(H,27,28)(H,29,30)
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n/an/a 94n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent


Assay Description
The secondary assay was a time resolved-FRET LanthaScreen Kinase Binding Assay. (Invitrogen Corporation, Carlsbad, Calif.). This assay evaluates the...


US Patent US8569511 (2013)


BindingDB Entry DOI: 10.7270/Q2T1528Q
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM103938
PNG
(US8569511, 1)
Show SMILES FC1(F)CC1C(=O)Nc1ccc2[nH]nc(-c3nc4ccc(cc4[nH]3)N3CCOCC3)c2c1
Show InChI InChI=1S/C22H20F2N6O2/c23-22(24)11-15(22)21(31)25-12-1-3-16-14(9-12)19(29-28-16)20-26-17-4-2-13(10-18(17)27-20)30-5-7-32-8-6-30/h1-4,9-10,15H,5-8,11H2,(H,25,31)(H,26,27)(H,28,29)
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n/an/a 143n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent


Assay Description
The primary assay for compound inhibitory activity was the ATP depletion assay using the PDKtide substrate purchase from Millipore Corporation.


US Patent US8569511 (2013)


BindingDB Entry DOI: 10.7270/Q2T1528Q
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM103939
PNG
(US8569511, 2)
Show SMILES CC1CN(CCO1)c1ccc2nc([nH]c2c1)-c1n[nH]c2ccc(NC(=O)C3CC3(F)F)cc12
Show InChI InChI=1S/C23H22F2N6O2/c1-12-11-31(6-7-33-12)14-3-5-18-19(9-14)28-21(27-18)20-15-8-13(2-4-17(15)29-30-20)26-22(32)16-10-23(16,24)25/h2-5,8-9,12,16H,6-7,10-11H2,1H3,(H,26,32)(H,27,28)(H,29,30)
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n/an/a 159n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent


Assay Description
The primary assay for compound inhibitory activity was the ATP depletion assay using the PDKtide substrate purchase from Millipore Corporation.


US Patent US8569511 (2013)


BindingDB Entry DOI: 10.7270/Q2T1528Q
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM103919
PNG
(US8569511, 3)
Show SMILES O=C(Nc1ccc2[nH]nc(-c3nc4ccc(cc4[nH]3)N3CCOCC3)c2c1)C1CC1
Show InChI InChI=1S/C22H22N6O2/c29-22(13-1-2-13)23-14-3-5-17-16(11-14)20(27-26-17)21-24-18-6-4-15(12-19(18)25-21)28-7-9-30-10-8-28/h3-6,11-13H,1-2,7-10H2,(H,23,29)(H,24,25)(H,26,27)
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n/an/a 229n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent


Assay Description
The secondary assay was a time resolved-FRET LanthaScreen Kinase Binding Assay. (Invitrogen Corporation, Carlsbad, Calif.). This assay evaluates the...


US Patent US8569511 (2013)


BindingDB Entry DOI: 10.7270/Q2T1528Q
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM103920
PNG
(US8569511, 4)
Show SMILES FC1(F)CCC(CC1)C(=O)Nc1ccc2[nH]nc(-c3nc4ccc(cc4[nH]3)N3CCOCC3)c2c1
Show InChI InChI=1S/C25H26F2N6O2/c26-25(27)7-5-15(6-8-25)24(34)28-16-1-3-19-18(13-16)22(32-31-19)23-29-20-4-2-17(14-21(20)30-23)33-9-11-35-12-10-33/h1-4,13-15H,5-12H2,(H,28,34)(H,29,30)(H,31,32)
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n/an/a 265n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent


Assay Description
The secondary assay was a time resolved-FRET LanthaScreen Kinase Binding Assay. (Invitrogen Corporation, Carlsbad, Calif.). This assay evaluates the...


US Patent US8569511 (2013)


BindingDB Entry DOI: 10.7270/Q2T1528Q
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM103924
PNG
(US8569511, 8)
Show SMILES FC1(F)CC1C(=O)Nc1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1
Show InChI InChI=1S/C18H13F2N5O/c19-18(20)8-11(18)17(26)21-9-5-6-12-10(7-9)15(25-24-12)16-22-13-3-1-2-4-14(13)23-16/h1-7,11H,8H2,(H,21,26)(H,22,23)(H,24,25)
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n/an/a 280n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent


Assay Description
The secondary assay was a time resolved-FRET LanthaScreen Kinase Binding Assay. (Invitrogen Corporation, Carlsbad, Calif.). This assay evaluates the...


