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Patent code US8618111

Compile Data Set for Download or QSAR

Found 284 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
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
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM111632
PNG
(US8618111, B-19)
Show SMILES CCc1ncnc(N2CCC(O)(CC2)C(F)(F)F)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C19H20F3N5O/c1-2-15-14(5-3-13-4-6-16(23)24-11-13)17(26-12-25-15)27-9-7-18(28,8-10-27)19(20,21)22/h4,6,11-12,28H,2,7-10H2,1H3,(H2,23,24)
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n/an/a 1n/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
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM111645
PNG
(US8618111, B-32)
Show SMILES Cc1ncnc(N2CCC(O)(CC2)C(F)(F)F)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C18H18F3N5O/c1-12-14(4-2-13-3-5-15(22)23-10-13)16(25-11-24-12)26-8-6-17(27,7-9-26)18(19,20)21/h3,5,10-11,27H,6-9H2,1H3,(H2,22,23)
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n/an/a 3n/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
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM111647
PNG
(US8618111, B-34)
Show SMILES CCc1ncnc(N2CCC(O)(CC)CC2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C20H25N5O/c1-3-17-16(7-5-15-6-8-18(21)22-13-15)19(24-14-23-17)25-11-9-20(26,4-2)10-12-25/h6,8,13-14,26H,3-4,9-12H2,1-2H3,(H2,21,22)
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n/an/a 4n/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
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM111635
PNG
(US8618111, B-22)
Show SMILES CCc1ncnc(N2CCC3(CC2)OCCO3)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C20H23N5O2/c1-2-17-16(5-3-15-4-6-18(21)22-13-15)19(24-14-23-17)25-9-7-20(8-10-25)26-11-12-27-20/h4,6,13-14H,2,7-12H2,1H3,(H2,21,22)
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n/an/a 4n/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
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM111674
PNG
(US8618111, B-61)
Show SMILES CCc1ncnc(N2CCC3(CC2)OCCCO3)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C21H25N5O2/c1-2-18-17(6-4-16-5-7-19(22)23-14-16)20(25-15-24-18)26-10-8-21(9-11-26)27-12-3-13-28-21/h5,7,14-15H,2-3,8-13H2,1H3,(H2,22,23)
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n/an/a 4n/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
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM111636
PNG
(US8618111, B-23 | US8618111, B-47)
Show SMILES CCc1ncnc(N2CCC(C)(O)CC2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C19H23N5O/c1-3-16-15(6-4-14-5-7-17(20)21-12-14)18(23-13-22-16)24-10-8-19(2,25)9-11-24/h5,7,12-13,25H,3,8-11H2,1-2H3,(H2,20,21)
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n/an/a 5n/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
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM111672
PNG
(US8618111, B-59)
Show SMILES CCc1ncnc(N2CCC(C)(CC2)OC)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C20H25N5O/c1-4-17-16(7-5-15-6-8-18(21)22-13-15)19(24-14-23-17)25-11-9-20(2,26-3)10-12-25/h6,8,13-14H,4,9-12H2,1-3H3,(H2,21,22)
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n/an/a 5n/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
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM111695
PNG
(US8618111, B-82)
Show SMILES CCc1ncnc(N2CCC3(CC2)CC(=O)NC(=O)C3)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C22H24N6O2/c1-2-17-16(5-3-15-4-6-18(23)24-13-15)21(26-14-25-17)28-9-7-22(8-10-28)11-19(29)27-20(30)12-22/h4,6,13-14H,2,7-12H2,1H3,(H2,23,24)(H,27,29,30)
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n/an/a 5n/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
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM111679
PNG
(US8618111, B-66)
Show SMILES CC(C)C1(O)CCN(CC1)c1ncnc(C)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C20H25N5O/c1-14(2)20(26)8-10-25(11-9-20)19-17(15(3)23-13-24-19)6-4-16-5-7-18(21)22-12-16/h5,7,12-14,26H,8-11H2,1-3H3,(H2,21,22)
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n/an/a 5n/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
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM111649
PNG
(US8618111, B-36)
Show SMILES CCC1(O)CCN(CC1)c1ncnc(C)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C19H23N5O/c1-3-19(25)8-10-24(11-9-19)18-16(14(2)22-13-23-18)6-4-15-5-7-17(20)21-12-15/h5,7,12-13,25H,3,8-11H2,1-2H3,(H2,20,21)
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n/an/a 5n/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
