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Compile Data Set for Download or QSAR

Found 1640 hits with Last Name = 'kessler' and Initial = 'd'   
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
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM116089
PNG
(US8633183, E-238)
Show SMILES CCc1ncnc(-c2cc(F)c(C(=O)N3CCN4CCC[C@H]4C3)c(Cl)c2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1/C27H26ClFN6O/c1-2-23-20(7-5-17-6-8-24(30)31-14-17)26(33-16-32-23)18-12-21(28)25(22(29)13-18)27(36)35-11-10-34-9-3-4-19(34)15-35/h6,8,12-14,16,19H,2-4,9-11,15H2,1H3,(H2,30,31)/t19-/s2
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n/an/a 0.0700n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Flu...


US Patent US8633183 (2014)


BindingDB Entry DOI: 10.7270/Q2SX6BW4
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM116093
PNG
(US8633183, E-242)
Show SMILES CCc1ncnc(-c2cc(F)c(C(=O)N3CCC(CO)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C26H25ClFN5O2/c1-2-22-19(5-3-16-4-6-23(29)30-13-16)25(32-15-31-22)18-11-20(27)24(21(28)12-18)26(35)33-9-7-17(14-34)8-10-33/h4,6,11-13,15,17,34H,2,7-10,14H2,1H3,(H2,29,30)
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n/an/a 0.200n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Flu...


US Patent US8633183 (2014)


BindingDB Entry DOI: 10.7270/Q2SX6BW4
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM116143
PNG
(US8633183, E-297)
Show SMILES CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(Cc4cc(C)no4)CC3)c(F)c2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C29H27F2N7O2/c1-3-25-22(6-4-19-5-7-26(32)33-15-19)28(35-17-34-25)20-13-23(30)27(24(31)14-20)29(39)38-10-8-37(9-11-38)16-21-12-18(2)36-40-21/h5,7,12-15,17H,3,8-11,16H2,1-2H3,(H2,32,33)
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n/an/a 0.210n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Flu...


US Patent US8633183 (2014)


BindingDB Entry DOI: 10.7270/Q2SX6BW4
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM116092
PNG
(US8633183, E-241)
Show SMILES CCc1ncnc(-c2cc(F)c(C(=O)N3CCC(CC3)C(C)O)c(Cl)c2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1/C27H27ClFN5O2/c1-3-23-20(6-4-17-5-7-24(30)31-14-17)26(33-15-32-23)19-12-21(28)25(22(29)13-19)27(36)34-10-8-18(9-11-34)16(2)35/h5,7,12-16,18,35H,3,8-11H2,1-2H3,(H2,30,31)
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n/an/a 0.25n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Flu...


US Patent US8633183 (2014)


BindingDB Entry DOI: 10.7270/Q2SX6BW4
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM116090
PNG
(US8633183, E-239)
Show SMILES CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(C)C(=O)C3)c(Cl)c2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C25H22ClFN6O2/c1-3-20-17(6-4-15-5-7-21(28)29-12-15)24(31-14-30-20)16-10-18(26)23(19(27)11-16)25(35)33-9-8-32(2)22(34)13-33/h5,7,10-12,14H,3,8-9,13H2,1-2H3,(H2,28,29)
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n/an/a 0.260n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Flu...


US Patent US8633183 (2014)


BindingDB Entry DOI: 10.7270/Q2SX6BW4
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM115930
PNG
(US8633183, E-74)
Show SMILES CCc1ncnc(-c2ccc(C(=O)N3CCCO3)c(Cl)c2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C23H20ClN5O2/c1-2-20-18(7-4-15-5-9-21(25)26-13-15)22(28-14-27-20)16-6-8-17(19(24)12-16)23(30)29-10-3-11-31-29/h5-6,8-9,12-14H,2-3,10-11H2,1H3,(H2,25,26)
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n/an/a 0.270n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Flu...