US Patent US8569511 (2013)


BindingDB Entry DOI: 10.7270/Q2T1528Q
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM103919
PNG
(US8569511, 3)
Show SMILES O=C(Nc1ccc2[nH]nc(-c3nc4ccc(cc4[nH]3)N3CCOCC3)c2c1)C1CC1
Show InChI InChI=1S/C22H22N6O2/c29-22(13-1-2-13)23-14-3-5-17-16(11-14)20(27-26-17)21-24-18-6-4-15(12-19(18)25-21)28-7-9-30-10-8-28/h3-6,11-13H,1-2,7-10H2,(H,23,29)(H,24,25)(H,26,27)
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n/an/a 283n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent


Assay Description
The primary assay for compound inhibitory activity was the ATP depletion assay using the PDKtide substrate purchase from Millipore Corporation.


US Patent US8569511 (2013)


BindingDB Entry DOI: 10.7270/Q2T1528Q
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM103920
PNG
(US8569511, 4)
Show SMILES FC1(F)CCC(CC1)C(=O)Nc1ccc2[nH]nc(-c3nc4ccc(cc4[nH]3)N3CCOCC3)c2c1
Show InChI InChI=1S/C25H26F2N6O2/c26-25(27)7-5-15(6-8-25)24(34)28-16-1-3-19-18(13-16)22(32-31-19)23-29-20-4-2-17(14-21(20)30-23)33-9-11-35-12-10-33/h1-4,13-15H,5-12H2,(H,28,34)(H,29,30)(H,31,32)
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n/an/a 304n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent


Assay Description
The primary assay for compound inhibitory activity was the ATP depletion assay using the PDKtide substrate purchase from Millipore Corporation.


US Patent US8569511 (2013)


BindingDB Entry DOI: 10.7270/Q2T1528Q
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM103926
PNG
(US8569511, 10)
Show SMILES FC1(F)CC1C(=O)Nc1cccc2[nH]nc(-c3nc4ccc(cc4[nH]3)N3CCOCC3)c12
Show InChI InChI=1S/C22H20F2N6O2/c23-22(24)11-13(22)21(31)27-15-2-1-3-16-18(15)19(29-28-16)20-25-14-5-4-12(10-17(14)26-20)30-6-8-32-9-7-30/h1-5,10,13H,6-9,11H2,(H,25,26)(H,27,31)(H,28,29)
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n/an/a 385n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent


Assay Description
The secondary assay was a time resolved-FRET LanthaScreen Kinase Binding Assay. (Invitrogen Corporation, Carlsbad, Calif.). This assay evaluates the...


US Patent US8569511 (2013)


BindingDB Entry DOI: 10.7270/Q2T1528Q
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM103922
PNG
(US8569511, 6)
Show SMILES FC1(F)CCC(CC1)C(=O)Nc1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1
Show InChI InChI=1S/C21H19F2N5O/c22-21(23)9-7-12(8-10-21)20(29)24-13-5-6-15-14(11-13)18(28-27-15)19-25-16-3-1-2-4-17(16)26-19/h1-6,11-12H,7-10H2,(H,24,29)(H,25,26)(H,27,28)
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n/an/a 410n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent


Assay Description
The secondary assay was a time resolved-FRET LanthaScreen Kinase Binding Assay. (Invitrogen Corporation, Carlsbad, Calif.). This assay evaluates the...


US Patent US8569511 (2013)


BindingDB Entry DOI: 10.7270/Q2T1528Q
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM103921
PNG
(US8569511, 5)
Show SMILES CC1CCN(CC1)c1ccc2nc([nH]c2c1)-c1n[nH]c2ccc(NC(=O)C3CC3(F)F)cc12
Show InChI InChI=1S/C24H24F2N6O/c1-13-6-8-32(9-7-13)15-3-5-19-20(11-15)29-22(28-19)21-16-10-14(2-4-18(16)30-31-21)27-23(33)17-12-24(17,25)26/h2-5,10-11,13,17H,6-9,12H2,1H3,(H,27,33)(H,28,29)(H,30,31)
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n/an/a 780n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent


Assay Description
The primary assay for compound inhibitory activity was the ATP depletion assay using the PDKtide substrate purchase from Millipore Corporation.