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM111631
PNG
(US8618111, B-18)
Show SMILES CCc1ncnc(N2CCC(CCO)CC2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C20H25N5O/c1-2-18-17(5-3-16-4-6-19(21)22-13-16)20(24-14-23-18)25-10-7-15(8-11-25)9-12-26/h4,6,13-15,26H,2,7-12H2,1H3,(H2,21,22)
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n/an/a 5n/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
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM111673
PNG
(US8618111, B-60)
Show SMILES Cc1ncnc(N2CCC3(CC2)OCCCO3)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C20H23N5O2/c1-15-17(5-3-16-4-6-18(21)22-13-16)19(24-14-23-15)25-9-7-20(8-10-25)26-11-2-12-27-20/h4,6,13-14H,2,7-12H2,1H3,(H2,21,22)
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n/an/a 6n/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
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM111636
PNG
(US8618111, B-23 | US8618111, B-47)
Show SMILES CCc1ncnc(N2CCC(C)(O)CC2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C19H23N5O/c1-3-16-15(6-4-14-5-7-17(20)21-12-14)18(23-13-22-16)24-10-8-19(2,25)9-11-24/h5,7,12-13,25H,3,8-11H2,1-2H3,(H2,20,21)
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n/an/a 7n/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
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM111629
PNG
(US8618111, B-16)
Show SMILES CCc1ncnc(N2CCC(O)(CC2)c2ccccc2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C24H25N5O/c1-2-21-20(10-8-18-9-11-22(25)26-16-18)23(28-17-27-21)29-14-12-24(30,13-15-29)19-6-4-3-5-7-19/h3-7,9,11,16-17,30H,2,12-15H2,1H3,(H2,25,26)
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n/an/a 7n/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
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM111624
PNG
(US8618111, B-11)
Show SMILES CCc1ncnc(N2CCC(CC2)C(C)(C)O)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C21H27N5O/c1-4-18-17(7-5-15-6-8-19(22)23-13-15)20(25-14-24-18)26-11-9-16(10-12-26)21(2,3)27/h6,8,13-14,16,27H,4,9-12H2,1-3H3,(H2,22,23)
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n/an/a 7n/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
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM111694
PNG
(US8618111, B-81)
Show SMILES CCc1ncnc(N2CCN(CC(C)(C)O)CC2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C21H28N6O/c1-4-18-17(7-5-16-6-8-19(22)23-13-16)20(25-15-24-18)27-11-9-26(10-12-27)14-21(2,3)28/h6,8,13,15,28H,4,9-12,14H2,1-3H3,(H2,22,23)
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n/an/a 7n/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
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM111690
PNG
(US8618111, B-77)
Show SMILES CCc1ncnc(N2CCC3(CCN(C)C3=O)CC2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C22H26N6O/c1-3-18-17(6-4-16-5-7-19(23)24-14-16)20(26-15-25-18)28-12-9-22(10-13-28)8-11-27(2)21(22)29/h5,7,14-15H,3,8-13H2,1-2H3,(H2,23,24)
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n/an/a 8n/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
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM111699
PNG
(US8618111, B-86)
Show SMILES CCc1ncnc(N2CCC(CC2)OC)c1C#Cc1ccc(NC)nc1
Show InChI InChI=1S/C20H25N5O/c1-4-18-17(7-5-15-6-8-19(21-2)22-13-15)20(24-14-23-18)25-11-9-16(26-3)10-12-25/h6,8,13-14,16H,4,9-12H2,1-3H3,(H,21,22)
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n/an/a 9n/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
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM111654
PNG
(US8618111, B-41)
Show SMILES CCc1ncnc(N2CCC(CC2)C(F)(F)F)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C19H20F3N5/c1-2-16-15(5-3-13-4-6-17(23)24-11-13)18(26-12-25-16)27-9-7-14(8-10-27)19(20,21)22/h4,6,11-12,14H,2,7-10H2,1H3,(H2,23,24)
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n/an/a 9n/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
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM111627
PNG
(US8618111, B-14)
Show SMILES CCc1ncnc(N2CCC(CC(C)(C)O)CC2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C22H29N5O/c1-4-19-18(7-5-17-6-8-20(23)24-14-17)21(26-15-25-19)27-11-9-16(10-12-27)13-22(2,3)28/h6,8,14-16,28H,4,9-13H2,1-3H3,(H2,23,24)
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n/an/a 9n/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
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM111643
PNG
(US8618111, B-30)