US Patent US8633183 (2014)


BindingDB Entry DOI: 10.7270/Q2SX6BW4
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM116147
PNG
(US8633183, E-301)
Show SMILES CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(CC3)C3CCCC3O)c(F)c2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1/C29H30F2N6O2/c1-2-23-20(8-6-18-7-9-26(32)33-16-18)28(35-17-34-23)19-14-21(30)27(22(31)15-19)29(39)37-12-10-36(11-13-37)24-4-3-5-25(24)38/h7,9,14-17,24-25,38H,2-5,10-13H2,1H3,(H2,32,33)
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n/an/a 0.280n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Flu...


US Patent US8633183 (2014)


BindingDB Entry DOI: 10.7270/Q2SX6BW4
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM116091
PNG
(US8633183, E-240)
Show SMILES CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(CC(C)(C)O)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C28H30ClFN6O2/c1-4-23-20(7-5-18-6-8-24(31)32-15-18)26(34-17-33-23)19-13-21(29)25(22(30)14-19)27(37)36-11-9-35(10-12-36)16-28(2,3)38/h6,8,13-15,17,38H,4,9-12,16H2,1-3H3,(H2,31,32)
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n/an/a 0.290n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Flu...


US Patent US8633183 (2014)


BindingDB Entry DOI: 10.7270/Q2SX6BW4
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM116154
PNG
(US8633183, E-308)
Show SMILES CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(CC3)C3CCCC3O)c(Cl)c2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1/C29H30ClFN6O2/c1-2-23-20(8-6-18-7-9-26(32)33-16-18)28(35-17-34-23)19-14-21(30)27(22(31)15-19)29(39)37-12-10-36(11-13-37)24-4-3-5-25(24)38/h7,9,14-17,24-25,38H,2-5,10-13H2,1H3,(H2,32,33)
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n/an/a 0.320n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Flu...


US Patent US8633183 (2014)


BindingDB Entry DOI: 10.7270/Q2SX6BW4
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM115862
PNG
(US8633183, E-6)
Show SMILES CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(CC3)C3CCOCC3)c(F)c2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C29H30F2N6O2/c1-2-25-22(5-3-19-4-6-26(32)33-17-19)28(35-18-34-25)20-15-23(30)27(24(31)16-20)29(38)37-11-9-36(10-12-37)21-7-13-39-14-8-21/h4,6,15-18,21H,2,7-14H2,1H3,(H2,32,33)
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n/an/a 0.350n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Flu...


US Patent US8633183 (2014)


BindingDB Entry DOI: 10.7270/Q2SX6BW4
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM115937
PNG
(US8633183, E-81)
Show SMILES CCc1ncnc(-c2ccc(C(=O)N3CCN(CC3)S(=O)(=O)CC)c(Cl)c2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C26H27ClN6O3S/c1-3-23-21(8-5-18-6-10-24(28)29-16-18)25(31-17-30-23)19-7-9-20(22(27)15-19)26(34)32-11-13-33(14-12-32)37(35,36)4-2/h6-7,9-10,15-17H,3-4,11-14H2,1-2H3,(H2,28,29)
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n/an/a 0.360n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Flu...


US Patent US8633183 (2014)


BindingDB Entry DOI: 10.7270/Q2SX6BW4
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM116158
PNG
(US8633183, E-312)
Show SMILES CCc1ncnc(-c2ccc(C(=O)N3CCN(Cc4cc(C)no4)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C29H28ClN7O2/c1-3-26-24(7-4-20-5-9-27(31)32-16-20)28(34-18-33-26)21-6-8-23(25(30)15-21)29(38)37-12-10-36(11-13-37)17-22-14-19(2)35-39-22/h5-6,8-9,14-16,18H,3,10-13,17H2,1-2H3,(H2,31,32)
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n/an/a 0.390n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Flu...


US Patent US8633183 (2014)


BindingDB Entry DOI: 10.7270/Q2SX6BW4
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM115865
PNG
(US8633183, E-9)
Show SMILES CCc1ncnc(-c2cc(F)c(C(=O)N3CCC(CC3)N3CCOCC3)c(F)c2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C29H30F2N6O2/c1-2-25-22(5-3-19-4-6-26(32)33-17-19)28(35-18-34-25)20-15-23(30)27(24(31)16-20)29(38)37-9-7-21(8-10-37)36-11-13-39-14-12-36/h4,6,15-18,21H,2,7-14H2,1H3,(H2,32,33)
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n/an/a 0.400n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Flu...


