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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))		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))		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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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))		BDBM111634
PNG
(US8618111, B-21)
Show SMILES CCc1ncnc(N2CCC(CC2)NC(C)=O)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C20H24N6O/c1-3-18-17(6-4-15-5-7-19(21)22-12-15)20(24-13-23-18)26-10-8-16(9-11-26)25-14(2)27/h5,7,12-13,16H,3,8-11H2,1-2H3,(H2,21,22)(H,25,27)
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n/an/a 19n/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))		BDBM111637
PNG
(US8618111, B-24)
Show SMILES CC(=O)NC1CCCN(C1)c1ncnc(C)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C19H22N6O/c1-13-17(7-5-15-6-8-18(20)21-10-15)19(23-12-22-13)25-9-3-4-16(11-25)24-14(2)26/h6,8,10,12,16H,3-4,9,11H2,1-2H3,(H2,20,21)(H,24,26)
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n/an/a 46n/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))		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 28n/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))		BDBM111683
PNG
(US8618111, B-70)
Show SMILES CCc1ncnc(N2CCC(O)CC2)c1C#Cc1ccc(C)nc1
Show InChI InChI=1S/C19H22N4O/c1-3-18-17(7-6-15-5-4-14(2)20-12-15)19(22-13-21-18)23-10-8-16(24)9-11-23/h4-5,12-13,16,24H,3,8-11H2,1-2H3
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n/an/a 141n/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))		BDBM111702
PNG
(US8618111, E-2)
Show SMILES CN1CCN(CC1)C(=O)CC1CCN(CC1)c1ncnc(C)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C24H31N7O/c1-18-21(5-3-20-4-6-22(25)26-16-20)24(28-17-27-18)31-9-7-19(8-10-31)15-23(32)30-13-11-29(2)12-14-30/h4,6,16-17,19H,7-15H2,1-2H3,(H2,25,26)
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n/an/a 366n/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))		BDBM111723
PNG
(US8618111, G-8)
Show SMILES Cc1ncnc(N2CCN(CC2)C(=O)C2CCC2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C21H24N6O/c1-15-18(7-5-16-6-8-19(22)23-13-16)20(25-14-24-15)26-9-11-27(12-10-26)21(28)17-3-2-4-17/h6,8,13-14,17H,2-4,9-12H2,1H3,(H2,22,23)
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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))		BDBM111725
PNG
(US8618111, G-10)
Show SMILES Cc1ccc(o1)C(=O)N1CCN(CC1)c1ncnc(C)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C22H22N6O2/c1-15-3-7-19(30-15)22(29)28-11-9-27(10-12-28)21-18(16(2)25-14-26-21)6-4-17-5-8-20(23)24-13-17/h3,5,7-8,13-14H,9-12H2,1-2H3,(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))		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 127n/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))		BDBM111737
PNG
(US8618111, H-9)
Show SMILES CCc1ncnc(N2CCN(CC2)C2CCN(C)CC2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C23H31N7/c1-3-21-20(6-4-18-5-7-22(24)25-16-18)23(27-17-26-21)30-14-12-29(13-15-30)19-8-10-28(2)11-9-19/h5,7,16-17,19H,3,8-15H2,1-2H3,(H2,24,25)
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n/an/a 1.57E+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))		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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM111616
PNG
(US8618111, B-3)
Show SMILES Cc1ncnc(N2CCS(=O)CC2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C16H17N5OS/c1-12-14(4-2-13-3-5-15(17)18-10-13)16(20-11-19-12)21-6-8-23(22)9-7-21/h3,5,10-11H,6-9H2,1H3,(H2,17,18)
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n/an/a 199n/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))		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 26n/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))		BDBM111670
PNG
(US8618111, B-57)
Show SMILES CCc1ncnc(N2CCOCC2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C17H19N5O/c1-2-15-14(5-3-13-4-6-16(18)19-11-13)17(21-12-20-15)22-7-9-23-10-8-22/h4,6,11-12H,2,7-10H2,1H3,(H2,18,19)
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n/an/a 46n/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))		BDBM111714
PNG
(US8618111, F-6)
Show SMILES Cc1ncnc(N2CCC(CNC(=O)C3CCCCC3)CC2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C25H32N6O/c1-18-22(9-7-19-8-10-23(26)27-15-19)24(30-17-29-18)31-13-11-20(12-14-31)16-28-25(32)21-5-3-2-4-6-21/h8,10,15,17,20-21H,2-6,11-14,16H2,1H3,(H2,26,27)(H,28,32)
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n/an/a 51n/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))		BDBM111721
PNG
(US8618111, G-6)
Show SMILES CCc1ncnc(N2CCN(CC2)C(=O)OC)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C19H22N6O2/c1-3-16-15(6-4-14-5-7-17(20)21-12-14)18(23-13-22-16)24-8-10-25(11-9-24)19(26)27-2/h5,7,12-13H,3,8-11H2,1-2H3,(H2,20,21)
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n/an/a 52n/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))		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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM111685
PNG
(US8618111, B-72)
Show SMILES CCc1ncnc(N2CCC(CO)CC2)c1C#Cc1ccc(C)nc1
Show InChI InChI=1S/C20H24N4O/c1-3-19-18(7-6-16-5-4-15(2)21-12-16)20(23-14-22-19)24-10-8-17(13-25)9-11-24/h4-5,12,14,17,25H,3,8-11,13H2,1-2H3
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n/an/a 134n/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))		BDBM111735
PNG
(US8618111, H-7)