Show SMILES Cc1ncnc(N2CCC(CCO)CC2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C19H23N5O/c1-14-17(4-2-16-3-5-18(20)21-12-16)19(23-13-22-14)24-9-6-15(7-10-24)8-11-25/h3,5,12-13,15,25H,6-11H2,1H3,(H2,20,21)
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n/an/a 9n/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
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM111618
PNG
(US8618111, B-5)
Show SMILES Cc1ncnc(N2CCN(CC2)C2CC2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C19H22N6/c1-14-17(6-2-15-3-7-18(20)21-12-15)19(23-13-22-14)25-10-8-24(9-11-25)16-4-5-16/h3,7,12-13,16H,4-5,8-11H2,1H3,(H2,20,21)
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n/an/a 10n/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
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM111657
PNG
(US8618111, B-44)
Show SMILES CCc1ncnc(N2CCC(CC2)OC)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C19H23N5O/c1-3-17-16(6-4-14-5-7-18(20)21-12-14)19(23-13-22-17)24-10-8-15(25-2)9-11-24/h5,7,12-13,15H,3,8-11H2,1-2H3,(H2,20,21)
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n/an/a 10n/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
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM111639
PNG
(US8618111, B-26)
Show SMILES Cc1ncnc(N2CCC3(CC2)OCCO3)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C19H21N5O2/c1-14-16(4-2-15-3-5-17(20)21-12-15)18(23-13-22-14)24-8-6-19(7-9-24)25-10-11-26-19/h3,5,12-13H,6-11H2,1H3,(H2,20,21)
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n/an/a 10n/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
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM111677
PNG
(US8618111, B-64)
Show SMILES CCc1ncnc(N2CCC(O)C(C)C2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C19H23N5O/c1-3-16-15(6-4-14-5-7-18(20)21-10-14)19(23-12-22-16)24-9-8-17(25)13(2)11-24/h5,7,10,12-13,17,25H,3,8-9,11H2,1-2H3,(H2,20,21)
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n/an/a 10n/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
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM111688
PNG
(US8618111, B-75)
Show SMILES CN1CCC2(CCN(CC2)c2ncnc(C)c2C#Cc2ccc(N)nc2)C1=O
Show InChI InChI=1S/C21H24N6O/c1-15-17(5-3-16-4-6-18(22)23-13-16)19(25-14-24-15)27-11-8-21(9-12-27)7-10-26(2)20(21)28/h4,6,13-14H,7-12H2,1-2H3,(H2,22,23)
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n/an/a 10n/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
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM111658
PNG
(US8618111, B-45)
Show SMILES CCc1ncnc(N2CCC(CO)CC2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C19H23N5O/c1-2-17-16(5-3-14-4-6-18(20)21-11-14)19(23-13-22-17)24-9-7-15(12-25)8-10-24/h4,6,11,13,15,25H,2,7-10,12H2,1H3,(H2,20,21)
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n/an/a 10n/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
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM111622
PNG
(US8618111, B-9)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1ncnc(C)c1C#Cc1ccc(N)nc1 |r|
Show InChI InChI=1S/C18H21N5O/c1-12-9-23(10-13(2)24-12)18-16(14(3)21-11-22-18)6-4-15-5-7-17(19)20-8-15/h5,7-8,11-13H,9-10H2,1-3H3,(H2,19,20)/t12-,13+
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n/an/a 11n/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
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM111666
PNG
(US8618111, B-53)
Show SMILES CCc1ncnc(N2CCS(=O)(=O)CC2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C17H19N5O2S/c1-2-15-14(5-3-13-4-6-16(18)19-11-13)17(21-12-20-15)22-7-9-25(23,24)10-8-22/h4,6,11-12H,2,7-10H2,1H3,(H2,18,19)
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n/an/a 12n/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
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM111667
PNG
(US8618111, B-54)
Show SMILES CCc1ncnc(N2CCNC(=O)CC2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C18H20N6O/c1-2-15-14(5-3-13-4-6-16(19)21-11-13)18(23-12-22-15)24-9-7-17(25)20-8-10-24/h4,6,11-12H,2,7-10H2,1H3,(H2,19,21)(H,20,25)
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n/an/a 14n/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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM111673
PNG
(US8618111, B-60)
Show SMILES Cc1ncnc(N2CCC3(CC2)OCCCO3)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C20H23N5O2/c1-15-17(5-3-16-4-6-18(21)22-13-16)19(24-14-23-15)25-9-7-20(8-10-25)26-11-2-12-27-20/h4,6,13-14H,2,7-12H2,1H3,(H2,21,22)
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n/an/a 14n/an/an/an/a7.50