US Patent US8633183 (2014)


BindingDB Entry DOI: 10.7270/Q2SX6BW4
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM116153
PNG
(US8633183, E-307)
Show SMILES CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(Cc4nc(C)c(C)o4)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C30H29ClFN7O2/c1-4-25-22(7-5-20-6-8-26(33)34-15-20)29(36-17-35-25)21-13-23(31)28(24(32)14-21)30(40)39-11-9-38(10-12-39)16-27-37-18(2)19(3)41-27/h6,8,13-15,17H,4,9-12,16H2,1-3H3,(H2,33,34)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Flu...


US Patent US8633183 (2014)


BindingDB Entry DOI: 10.7270/Q2SX6BW4
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM116192
PNG
(US8633183, E-346)
Show SMILES CCc1ncnc(-c2ccc(C(=O)N3CCN(Cc4ncon4)CC3)c(F)c2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C27H25FN8O2/c1-2-23-21(6-3-18-4-8-24(29)30-14-18)26(32-16-31-23)19-5-7-20(22(28)13-19)27(37)36-11-9-35(10-12-36)15-25-33-17-38-34-25/h4-5,7-8,13-14,16-17H,2,9-12,15H2,1H3,(H2,29,30)
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n/an/a 0.450n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Flu...


US Patent US8633183 (2014)


BindingDB Entry DOI: 10.7270/Q2SX6BW4
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM116105
PNG
(US8633183, E-255)
Show SMILES CCc1ncnc(-c2ccc(C(=O)N3CCn4cnnc4C3)c(Cl)c2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C25H21ClN8O/c1-2-21-19(6-3-16-4-8-22(27)28-12-16)24(30-14-29-21)17-5-7-18(20(26)11-17)25(35)33-9-10-34-15-31-32-23(34)13-33/h4-5,7-8,11-12,14-15H,2,9-10,13H2,1H3,(H2,27,28)
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n/an/a 0.460n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Flu...


US Patent US8633183 (2014)


BindingDB Entry DOI: 10.7270/Q2SX6BW4
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM115928
PNG
(US8633183, E-72)
Show SMILES CCc1ncnc(-c2ccc(C(=O)N3CCOCC3)c(Cl)c2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C24H22ClN5O2/c1-2-21-19(6-3-16-4-8-22(26)27-14-16)23(29-15-28-21)17-5-7-18(20(25)13-17)24(31)30-9-11-32-12-10-30/h4-5,7-8,13-15H,2,9-12H2,1H3,(H2,26,27)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Flu...


US Patent US8633183 (2014)


BindingDB Entry DOI: 10.7270/Q2SX6BW4
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM116095
PNG
(US8633183, E-245)
Show SMILES CCc1ncnc(-c2ccc(C(=O)N3CCN(CC3)C3CCC3)c(F)c2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C28H29FN6O/c1-2-25-23(9-6-19-7-11-26(30)31-17-19)27(33-18-32-25)20-8-10-22(24(29)16-20)28(36)35-14-12-34(13-15-35)21-4-3-5-21/h7-8,10-11,16-18,21H,2-5,12-15H2,1H3,(H2,30,31)
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n/an/a 0.470n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Flu...


US Patent US8633183 (2014)


BindingDB Entry DOI: 10.7270/Q2SX6BW4
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM116146
PNG
(US8633183, E-300)
Show SMILES CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(Cc4nc(C)c(C)o4)CC3)c(F)c2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C30H29F2N7O2/c1-4-25-22(7-5-20-6-8-26(33)34-15-20)29(36-17-35-25)21-13-23(31)28(24(32)14-21)30(40)39-11-9-38(10-12-39)16-27-37-18(2)19(3)41-27/h6,8,13-15,17H,4,9-12,16H2,1-3H3,(H2,33,34)
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n/an/a 0.490n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Flu...