US Patent US8569511 (2013)


BindingDB Entry DOI: 10.7270/Q2T1528Q
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM103928
PNG
(US8569511, 12)
Show SMILES O=C(NC1CC1)Nc1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1
Show InChI InChI=1S/C18H16N6O/c25-18(19-10-5-6-10)20-11-7-8-13-12(9-11)16(24-23-13)17-21-14-3-1-2-4-15(14)22-17/h1-4,7-10H,5-6H2,(H,21,22)(H,23,24)(H2,19,20,25)
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n/an/a 920n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent


Assay Description
The secondary assay was a time resolved-FRET LanthaScreen Kinase Binding Assay. (Invitrogen Corporation, Carlsbad, Calif.). This assay evaluates the...


US Patent US8569511 (2013)


BindingDB Entry DOI: 10.7270/Q2T1528Q
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM103925
PNG
(US8569511, 9)
Show SMILES FC1(F)CC1C(=O)Nc1ccc2[nH]nc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)c2c1
Show InChI InChI=1S/C23H22F2N6O2/c24-23(25)11-16(23)22(32)26-14-2-4-17-15(10-14)20(30-29-17)21-27-18-3-1-13(9-19(18)28-21)12-31-5-7-33-8-6-31/h1-4,9-10,16H,5-8,11-12H2,(H,26,32)(H,27,28)(H,29,30)
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n/an/a 1.22E+3n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent


Assay Description
The secondary assay was a time resolved-FRET LanthaScreen Kinase Binding Assay. (Invitrogen Corporation, Carlsbad, Calif.). This assay evaluates the...


US Patent US8569511 (2013)


BindingDB Entry DOI: 10.7270/Q2T1528Q
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM103923
PNG
(US8569511, 7)
Show SMILES O=C(Nc1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1)C1CC1
Show InChI InChI=1S/C18H15N5O/c24-18(10-5-6-10)19-11-7-8-13-12(9-11)16(23-22-13)17-20-14-3-1-2-4-15(14)21-17/h1-4,7-10H,5-6H2,(H,19,24)(H,20,21)(H,22,23)
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n/an/a 1.23E+3n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent


Assay Description
The secondary assay was a time resolved-FRET LanthaScreen Kinase Binding Assay. (Invitrogen Corporation, Carlsbad, Calif.). This assay evaluates the...


US Patent US8569511 (2013)


BindingDB Entry DOI: 10.7270/Q2T1528Q
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM103922
PNG
(US8569511, 6)
Show SMILES FC1(F)CCC(CC1)C(=O)Nc1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1
Show InChI InChI=1S/C21H19F2N5O/c22-21(23)9-7-12(8-10-21)20(29)24-13-5-6-15-14(11-13)18(28-27-15)19-25-16-3-1-2-4-17(16)26-19/h1-6,11-12H,7-10H2,(H,24,29)(H,25,26)(H,27,28)
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent


Assay Description
The primary assay for compound inhibitory activity was the ATP depletion assay using the PDKtide substrate purchase from Millipore Corporation.


US Patent US8569511 (2013)


BindingDB Entry DOI: 10.7270/Q2T1528Q
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM103923
PNG
(US8569511, 7)
Show SMILES O=C(Nc1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1)C1CC1
Show InChI InChI=1S/C18H15N5O/c24-18(10-5-6-10)19-11-7-8-13-12(9-11)16(23-22-13)17-20-14-3-1-2-4-15(14)21-17/h1-4,7-10H,5-6H2,(H,19,24)(H,20,21)(H,22,23)
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n/an/a 1.74E+3n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent


Assay Description
The primary assay for compound inhibitory activity was the ATP depletion assay using the PDKtide substrate purchase from Millipore Corporation.


