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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°
kJ/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))		BDBM111617
PNG
(US8618111, B-4)
Show SMILES Cc1ncnc(N2CCOCC2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C16H17N5O/c1-12-14(4-2-13-3-5-15(17)18-10-13)16(20-11-19-12)21-6-8-22-9-7-21/h3,5,10-11H,6-9H2,1H3,(H2,17,18)
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n/an/a 38n/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))		BDBM111628
PNG
(US8618111, B-15)
Show SMILES [#6]-[#6]-c1ncnc(-[#7]-2-[#6]-[#6]-[#6](-[#6]-[#6]-2)\[#6]=[#6](\[#6])-[#6])c1C#Cc1ccc(-[#7])nc1
Show InChI InChI=1S/C22H27N5/c1-4-20-19(7-5-18-6-8-21(23)24-14-18)22(26-15-25-20)27-11-9-17(10-12-27)13-16(2)3/h6,8,13-15,17H,4,9-12H2,1-3H3,(H2,23,24)
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n/an/a 64n/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))		BDBM111638
PNG
(US8618111, B-25)
Show SMILES CC(=O)NC1CCN(CC1)c1ncnc(C)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C19H22N6O/c1-13-17(5-3-15-4-6-18(20)21-11-15)19(23-12-22-13)25-9-7-16(8-10-25)24-14(2)26/h4,6,11-12,16H,7-10H2,1-2H3,(H2,20,21)(H,24,26)
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n/an/a 42n/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))		BDBM111641
PNG
(US8618111, B-28)
Show SMILES Cc1ncnc(N2CCC(O)(Cc3ccccc3)CC2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C24H25N5O/c1-18-21(9-7-20-8-10-22(25)26-16-20)23(28-17-27-18)29-13-11-24(30,12-14-29)15-19-5-3-2-4-6-19/h2-6,8,10,16-17,30H,11-15H2,1H3,(H2,25,26)
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n/an/a 50n/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))		BDBM111642
PNG
(US8618111, B-29)
Show SMILES CCc1ncnc(N2CCC(CCO)CC2)c1C#Cc1ccc(C)nc1
Show InChI InChI=1S/C21H26N4O/c1-3-20-19(7-6-18-5-4-16(2)22-14-18)21(24-15-23-20)25-11-8-17(9-12-25)10-13-26/h4-5,14-15,17,26H,3,8-13H2,1-2H3
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n/an/a 67n/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))		BDBM111648
PNG
(US8618111, B-35)
Show SMILES CCc1ncnc(N2CCC(O)(CC2)C(C)C)c1C#Cc1ccc(C)nc1
Show InChI InChI=1S/C22H28N4O/c1-5-20-19(9-8-18-7-6-17(4)23-14-18)21(25-15-24-20)26-12-10-22(27,11-13-26)16(2)3/h6-7,14-16,27H,5,10-13H2,1-4H3
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n/an/a 23n/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))		BDBM111653
PNG
(US8618111, B-40)
Show SMILES CCc1ncnc(N2CCN(CC2)C(C)=O)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C19H22N6O/c1-3-17-16(6-4-15-5-7-18(20)21-12-15)19(23-13-22-17)25-10-8-24(9-11-25)14(2)26/h5,7,12-13H,3,8-11H2,1-2H3,(H2,20,21)
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n/an/a 32n/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))		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
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))		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))		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))		BDBM111701
PNG
(US8618111, E-1)
Show SMILES CN(C)C(=O)CC1CCN(CC1)c1ncnc(C)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C21H26N6O/c1-15-18(6-4-17-5-7-19(22)23-13-17)21(25-14-24-15)27-10-8-16(9-11-27)12-20(28)26(2)3/h5,7,13-14,16H,8-12H2,1-3H3,(H2,22,23)
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n/an/a 45n/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))		BDBM111703
PNG
(US8618111, E-3)
Show SMILES CN(C)CCN(C)C(=O)CC1CCN(CC1)c1ncnc(C)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C24H33N7O/c1-18-21(7-5-20-6-8-22(25)26-16-20)24(28-17-27-18)31-11-9-19(10-12-31)15-23(32)30(4)14-13-29(2)3/h6,8,16-17,19H,9-15H2,1-4H3,(H2,25,26)
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n/an/a 457n/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
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM111720
PNG
(US8618111, G-5)
Show SMILES CCc1ncnc(N2CCN(CC2)C(=O)c2ccccc2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C24H24N6O/c1-2-21-20(10-8-18-9-11-22(25)26-16-18)23(28-17-27-21)29-12-14-30(15-13-29)24(31)19-6-4-3-5-7-19/h3-7,9,11,16-17H,2,12-15H2,1H3,(H2,25,26)
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n/an/a 157n/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))		BDBM111722
PNG
(US8618111, G-7)
Show SMILES CCc1ncnc(N2CCN(CC2)C(=O)c2ccco2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C22H22N6O2/c1-2-18-17(7-5-16-6-8-20(23)24-14-16)21(26-15-25-18)27-9-11-28(12-10-27)22(29)19-4-3-13-30-19/h3-4,6,8,13-15H,2,9-12H2,1H3,(H2,23,24)
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n/an/a 60n/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))		BDBM111724
PNG
(US8618111, G-9)