US Patent US8633183 (2014)


BindingDB Entry DOI: 10.7270/Q2SX6BW4
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM116007
PNG
(US8633183, E-156)
Show SMILES CCc1ncnc(-c2cc(F)c(C(=O)N3CCn4ccnc4C3)c(Cl)c2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C26H21ClFN7O/c1-2-21-18(5-3-16-4-6-22(29)31-13-16)25(33-15-32-21)17-11-19(27)24(20(28)12-17)26(36)35-10-9-34-8-7-30-23(34)14-35/h4,6-8,11-13,15H,2,9-10,14H2,1H3,(H2,29,31)
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n/an/a 0.510n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Flu...


US Patent US8633183 (2014)


BindingDB Entry DOI: 10.7270/Q2SX6BW4
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM116157
PNG
(US8633183, E-311)
Show SMILES CCc1ncnc(-c2cc(F)c(C(=O)N3CCC4(CC(=O)CO4)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C28H25ClFN5O3/c1-2-23-20(5-3-17-4-6-24(31)32-14-17)26(34-16-33-23)18-11-21(29)25(22(30)12-18)27(37)35-9-7-28(8-10-35)13-19(36)15-38-28/h4,6,11-12,14,16H,2,7-10,13,15H2,1H3,(H2,31,32)
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n/an/a 0.520n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Flu...


US Patent US8633183 (2014)


BindingDB Entry DOI: 10.7270/Q2SX6BW4
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM116010
PNG
(US8633183, E-159)
Show SMILES CCc1ncnc(-c2cc(F)c(C(=O)N3CCC4(COC4)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C27H25ClFN5O2/c1-2-22-19(5-3-17-4-6-23(30)31-13-17)25(33-16-32-22)18-11-20(28)24(21(29)12-18)26(35)34-9-7-27(8-10-34)14-36-15-27/h4,6,11-13,16H,2,7-10,14-15H2,1H3,(H2,30,31)
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n/an/a 0.530n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Flu...


US Patent US8633183 (2014)


BindingDB Entry DOI: 10.7270/Q2SX6BW4
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM115999
PNG
(US8633183, E-147)
Show SMILES CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(CCCS(C)(=O)=O)CC3)c(F)c2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C28H30F2N6O3S/c1-3-24-21(7-5-19-6-8-25(31)32-17-19)27(34-18-33-24)20-15-22(29)26(23(30)16-20)28(37)36-12-10-35(11-13-36)9-4-14-40(2,38)39/h6,8,15-18H,3-4,9-14H2,1-2H3,(H2,31,32)
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n/an/a 0.540n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Flu...


US Patent US8633183 (2014)


BindingDB Entry DOI: 10.7270/Q2SX6BW4
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM116144
PNG
(US8633183, E-298)
Show SMILES CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(CC3)C(C)COC)c(F)c2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1/C28H30F2N6O2/c1-4-24-21(7-5-19-6-8-25(31)32-15-19)27(34-17-33-24)20-13-22(29)26(23(30)14-20)28(37)36-11-9-35(10-12-36)18(2)16-38-3/h6,8,13-15,17-18H,4,9-12,16H2,1-3H3,(H2,31,32)
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n/an/a 0.560n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Flu...


US Patent US8633183 (2014)


BindingDB Entry DOI: 10.7270/Q2SX6BW4
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM116155
PNG
(US8633183, E-309)
Show SMILES CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(CC(C)O)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1/C27H28ClFN6O2/c1-3-23-20(6-4-18-5-7-24(30)31-14-18)26(33-16-32-23)19-12-21(28)25(22(29)13-19)27(37)35-10-8-34(9-11-35)15-17(2)36/h5,7,12-14,16-17,36H,3,8-11,15H2,1-2H3,(H2,30,31)
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n/an/a 0.560n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Flu...