US Patent US8569511 (2013)


BindingDB Entry DOI: 10.7270/Q2T1528Q
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM103924
PNG
(US8569511, 8)
Show SMILES FC1(F)CC1C(=O)Nc1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1
Show InChI InChI=1S/C18H13F2N5O/c19-18(20)8-11(18)17(26)21-9-5-6-12-10(7-9)15(25-24-12)16-22-13-3-1-2-4-14(13)23-16/h1-7,11H,8H2,(H,21,26)(H,22,23)(H,24,25)
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n/an/a 1.94E+3n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent


Assay Description
The primary assay for compound inhibitory activity was the ATP depletion assay using the PDKtide substrate purchase from Millipore Corporation.


US Patent US8569511 (2013)


BindingDB Entry DOI: 10.7270/Q2T1528Q
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM103925
PNG
(US8569511, 9)
Show SMILES FC1(F)CC1C(=O)Nc1ccc2[nH]nc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)c2c1
Show InChI InChI=1S/C23H22F2N6O2/c24-23(25)11-16(23)22(32)26-14-2-4-17-15(10-14)20(30-29-17)21-27-18-3-1-13(9-19(18)28-21)12-31-5-7-33-8-6-31/h1-4,9-10,16H,5-8,11-12H2,(H,26,32)(H,27,28)(H,29,30)
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n/an/a 3.75E+3n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent


Assay Description
The primary assay for compound inhibitory activity was the ATP depletion assay using the PDKtide substrate purchase from Millipore Corporation.


US Patent US8569511 (2013)


BindingDB Entry DOI: 10.7270/Q2T1528Q
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM103926
PNG
(US8569511, 10)
Show SMILES FC1(F)CC1C(=O)Nc1cccc2[nH]nc(-c3nc4ccc(cc4[nH]3)N3CCOCC3)c12
Show InChI InChI=1S/C22H20F2N6O2/c23-22(24)11-13(22)21(31)27-15-2-1-3-16-18(15)19(29-28-16)20-25-14-5-4-12(10-17(14)26-20)30-6-8-32-9-7-30/h1-5,10,13H,6-9,11H2,(H,25,26)(H,27,31)(H,28,29)
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n/an/a 4.40E+3n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent


Assay Description
The primary assay for compound inhibitory activity was the ATP depletion assay using the PDKtide substrate purchase from Millipore Corporation.


US Patent US8569511 (2013)


BindingDB Entry DOI: 10.7270/Q2T1528Q
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM103932
PNG
(US8569511, 16)
Show SMILES CC(C)([N+]#[C-])c1ccc(cc1)-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1
Show InChI InChI=1S/C24H19N5/c1-24(2,25-3)17-11-8-15(9-12-17)16-10-13-19-18(14-16)22(29-28-19)23-26-20-6-4-5-7-21(20)27-23/h4-14H,1-2H3,(H,26,27)(H,28,29)
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n/an/a 5.17E+3n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent


Assay Description
The secondary assay was a time resolved-FRET LanthaScreen Kinase Binding Assay. (Invitrogen Corporation, Carlsbad, Calif.). This assay evaluates the...


US Patent US8569511 (2013)


BindingDB Entry DOI: 10.7270/Q2T1528Q
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM103929
PNG
(US8569511, 13)
Show SMILES Fc1cccc(c1)C(=O)Nc1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1
Show InChI InChI=1S/C21H14FN5O/c22-13-5-3-4-12(10-13)21(28)23-14-8-9-16-15(11-14)19(27-26-16)20-24-17-6-1-2-7-18(17)25-20/h1-11H,(H,23,28)(H,24,25)(H,26,27)
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n/an/a 8.79E+3n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent


Assay Description
The secondary assay was a time resolved-FRET LanthaScreen Kinase Binding Assay. (Invitrogen Corporation, Carlsbad, Calif.). This assay evaluates the...


US Patent US8569511 (2013)


BindingDB Entry DOI: 10.7270/Q2T1528Q
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM103927
PNG
(US8569511, 11)
Show SMILES Brc1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1
Show InChI InChI=1S/C14H9BrN4/c15-8-5-6-10-9(7-8)13(19-18-10)14-16-11-3-1-2-4-12(11)17-14/h1-7H,(H,16,17)(H,18,19)
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n/an/a 1.09E+4n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent


Assay Description
The primary assay for compound inhibitory activity was the ATP depletion assay using the PDKtide substrate purchase from Millipore Corporation.