Boehringer Ingelheim International GmbH

US Patent


Assay Description
PI3Kalpha assay described herein provides IC50 values indicating the activity of the compounds inhibiting PI3 kinase alpha activity Inhibition of PI3...

US Patent US8618111 (2013)


BindingDB Entry DOI: 10.7270/Q2FX7838
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM111643
PNG
(US8618111, B-30)
Show SMILES Cc1ncnc(N2CCC(CCO)CC2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C19H23N5O/c1-14-17(4-2-16-3-5-18(20)21-12-16)19(23-13-22-14)24-9-6-15(7-10-24)8-11-25/h3,5,12-13,15,25H,6-11H2,1H3,(H2,20,21)
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n/an/a 14n/an/an/an/a7.50



Boehringer Ingelheim International GmbH

US Patent


Assay Description
PI3Kalpha assay described herein provides IC50 values indicating the activity of the compounds inhibiting PI3 kinase alpha activity Inhibition of PI3...

US Patent US8618111 (2013)


BindingDB Entry DOI: 10.7270/Q2FX7838
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM111752
PNG
(US8618111, H-25)
Show SMILES CCc1ncnc(N2CCN(CC2)c2ncccn2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C21H22N8/c1-2-18-17(6-4-16-5-7-19(22)25-14-16)20(27-15-26-18)28-10-12-29(13-11-28)21-23-8-3-9-24-21/h3,5,7-9,14-15H,2,10-13H2,1H3,(H2,22,25)
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n/an/a 14n/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
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM111661
PNG
(US8618111, B-48)
Show SMILES CCc1ncnc(N2CCC(O)CC2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C18H21N5O/c1-2-16-15(5-3-13-4-6-17(19)20-11-13)18(22-12-21-16)23-9-7-14(24)8-10-23/h4,6,11-12,14,24H,2,7-10H2,1H3,(H2,19,20)
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n/an/a 14n/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
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM111750
PNG
(US8618111, H-23)
Show SMILES CCc1ncnc(N2CCN(CC2)c2cccnc2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C22H23N7/c1-2-20-19(7-5-17-6-8-21(23)25-14-17)22(27-16-26-20)29-12-10-28(11-13-29)18-4-3-9-24-15-18/h3-4,6,8-9,14-16H,2,10-13H2,1H3,(H2,23,25)
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n/an/a 14n/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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(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 15n/an/an/an/a7.50



Boehringer Ingelheim International GmbH

US Patent


Assay Description
PI3Kalpha assay described herein provides IC50 values indicating the activity of the compounds inhibiting PI3 kinase alpha activity Inhibition of PI3...

US Patent US8618111 (2013)


BindingDB Entry DOI: 10.7270/Q2FX7838
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM111734
PNG
(US8618111, H-6)
Show SMILES CCc1ncnc(N2CCC3(COC3)CC2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C20H23N5O/c1-2-17-16(5-3-15-4-6-18(21)22-11-15)19(24-14-23-17)25-9-7-20(8-10-25)12-26-13-20/h4,6,11,14H,2,7-10,12-13H2,1H3,(H2,21,22)
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n/an/a 15n/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
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM111709
PNG
(US8618111, F-1)
Show SMILES CC(=O)NCC1CCN(CC1)c1ncnc(C)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C20H24N6O/c1-14-18(5-3-16-4-6-19(21)23-12-16)20(25-13-24-14)26-9-7-17(8-10-26)11-22-15(2)27/h4,6,12-13,17H,7-11H2,1-2H3,(H2,21,23)(H,22,27)
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n/an/a 15n/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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM111647
PNG
(US8618111, B-34)
Show SMILES CCc1ncnc(N2CCC(O)(CC)CC2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C20H25N5O/c1-3-17-16(7-5-15-6-8-18(21)22-13-15)19(24-14-23-17)25-11-9-20(26,4-2)10-12-25/h6,8,13-14,26H,3-4,9-12H2,1-2H3,(H2,21,22)
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n/an/a 15n/an/an/an/a7.50



Boehringer Ingelheim International GmbH

US Patent


Assay Description
PI3Kalpha assay described herein provides IC50 values indicating the activity of the compounds inhibiting PI3 kinase alpha activity Inhibition of PI3...