US Patent US8633183 (2014)


BindingDB Entry DOI: 10.7270/Q2SX6BW4
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM116102
PNG
(US8633183, E-252)
Show SMILES CCc1ncnc(-c2ccc(C(=O)N3CCN(CC3)C3CCC3)c(Cl)c2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C28H29ClN6O/c1-2-25-23(9-6-19-7-11-26(30)31-17-19)27(33-18-32-25)20-8-10-22(24(29)16-20)28(36)35-14-12-34(13-15-35)21-4-3-5-21/h7-8,10-11,16-18,21H,2-5,12-15H2,1H3,(H2,30,31)
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n/an/a 0.570n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Flu...


US Patent US8633183 (2014)


BindingDB Entry DOI: 10.7270/Q2SX6BW4
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM116145
PNG
(US8633183, E-299)
Show SMILES CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(CC3)C(C)CO)c(F)c2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1/C27H28F2N6O2/c1-3-23-20(6-4-18-5-7-24(30)31-14-18)26(33-16-32-23)19-12-21(28)25(22(29)13-19)27(37)35-10-8-34(9-11-35)17(2)15-36/h5,7,12-14,16-17,36H,3,8-11,15H2,1-2H3,(H2,30,31)
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n/an/a 0.580n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Flu...


US Patent US8633183 (2014)


BindingDB Entry DOI: 10.7270/Q2SX6BW4
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM116056
PNG
(US8633183, E-205)
Show SMILES CCc1ncnc(-c2cc(Cl)c(C(=O)N3CCC(CO)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C26H25Cl2N5O2/c1-2-22-19(5-3-16-4-6-23(29)30-13-16)25(32-15-31-22)18-11-20(27)24(21(28)12-18)26(35)33-9-7-17(14-34)8-10-33/h4,6,11-13,15,17,34H,2,7-10,14H2,1H3,(H2,29,30)
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n/an/a 0.590n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Flu...


US Patent US8633183 (2014)


BindingDB Entry DOI: 10.7270/Q2SX6BW4
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM116008
PNG
(US8633183, E-157)
Show SMILES CCc1ncnc(-c2cc(F)c(C(=O)N3CCn4cnnc4C3)c(Cl)c2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C25H20ClFN8O/c1-2-20-17(5-3-15-4-6-21(28)29-11-15)24(31-13-30-20)16-9-18(26)23(19(27)10-16)25(36)34-7-8-35-14-32-33-22(35)12-34/h4,6,9-11,13-14H,2,7-8,12H2,1H3,(H2,28,29)
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n/an/a 0.590n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Flu...


US Patent US8633183 (2014)


BindingDB Entry DOI: 10.7270/Q2SX6BW4
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM115661
PNG
(US8633183, D-36)
Show SMILES CCc1ncnc(-c2ccc(C(=O)N3CCN(CCO)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C26H27ClN6O2/c1-2-23-21(6-3-18-4-8-24(28)29-16-18)25(31-17-30-23)19-5-7-20(22(27)15-19)26(35)33-11-9-32(10-12-33)13-14-34/h4-5,7-8,15-17,34H,2,9-14H2,1H3,(H2,28,29)
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n/an/a 0.600n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Flu...


US Patent US8633183 (2014)


BindingDB Entry DOI: 10.7270/Q2SX6BW4
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM111676
PNG
(US8618111, B-63)
Show SMILES CCc1ncnc(N2CCC(O)(CC2)C(C)C)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C21H27N5O/c1-4-18-17(7-5-16-6-8-19(22)23-13-16)20(25-14-24-18)26-11-9-21(27,10-12-26)15(2)3/h6,8,13-15,27H,4,9-12H2,1-3H3,(H2,22,23)
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n/an/a 0.610n/an/an/an/a7.525



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Flu...


US Patent US8618111 (2013)


BindingDB Entry DOI: 10.7270/Q2FX7838
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM116087
PNG
(US8633183, E-236)
Show SMILES CCc1ncnc(-c2cc(F)c(C(=O)N3CCC(CC3)N3CCOCC3)c(Cl)c2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C29H30ClFN6O2/c1-2-25-22(5-3-19-4-6-26(32)33-17-19)28(35-18-34-25)20-15-23(30)27(24(31)16-20)29(38)37-9-7-21(8-10-37)36-11-13-39-14-12-36/h4,6,15-18,21H,2,7-14H2,1H3,(H2,32,33)
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n/an/a 0.640n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Flu...