US Patent US8569511 (2013)


BindingDB Entry DOI: 10.7270/Q2T1528Q
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM103928
PNG
(US8569511, 12)
Show SMILES O=C(NC1CC1)Nc1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1
Show InChI InChI=1S/C18H16N6O/c25-18(19-10-5-6-10)20-11-7-8-13-12(9-11)16(24-23-13)17-21-14-3-1-2-4-15(14)22-17/h1-4,7-10H,5-6H2,(H,21,22)(H,23,24)(H2,19,20,25)
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n/an/a 1.16E+4n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent


Assay Description
The primary assay for compound inhibitory activity was the ATP depletion assay using the PDKtide substrate purchase from Millipore Corporation.


US Patent US8569511 (2013)


BindingDB Entry DOI: 10.7270/Q2T1528Q
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM103934
PNG
(US8569511, 18)
Show SMILES CN1CCC(C)(CC1)C(=O)Nc1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1
Show InChI InChI=1S/C22H24N6O/c1-22(9-11-28(2)12-10-22)21(29)23-14-7-8-16-15(13-14)19(27-26-16)20-24-17-5-3-4-6-18(17)25-20/h3-8,13H,9-12H2,1-2H3,(H,23,29)(H,24,25)(H,26,27)
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n/an/a 1.24E+4n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent


Assay Description
The secondary assay was a time resolved-FRET LanthaScreen Kinase Binding Assay. (Invitrogen Corporation, Carlsbad, Calif.). This assay evaluates the...


US Patent US8569511 (2013)


BindingDB Entry DOI: 10.7270/Q2T1528Q
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM103930
PNG
(US8569511, 14)
Show SMILES CS(=O)(=O)c1cccc(c1)-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1
Show InChI InChI=1S/C21H16N4O2S/c1-28(26,27)15-6-4-5-13(11-15)14-9-10-17-16(12-14)20(25-24-17)21-22-18-7-2-3-8-19(18)23-21/h2-12H,1H3,(H,22,23)(H,24,25)
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n/an/a 1.53E+4n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent


Assay Description
The secondary assay was a time resolved-FRET LanthaScreen Kinase Binding Assay. (Invitrogen Corporation, Carlsbad, Calif.). This assay evaluates the...


US Patent US8569511 (2013)


BindingDB Entry DOI: 10.7270/Q2T1528Q
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM103929
PNG
(US8569511, 13)
Show SMILES Fc1cccc(c1)C(=O)Nc1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1
Show InChI InChI=1S/C21H14FN5O/c22-13-5-3-4-12(10-13)21(28)23-14-8-9-16-15(11-14)19(27-26-16)20-24-17-6-1-2-7-18(17)25-20/h1-11H,(H,23,28)(H,24,25)(H,26,27)
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n/an/a 2.11E+4n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent


Assay Description
The primary assay for compound inhibitory activity was the ATP depletion assay using the PDKtide substrate purchase from Millipore Corporation.


US Patent US8569511 (2013)


BindingDB Entry DOI: 10.7270/Q2T1528Q
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM103930
PNG
(US8569511, 14)
Show SMILES CS(=O)(=O)c1cccc(c1)-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1
Show InChI InChI=1S/C21H16N4O2S/c1-28(26,27)15-6-4-5-13(11-15)14-9-10-17-16(12-14)20(25-24-17)21-22-18-7-2-3-8-19(18)23-21/h2-12H,1H3,(H,22,23)(H,24,25)
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n/an/a 2.37E+4n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent


Assay Description
The primary assay for compound inhibitory activity was the ATP depletion assay using the PDKtide substrate purchase from Millipore Corporation.


US Patent US8569511 (2013)


BindingDB Entry DOI: 10.7270/Q2T1528Q
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM103931
PNG
(US8569511, 15)
Show SMILES FC(F)(F)c1cccc(c1)-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1
Show InChI InChI=1S/C21H13F3N4/c22-21(23,24)14-5-3-4-12(10-14)13-8-9-16-15(11-13)19(28-27-16)20-25-17-6-1-2-7-18(17)26-20/h1-11H,(H,25,26)(H,27,28)
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n/an/a 3.03E+4n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent


Assay Description
The secondary assay was a time resolved-FRET LanthaScreen Kinase Binding Assay. (Invitrogen Corporation, Carlsbad, Calif.). This assay evaluates the...