US Patent US8618111 (2013)


BindingDB Entry DOI: 10.7270/Q2FX7838
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM111659
PNG
(US8618111, B-46)
Show SMILES CCOC1CCN(CC1)c1ncnc(CC)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C20H25N5O/c1-3-18-17(7-5-15-6-8-19(21)22-13-15)20(24-14-23-18)25-11-9-16(10-12-25)26-4-2/h6,8,13-14,16H,3-4,9-12H2,1-2H3,(H2,21,22)
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n/an/a 16n/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
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM111633
PNG
(US8618111, B-20)
Show SMILES CCc1ncnc(N2CCCC(C2)NC(C)=O)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C20H24N6O/c1-3-18-17(8-6-15-7-9-19(21)22-11-15)20(24-13-23-18)26-10-4-5-16(12-26)25-14(2)27/h7,9,11,13,16H,3-5,10,12H2,1-2H3,(H2,21,22)(H,25,27)
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n/an/a 16n/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
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM111711
PNG
(US8618111, F-3)
Show SMILES Cc1ncnc(N2CCC(CNC(=O)CC3CCCC3)CC2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C25H32N6O/c1-18-22(8-6-20-7-9-23(26)27-15-20)25(30-17-29-18)31-12-10-21(11-13-31)16-28-24(32)14-19-4-2-3-5-19/h7,9,15,17,19,21H,2-5,10-14,16H2,1H3,(H2,26,27)(H,28,32)
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n/an/a 16n/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
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM111656
PNG
(US8618111, B-43)
Show SMILES CCc1ncnc(N2CCN(CC2)S(C)(=O)=O)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C18H22N6O2S/c1-3-16-15(6-4-14-5-7-17(19)20-12-14)18(22-13-21-16)23-8-10-24(11-9-23)27(2,25)26/h5,7,12-13H,3,8-11H2,1-2H3,(H2,19,20)
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n/an/a 16n/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
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM111625
PNG
(US8618111, B-12)
Show SMILES CCc1ncnc(N2CCC(O)(CC2)C2CCCCC2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C24H31N5O/c1-2-21-20(10-8-18-9-11-22(25)26-16-18)23(28-17-27-21)29-14-12-24(30,13-15-29)19-6-4-3-5-7-19/h9,11,16-17,19,30H,2-7,12-15H2,1H3,(H2,25,26)
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n/an/a 16n/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
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM111626
PNG
(US8618111, B-13)
Show SMILES Cc1ncnc(N2CCC(CC(C)(C)O)CC2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C21H27N5O/c1-15-18(6-4-17-5-7-19(22)23-13-17)20(25-14-24-15)26-10-8-16(9-11-26)12-21(2,3)27/h5,7,13-14,16,27H,8-12H2,1-3H3,(H2,22,23)
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US Patent
n/an/a 18n/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
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM111741
PNG
(US8618111, H-14)
Show SMILES CCc1ncnc(N2CCN(CCNS(C)(=O)=O)CC2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C20H27N7O2S/c1-3-18-17(6-4-16-5-7-19(21)22-14-16)20(24-15-23-18)27-12-10-26(11-13-27)9-8-25-30(2,28)29/h5,7,14-15,25H,3,8-13H2,1-2H3,(H2,21,22)
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US Patent
n/an/a 18n/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
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM111713
PNG
(US8618111, F-5)
Show SMILES COCCC(=O)NCC1CCN(CC1)c1ncnc(C)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C22H28N6O2/c1-16-19(5-3-17-4-6-20(23)24-13-17)22(27-15-26-16)28-10-7-18(8-11-28)14-25-21(29)9-12-30-2/h4,6,13,15,18H,7-12,14H2,1-2H3,(H2,23,24)(H,25,29)
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n/an/a 18n/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
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM111692
PNG
(US8618111, B-79)
Show SMILES Cc1ncnc(N2CCN(CC(C)(C)O)CC2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C20H26N6O/c1-15-17(6-4-16-5-7-18(21)22-12-16)19(24-14-23-15)26-10-8-25(9-11-26)13-20(2,3)27/h5,7,12,14,27H,8-11,13H2,1-3H3,(H2,21,22)
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US Patent
n/an/a 18n/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
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM111651
PNG
(US8618111, B-38)
Show SMILES COC1CCN(CC1)c1ncnc(C)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C18H21N5O/c1-13-16(5-3-14-4-6-17(19)20-11-14)18(22-12-21-13)23-9-7-15(24-2)8-10-23/h4,6,11-12,15H,7-10H2,1-2H3,(H2,19,20)
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US Patent
n/an/a 18n/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
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* indicates data uncertainty>20%