US Patent US8633183 (2014)


BindingDB Entry DOI: 10.7270/Q2SX6BW4
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM116188
PNG
(US8633183, E-342)
Show SMILES CCc1ncnc(-c2ccc(C(=O)N3CCN(Cc4ncon4)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C27H25ClN8O2/c1-2-23-21(6-3-18-4-8-24(29)30-14-18)26(32-16-31-23)19-5-7-20(22(28)13-19)27(37)36-11-9-35(10-12-36)15-25-33-17-38-34-25/h4-5,7-8,13-14,16-17H,2,9-12,15H2,1H3,(H2,29,30)
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n/an/a 0.660n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Flu...


US Patent US8633183 (2014)


BindingDB Entry DOI: 10.7270/Q2SX6BW4
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM116085
PNG
(US8633183, E-234)
Show SMILES CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(CC3)C(C)C)c(Cl)c2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C27H28ClFN6O/c1-4-23-20(7-5-18-6-8-24(30)31-15-18)26(33-16-32-23)19-13-21(28)25(22(29)14-19)27(36)35-11-9-34(10-12-35)17(2)3/h6,8,13-17H,4,9-12H2,1-3H3,(H2,30,31)
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n/an/a 0.670n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Flu...


US Patent US8633183 (2014)


BindingDB Entry DOI: 10.7270/Q2SX6BW4
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM116106
PNG
(US8633183, E-256)
Show SMILES CCc1ncnc(-c2ccc(C(=O)N3CCn4ccnc4C3)c(Cl)c2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C26H22ClN7O/c1-2-22-20(6-3-17-4-8-23(28)30-14-17)25(32-16-31-22)18-5-7-19(21(27)13-18)26(35)34-12-11-33-10-9-29-24(33)15-34/h4-5,7-10,13-14,16H,2,11-12,15H2,1H3,(H2,28,30)
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n/an/a 0.670n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Flu...


US Patent US8633183 (2014)


BindingDB Entry DOI: 10.7270/Q2SX6BW4
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM116037
PNG
(US8633183, E-186)
Show SMILES CCc1ncnc(-c2ccc(C(=O)N3CCC(CC3)N3CCOCC3)c(Cl)c2)c1C#Cc1ccc(NC)nc1
Show InChI InChI=1S/C30H33ClN6O2/c1-3-27-25(7-4-21-5-9-28(32-2)33-19-21)29(35-20-34-27)22-6-8-24(26(31)18-22)30(38)37-12-10-23(11-13-37)36-14-16-39-17-15-36/h5-6,8-9,18-20,23H,3,10-17H2,1-2H3,(H,32,33)
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n/an/a 0.680n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Flu...


US Patent US8633183 (2014)


BindingDB Entry DOI: 10.7270/Q2SX6BW4
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM116140
PNG
(US8633183, E-294)
Show SMILES CCc1ncnc(-c2ccc(C(=O)N3CCN(CC3)C3CCCC3O)c(F)c2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1/C29H31FN6O2/c1-2-24-22(9-6-19-7-11-27(31)32-17-19)28(34-18-33-24)20-8-10-21(23(30)16-20)29(38)36-14-12-35(13-15-36)25-4-3-5-26(25)37/h7-8,10-11,16-18,25-26,37H,2-5,12-15H2,1H3,(H2,31,32)
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n/an/a 0.680n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Flu...


US Patent US8633183 (2014)


BindingDB Entry DOI: 10.7270/Q2SX6BW4
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM116151
PNG
(US8633183, E-305)
Show SMILES CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(CC3)C(C)COC)c(Cl)c2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1/C28H30ClFN6O2/c1-4-24-21(7-5-19-6-8-25(31)32-15-19)27(34-17-33-24)20-13-22(29)26(23(30)14-20)28(37)36-11-9-35(10-12-36)18(2)16-38-3/h6,8,13-15,17-18H,4,9-12,16H2,1-3H3,(H2,31,32)
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n/an/a 0.680n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Flu...