Show SMILES Cc1ncnc(N2CCN(CC2)C(=O)c2ccno2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C20H19N7O2/c1-14-16(4-2-15-3-5-18(21)22-12-15)19(24-13-23-14)26-8-10-27(11-9-26)20(28)17-6-7-25-29-17/h3,5-7,12-13H,8-11H2,1H3,(H2,21,22)
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n/an/a 55n/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))		BDBM111728
PNG
(US8618111, G-13)
Show SMILES CCc1ncnc(N2CCC3(CCN(CC3)C(=O)NC)CC2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C24H31N7O/c1-3-20-19(6-4-18-5-7-21(25)27-16-18)22(29-17-28-20)30-12-8-24(9-13-30)10-14-31(15-11-24)23(32)26-2/h5,7,16-17H,3,8-15H2,1-2H3,(H2,25,27)(H,26,32)
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n/an/a 35n/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))		BDBM111738
PNG
(US8618111, H-11)
Show SMILES CCc1ncnc(N2CCc3ncncc3C2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C20H19N7/c1-2-17-16(5-3-14-4-6-19(21)23-9-14)20(26-13-25-17)27-8-7-18-15(11-27)10-22-12-24-18/h4,6,9-10,12-13H,2,7-8,11H2,1H3,(H2,21,23)
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n/an/a 27n/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))		BDBM111745
PNG
(US8618111, H-18)
Show SMILES CCc1ncnc(N2CCc3cc(OC)c(OC)cc3C2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C24H25N5O2/c1-4-20-19(7-5-16-6-8-23(25)26-13-16)24(28-15-27-20)29-10-9-17-11-21(30-2)22(31-3)12-18(17)14-29/h6,8,11-13,15H,4,9-10,14H2,1-3H3,(H2,25,26)
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n/an/a 83n/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))		BDBM111749
PNG
(US8618111, H-22)
Show SMILES CCc1ncnc(N2CCN(CC2)c2ccncc2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C22H23N7/c1-2-20-19(5-3-17-4-6-21(23)25-15-17)22(27-16-26-20)29-13-11-28(12-14-29)18-7-9-24-10-8-18/h4,6-10,15-16H,2,11-14H2,1H3,(H2,23,25)
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n/an/a 49n/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))		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 58n/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))		BDBM111650
PNG
(US8618111, B-37)
Show SMILES CCc1ncnc(N2CCC(CC2)OCCOC)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C21H27N5O2/c1-3-19-18(6-4-16-5-7-20(22)23-14-16)21(25-15-24-19)26-10-8-17(9-11-26)28-13-12-27-2/h5,7,14-15,17H,3,8-13H2,1-2H3,(H2,22,23)
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n/an/a 89n/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))		BDBM111662
PNG
(US8618111, B-49)
Show SMILES CCc1ncnc(N2CCCC(CO)C2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C19H23N5O/c1-2-17-16(7-5-14-6-8-18(20)21-10-14)19(23-13-22-17)24-9-3-4-15(11-24)12-25/h6,8,10,13,15,25H,2-4,9,11-12H2,1H3,(H2,20,21)
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n/an/a 73n/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))		BDBM111664
PNG
(US8618111, B-51)
Show SMILES CCc1ncnc(N2CCN(CC2)C2CC2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C20H24N6/c1-2-18-17(7-3-15-4-8-19(21)22-13-15)20(24-14-23-18)26-11-9-25(10-12-26)16-5-6-16/h4,8,13-14,16H,2,5-6,9-12H2,1H3,(H2,21,22)
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n/an/a 86n/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))		BDBM111665
PNG
(US8618111, B-52)
Show SMILES CCc1ncnc(N2CCS(=O)CC2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C17H19N5OS/c1-2-15-14(5-3-13-4-6-16(18)19-11-13)17(21-12-20-15)22-7-9-24(23)10-8-22/h4,6,11-12H,2,7-10H2,1H3,(H2,18,19)
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n/an/a 104n/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))		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 380n/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))		BDBM111669
PNG
(US8618111, B-56)
Show SMILES CCc1ncnc(N2CCN(C)CC2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C18H22N6/c1-3-16-15(6-4-14-5-7-17(19)20-12-14)18(22-13-21-16)24-10-8-23(2)9-11-24/h5,7,12-13H,3,8-11H2,1-2H3,(H2,19,20)
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n/an/a 1.55E+3n/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))		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))		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 43n/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))		BDBM111684
PNG
(US8618111, B-71)
Show SMILES CCc1ncnc(N2CCCC(CO)C2)c1C#Cc1ccc(C)nc1
Show InChI InChI=1S/C20H24N4O/c1-3-19-18(9-8-16-7-6-15(2)21-11-16)20(23-14-22-19)24-10-4-5-17(12-24)13-25/h6-7,11,14,17,25H,3-5,10,12-13H2,1-2H3
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n/an/a 90n/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))		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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n/an/a 53n/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))		BDBM111708