US Patent US8569511 (2013)


BindingDB Entry DOI: 10.7270/Q2T1528Q
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM103935
PNG
(US8569511, 19)
Show SMILES O=C(NC1CCCC1)Nc1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1
Show InChI InChI=1S/C20H20N6O/c27-20(21-12-5-1-2-6-12)22-13-9-10-15-14(11-13)18(26-25-15)19-23-16-7-3-4-8-17(16)24-19/h3-4,7-12H,1-2,5-6H2,(H,23,24)(H,25,26)(H2,21,22,27)
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n/an/a 5.39E+4n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent


Assay Description
The secondary assay was a time resolved-FRET LanthaScreen Kinase Binding Assay. (Invitrogen Corporation, Carlsbad, Calif.). This assay evaluates the...


US Patent US8569511 (2013)


BindingDB Entry DOI: 10.7270/Q2T1528Q
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM103931
PNG
(US8569511, 15)
Show SMILES FC(F)(F)c1cccc(c1)-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1
Show InChI InChI=1S/C21H13F3N4/c22-21(23,24)14-5-3-4-12(10-14)13-8-9-16-15(11-13)19(28-27-16)20-25-17-6-1-2-7-18(17)26-20/h1-11H,(H,25,26)(H,27,28)
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n/an/a 5.57E+4n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent


Assay Description
The primary assay for compound inhibitory activity was the ATP depletion assay using the PDKtide substrate purchase from Millipore Corporation.


US Patent US8569511 (2013)


BindingDB Entry DOI: 10.7270/Q2T1528Q
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM103932
PNG
(US8569511, 16)
Show SMILES CC(C)([N+]#[C-])c1ccc(cc1)-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1
Show InChI InChI=1S/C24H19N5/c1-24(2,25-3)17-11-8-15(9-12-17)16-10-13-19-18(14-16)22(29-28-19)23-26-20-6-4-5-7-21(20)27-23/h4-14H,1-2H3,(H,26,27)(H,28,29)
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n/an/a 5.85E+4n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent


Assay Description
The primary assay for compound inhibitory activity was the ATP depletion assay using the PDKtide substrate purchase from Millipore Corporation.


US Patent US8569511 (2013)


BindingDB Entry DOI: 10.7270/Q2T1528Q
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM103936
PNG
(US8569511, 20)
Show SMILES O=C(Nc1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1)C1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C25H23N7O/c33-25(16-9-13-32(14-10-16)18-7-11-26-12-8-18)27-17-5-6-20-19(15-17)23(31-30-20)24-28-21-3-1-2-4-22(21)29-24/h1-8,11-12,15-16H,9-10,13-14H2,(H,27,33)(H,28,29)(H,30,31)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent


Assay Description
The secondary assay was a time resolved-FRET LanthaScreen Kinase Binding Assay. (Invitrogen Corporation, Carlsbad, Calif.). This assay evaluates the...


US Patent US8569511 (2013)


BindingDB Entry DOI: 10.7270/Q2T1528Q
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM103933
PNG
(US8569511, 17)
Show SMILES Fc1ccc(NC(=O)Nc2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)c(F)c1
Show InChI InChI=1S/C21H14F2N6O/c22-11-5-7-16(14(23)9-11)27-21(30)24-12-6-8-15-13(10-12)19(29-28-15)20-25-17-3-1-2-4-18(17)26-20/h1-10H,(H,25,26)(H,28,29)(H2,24,27,30)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent


Assay Description
The secondary assay was a time resolved-FRET LanthaScreen Kinase Binding Assay. (Invitrogen Corporation, Carlsbad, Calif.). This assay evaluates the...


US Patent US8569511 (2013)


BindingDB Entry DOI: 10.7270/Q2T1528Q
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM103937
PNG
(US8569511, 21)
Show SMILES FC1(F)CC1C(=O)Nc1ccc2c(n[nH]c2c1)-c1nc2ccc(cc2[nH]1)N1CCOCC1
Show InChI InChI=1S/C22H20F2N6O2/c23-22(24)11-15(22)21(31)25-12-1-3-14-17(9-12)28-29-19(14)20-26-16-4-2-13(10-18(16)27-20)30-5-7-32-8-6-30/h1-4,9-10,15H,5-8,11H2,(H,25,31)(H,26,27)(H,28,29)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent


Assay Description
The primary assay for compound inhibitory activity was the ATP depletion assay using the PDKtide substrate purchase from Millipore Corporation.