US Patent US8633183 (2014)


BindingDB Entry DOI: 10.7270/Q2SX6BW4
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM116005
PNG
(US8633183, E-154)
Show SMILES CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(CC3)C3CCC3)c(F)c2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C28H28F2N6O/c1-2-24-21(8-6-18-7-9-25(31)32-16-18)27(34-17-33-24)19-14-22(29)26(23(30)15-19)28(37)36-12-10-35(11-13-36)20-4-3-5-20/h7,9,14-17,20H,2-5,10-13H2,1H3,(H2,31,32)
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n/an/a 0.700n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Flu...


US Patent US8633183 (2014)


BindingDB Entry DOI: 10.7270/Q2SX6BW4
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM116006
PNG
(US8633183, E-155)
Show SMILES CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(CCCS(C)(=O)=O)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C28H30ClFN6O3S/c1-3-24-21(7-5-19-6-8-25(31)32-17-19)27(34-18-33-24)20-15-22(29)26(23(30)16-20)28(37)36-12-10-35(11-13-36)9-4-14-40(2,38)39/h6,8,15-18H,3-4,9-14H2,1-2H3,(H2,31,32)
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n/an/a 0.710n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Flu...


US Patent US8633183 (2014)


BindingDB Entry DOI: 10.7270/Q2SX6BW4
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM116094
PNG
(US8633183, E-243)
Show SMILES CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(CCC#N)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C27H25ClFN7O/c1-2-23-20(6-4-18-5-7-24(31)32-16-18)26(34-17-33-23)19-14-21(28)25(22(29)15-19)27(37)36-12-10-35(11-13-36)9-3-8-30/h5,7,14-17H,2-3,9-13H2,1H3,(H2,31,32)
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n/an/a 0.730n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Flu...


US Patent US8633183 (2014)


BindingDB Entry DOI: 10.7270/Q2SX6BW4
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM115998
PNG
(US8633183, E-146)
Show SMILES CCc1ncnc(-c2ccc(C(=O)N3CCN4CCCC[C@@H]4C3)c(F)c2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1/C28H29FN6O/c1-2-25-23(9-6-19-7-11-26(30)31-16-19)27(33-18-32-25)20-8-10-22(24(29)15-20)28(36)35-14-13-34-12-4-3-5-21(34)17-35/h7-8,10-11,15-16,18,21H,2-5,12-14,17H2,1H3,(H2,30,31)/t21-/s2
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n/an/a 0.730n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Flu...


US Patent US8633183 (2014)


BindingDB Entry DOI: 10.7270/Q2SX6BW4
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM115657
PNG
(US8633183, D-32)
Show SMILES CCc1ncnc(-c2ccc(C(=O)N3CCN(CC3)C3CCS(=O)(=O)C3)c(Cl)c2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1/C28H29ClN6O3S/c1-2-25-23(6-3-19-4-8-26(30)31-16-19)27(33-18-32-25)20-5-7-22(24(29)15-20)28(36)35-12-10-34(11-13-35)21-9-14-39(37,38)17-21/h4-5,7-8,15-16,18,21H,2,9-14,17H2,1H3,(H2,30,31)
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n/an/a 0.740n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Flu...


US Patent US8633183 (2014)


BindingDB Entry DOI: 10.7270/Q2SX6BW4
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM116156
PNG
(US8633183, E-310)
Show SMILES CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(CCOCCO)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C28H30ClFN6O3/c1-2-24-21(5-3-19-4-6-25(31)32-17-19)27(34-18-33-24)20-15-22(29)26(23(30)16-20)28(38)36-9-7-35(8-10-36)11-13-39-14-12-37/h4,6,15-18,37H,2,7-14H2,1H3,(H2,31,32)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Flu...