PNG
(US8618111, E-8)
Show SMILES CN(C)CCNC(=O)CC1CCN(CC1)c1ncnc(C)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C23H31N7O/c1-17-20(6-4-19-5-7-21(24)26-15-19)23(28-16-27-17)30-11-8-18(9-12-30)14-22(31)25-10-13-29(2)3/h5,7,15-16,18H,8-14H2,1-3H3,(H2,24,26)(H,25,31)
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n/an/a 149n/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))		BDBM111716
PNG
(US8618111, G-1)
Show SMILES CCc1ncnc(N2CCN(CC2)C(=O)NC)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C19H23N7O/c1-3-16-15(6-4-14-5-7-17(20)22-12-14)18(24-13-23-16)25-8-10-26(11-9-25)19(27)21-2/h5,7,12-13H,3,8-11H2,1-2H3,(H2,20,22)(H,21,27)
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n/an/a 33n/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))		BDBM111733
PNG
(US8618111, H-5)
Show SMILES CCc1ncnc(N2CCN(CC2)C(C)C)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C20H26N6/c1-4-18-17(7-5-16-6-8-19(21)22-13-16)20(24-14-23-18)26-11-9-25(10-12-26)15(2)3/h6,8,13-15H,4,9-12H2,1-3H3,(H2,21,22)
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n/an/a 745n/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))		BDBM111736
PNG
(US8618111, H-8)
Show SMILES CCc1ncnc(N2CCN(CCN3CCOCC3)CC2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C23H31N7O/c1-2-21-20(5-3-19-4-6-22(24)25-17-19)23(27-18-26-21)30-11-9-28(10-12-30)7-8-29-13-15-31-16-14-29/h4,6,17-18H,2,7-16H2,1H3,(H2,24,25)
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n/an/a 185n/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))		BDBM111744
PNG
(US8618111, H-17)
Show SMILES CCc1ncnc(N2CCc3ccccc3C2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C22H21N5/c1-2-20-19(9-7-16-8-10-21(23)24-13-16)22(26-15-25-20)27-12-11-17-5-3-4-6-18(17)14-27/h3-6,8,10,13,15H,2,11-12,14H2,1H3,(H2,23,24)
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n/an/a 56n/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))		BDBM111755
PNG
(US8618111, H-28)
Show SMILES CCc1ncnc(N2CCN(Cc3nc(C)c(C)o3)CC2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C23H27N7O/c1-4-20-19(7-5-18-6-8-21(24)25-13-18)23(27-15-26-20)30-11-9-29(10-12-30)14-22-28-16(2)17(3)31-22/h6,8,13,15H,4,9-12,14H2,1-3H3,(H2,24,25)
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n/an/a 232n/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))		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 53n/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))		BDBM111689
PNG
(US8618111, B-76)
Show SMILES Cc1cnc2CN(CCn12)c1ncnc(C)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C19H19N7/c1-13-9-22-18-11-25(7-8-26(13)18)19-16(14(2)23-12-24-19)5-3-15-4-6-17(20)21-10-15/h4,6,9-10,12H,7-8,11H2,1-2H3,(H2,20,21)
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n/an/a 60n/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))		BDBM111691
PNG
(US8618111, B-78)
Show SMILES CCc1ncnc(N2CCn3c(C)cnc3C2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C20H21N7/c1-3-17-16(6-4-15-5-7-18(21)22-11-15)20(25-13-24-17)26-8-9-27-14(2)10-23-19(27)12-26/h5,7,10-11,13H,3,8-9,12H2,1-2H3,(H2,21,22)
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n/an/a 72n/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))		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 39n/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))		BDBM111724
PNG
(US8618111, G-9)
Show SMILES Cc1ncnc(N2CCN(CC2)C(=O)c2ccno2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C20H19N7O2/c1-14-16(4-2-15-3-5-18(21)22-12-15)19(24-13-23-14)26-8-10-27(11-9-26)20(28)17-6-7-25-29-17/h3,5-7,12-13H,8-11H2,1H3,(H2,21,22)
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n/an/a 39n/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))		BDBM111726
PNG
(US8618111, G-11)
Show SMILES CCc1ncnc(N2CCC3(CCN(CC3)C(C)=O)CC2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C24H30N6O/c1-3-21-20(6-4-19-5-7-22(25)26-16-19)23(28-17-27-21)30-14-10-24(11-15-30)8-12-29(13-9-24)18(2)31/h5,7,16-17H,3,8-15H2,1-2H3,(H2,25,26)
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n/an/a 36n/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))		BDBM111621
PNG
(US8618111, B-8)
Show SMILES CN1CCN(CC1)c1ncnc(C)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C17H20N6/c1-13-15(5-3-14-4-6-16(18)19-11-14)17(21-12-20-13)23-9-7-22(2)8-10-23/h4,6,11-12H,7-10H2,1-2H3,(H2,18,19)
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n/an/a 56n/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))		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
Displayed 1 to 50 (of 284 total )  |  Next  |  Last  >>
* indicates data uncertainty>20%