US Patent US8569511 (2013)


BindingDB Entry DOI: 10.7270/Q2T1528Q
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM103937
PNG
(US8569511, 21)
Show SMILES FC1(F)CC1C(=O)Nc1ccc2c(n[nH]c2c1)-c1nc2ccc(cc2[nH]1)N1CCOCC1
Show InChI InChI=1S/C22H20F2N6O2/c23-22(24)11-15(22)21(31)25-12-1-3-14-17(9-12)28-29-19(14)20-26-16-4-2-13(10-18(16)27-20)30-5-7-32-8-6-30/h1-4,9-10,15H,5-8,11H2,(H,25,31)(H,26,27)(H,28,29)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent


Assay Description
The secondary assay was a time resolved-FRET LanthaScreen Kinase Binding Assay. (Invitrogen Corporation, Carlsbad, Calif.). This assay evaluates the...


US Patent US8569511 (2013)


BindingDB Entry DOI: 10.7270/Q2T1528Q
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM103935
PNG
(US8569511, 19)
Show SMILES O=C(NC1CCCC1)Nc1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1
Show InChI InChI=1S/C20H20N6O/c27-20(21-12-5-1-2-6-12)22-13-9-10-15-14(11-13)18(26-25-15)19-23-16-7-3-4-8-17(16)24-19/h3-4,7-12H,1-2,5-6H2,(H,23,24)(H,25,26)(H2,21,22,27)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent


Assay Description
The primary assay for compound inhibitory activity was the ATP depletion assay using the PDKtide substrate purchase from Millipore Corporation.


US Patent US8569511 (2013)


BindingDB Entry DOI: 10.7270/Q2T1528Q
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM103934
PNG
(US8569511, 18)
Show SMILES CN1CCC(C)(CC1)C(=O)Nc1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1
Show InChI InChI=1S/C22H24N6O/c1-22(9-11-28(2)12-10-22)21(29)23-14-7-8-16-15(13-14)19(27-26-16)20-24-17-5-3-4-6-18(17)25-20/h3-8,13H,9-12H2,1-2H3,(H,23,29)(H,24,25)(H,26,27)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent


Assay Description
The primary assay for compound inhibitory activity was the ATP depletion assay using the PDKtide substrate purchase from Millipore Corporation.


US Patent US8569511 (2013)


BindingDB Entry DOI: 10.7270/Q2T1528Q
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM103933
PNG
(US8569511, 17)
Show SMILES Fc1ccc(NC(=O)Nc2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)c(F)c1
Show InChI InChI=1S/C21H14F2N6O/c22-11-5-7-16(14(23)9-11)27-21(30)24-12-6-8-15-13(10-12)19(29-28-15)20-25-17-3-1-2-4-18(17)26-20/h1-10H,(H,25,26)(H,28,29)(H2,24,27,30)
PDB
MMDB

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US Patent
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent


Assay Description
The primary assay for compound inhibitory activity was the ATP depletion assay using the PDKtide substrate purchase from Millipore Corporation.


US Patent US8569511 (2013)


BindingDB Entry DOI: 10.7270/Q2T1528Q
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM103936
PNG
(US8569511, 20)
Show SMILES O=C(Nc1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1)C1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C25H23N7O/c33-25(16-9-13-32(14-10-16)18-7-11-26-12-8-18)27-17-5-6-20-19(15-17)23(31-30-20)24-28-21-3-1-2-4-22(21)29-24/h1-8,11-12,15-16H,9-10,13-14H2,(H,27,33)(H,28,29)(H,30,31)
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Similars

US Patent
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent


Assay Description
The primary assay for compound inhibitory activity was the ATP depletion assay using the PDKtide substrate purchase from Millipore Corporation.


US Patent US8569511 (2013)


BindingDB Entry DOI: 10.7270/Q2T1528Q
More data for this
Ligand-Target Pair