US Patent US8633183 (2014)


BindingDB Entry DOI: 10.7270/Q2SX6BW4
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM115929
PNG
(US8633183, E-73)
Show SMILES CCc1ncnc(-c2ccc(C(=O)N3CC(O)CO3)c(Cl)c2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1/C23H20ClN5O3/c1-2-20-18(6-3-14-4-8-21(25)26-10-14)22(28-13-27-20)15-5-7-17(19(24)9-15)23(31)29-11-16(30)12-32-29/h4-5,7-10,13,16,30H,2,11-12H2,1H3,(H2,25,26)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Flu...


US Patent US8633183 (2014)


BindingDB Entry DOI: 10.7270/Q2SX6BW4
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM116097
PNG
(US8633183, E-247)
Show SMILES CCc1ncnc(-c2ccc(C(=O)N3CCn4c(C)cnc4C3)c(F)c2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C27H24FN7O/c1-3-23-21(7-4-18-5-9-24(29)30-14-18)26(33-16-32-23)19-6-8-20(22(28)12-19)27(36)34-10-11-35-17(2)13-31-25(35)15-34/h5-6,8-9,12-14,16H,3,10-11,15H2,1-2H3,(H2,29,30)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Flu...


US Patent US8633183 (2014)


BindingDB Entry DOI: 10.7270/Q2SX6BW4
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM116110
PNG
(US8633183, E-260)
Show SMILES CCNc1ccc(cn1)C#Cc1c(CC)ncnc1-c1ccc(C(=O)N2CCn3ccnc3C2)c(F)c1
Show InChI InChI=1S/C28H26FN7O/c1-3-24-22(8-5-19-6-10-25(30-4-2)32-16-19)27(34-18-33-24)20-7-9-21(23(29)15-20)28(37)36-14-13-35-12-11-31-26(35)17-36/h6-7,9-12,15-16,18H,3-4,13-14,17H2,1-2H3,(H,30,32)
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n/an/a 0.810n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Flu...


US Patent US8633183 (2014)


BindingDB Entry DOI: 10.7270/Q2SX6BW4
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM115669
PNG
(US8633183, D-44)
Show SMILES CCc1ncnc(-c2ccc(C(=O)N3CCNC(=O)C3)c(Cl)c2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C24H21ClN6O2/c1-2-20-18(6-3-15-4-8-21(26)28-12-15)23(30-14-29-20)16-5-7-17(19(25)11-16)24(33)31-10-9-27-22(32)13-31/h4-5,7-8,11-12,14H,2,9-10,13H2,1H3,(H2,26,28)(H,27,32)
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n/an/a 0.820n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Flu...


US Patent US8633183 (2014)


BindingDB Entry DOI: 10.7270/Q2SX6BW4
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM115667
PNG
(US8633183, D-42)
Show SMILES CCc1ncnc(-c2ccc(C(=O)N3CCN(CC3)C(C)C)c(Cl)c2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C27H29ClN6O/c1-4-24-22(8-5-19-6-10-25(29)30-16-19)26(32-17-31-24)20-7-9-21(23(28)15-20)27(35)34-13-11-33(12-14-34)18(2)3/h6-7,9-10,15-18H,4,11-14H2,1-3H3,(H2,29,30)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Flu...


US Patent US8633183 (2014)


BindingDB Entry DOI: 10.7270/Q2SX6BW4
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM116045
PNG
(US8633183, E-194)
Show SMILES CCc1ncnc(-c2cc(Cl)c(C(=O)N3CCN4CCC[C@H]4C3)c(Cl)c2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1/C27H26Cl2N6O/c1-2-23-20(7-5-17-6-8-24(30)31-14-17)26(33-16-32-23)18-12-21(28)25(22(29)13-18)27(36)35-11-10-34-9-3-4-19(34)15-35/h6,8,12-14,16,19H,2-4,9-11,15H2,1H3,(H2,30,31)/t19-/s2
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n/an/a 0.870n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Flu...


US Patent US8633183 (2014)


BindingDB Entry DOI: 10.7270/Q2SX6BW4
More data for this
Ligand-Target Pair
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