Show SMILES CCc1ncnc(N2CCn3c(COC)nnc3C2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C20H22N8O/c1-3-16-15(6-4-14-5-7-17(21)22-10-14)20(24-13-23-16)27-8-9-28-18(11-27)25-26-19(28)12-29-2/h5,7,10,13H,3,8-9,11-12H2,1-2H3,(H2,21,22)
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n/an/a 97n/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))		BDBM111616
PNG
(US8618111, B-3)
Show SMILES Cc1ncnc(N2CCS(=O)CC2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C16H17N5OS/c1-12-14(4-2-13-3-5-15(17)18-10-13)16(20-11-19-12)21-6-8-23(22)9-7-21/h3,5,10-11H,6-9H2,1H3,(H2,17,18)
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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))		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))		BDBM111668
PNG
(US8618111, B-55)
Show SMILES CCc1ncnc(N2CCN(CCOC)CC2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C20H26N6O/c1-3-18-17(6-4-16-5-7-19(21)22-14-16)20(24-15-23-18)26-10-8-25(9-11-26)12-13-27-2/h5,7,14-15H,3,8-13H2,1-2H3,(H2,21,22)
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n/an/a 26n/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))		BDBM111670
PNG
(US8618111, B-57)
Show SMILES CCc1ncnc(N2CCOCC2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C17H19N5O/c1-2-15-14(5-3-13-4-6-16(18)19-11-13)17(21-12-20-15)22-7-9-23-10-8-22/h4,6,11-12H,2,7-10H2,1H3,(H2,18,19)
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n/an/a 93n/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))		BDBM111675
PNG
(US8618111, B-62)
Show SMILES CCc1ncnc(N2CCC(=O)CC2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C18H19N5O/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/h4,6,11-12H,2,7-10H2,1H3,(H2,19,20)
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n/an/a 28n/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))		BDBM111680
PNG
(US8618111, B-67)
Show SMILES CC1CN(CCC1O)c1ncnc(C)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C18H21N5O/c1-12-10-23(8-7-16(12)24)18-15(13(2)21-11-22-18)5-3-14-4-6-17(19)20-9-14/h4,6,9,11-12,16,24H,7-8,10H2,1-2H3,(H2,19,20)
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n/an/a 43n/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))		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 108n/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))		BDBM111693
PNG
(US8618111, B-80)
Show SMILES CN1CCC2(CC1)CCN(CC2)c1ncnc(C)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C22H28N6/c1-17-19(5-3-18-4-6-20(23)24-15-18)21(26-16-25-17)28-13-9-22(10-14-28)7-11-27(2)12-8-22/h4,6,15-16H,7-14H2,1-2H3,(H2,23,24)
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n/an/a 25n/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))		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 68n/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))		BDBM111619
PNG
(US8618111, B-6)
Show SMILES Cc1ncnc(N2CCCOCC2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C17H19N5O/c1-13-15(5-3-14-4-6-16(18)19-11-14)17(21-12-20-13)22-7-2-9-23-10-8-22/h4,6,11-12H,2,7-10H2,1H3,(H2,18,19)
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n/an/a 246n/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))		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 35n/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))		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 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))		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))		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))		BDBM111686
PNG
(US8618111, B-73)
Show SMILES CCc1ncnc(N2CCC(C)(O)CC2)c1C#Cc1ccc(C)nc1
Show InChI InChI=1S/C20H24N4O/c1-4-18-17(8-7-16-6-5-15(2)21-13-16)19(23-14-22-18)24-11-9-20(3,25)10-12-24/h5-6,13-14,25H,4,9-12H2,1-3H3
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n/an/a 84n/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))		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 143n/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))		BDBM111705
PNG
(US8618111, E-5)
Show SMILES CCNC(=O)CC1CCN(CC1)c1ncnc(C)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C21H26N6O/c1-3-23-20(28)12-16-8-10-27(11-9-16)21-18(15(2)25-14-26-21)6-4-17-5-7-19(22)24-13-17/h5,7,13-14,16H,3,8-12H2,1-2H3,(H2,22,24)(H,23,28)
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n/an/a 38n/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))		BDBM111740
PNG
(US8618111, H-13)
Show SMILES CCc1ncnc(N2CCN(C)C(=O)C2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C18H20N6O/c1-3-15-14(6-4-13-5-7-16(19)20-10-13)18(22-12-21-15)24-9-8-23(2)17(25)11-24/h5,7,10,12H,3,8-9,11H2,1-2H3,(H2,19,20)
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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))		BDBM111746
PNG
(US8618111, H-19)
Show SMILES CCc1ncnc(N2CCN(CC2)c2ccccc2C(F)(F)F)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C24H23F3N6/c1-2-20-18(9-7-17-8-10-22(28)29-15-17)23(31-16-30-20)33-13-11-32(12-14-33)21-6-4-3-5-19(21)24(25,26)27/h3-6,8,10,15-16H,2,11-14H2,1H3,(H2,28,29)
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n/an/a 1.86E+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))		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 38n/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))		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 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))		BDBM111680
PNG
(US8618111, B-67)
Show SMILES CC1CN(CCC1O)c1ncnc(C)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C18H21N5O/c1-12-10-23(8-7-16(12)24)18-15(13(2)21-11-22-18)5-3-14-4-6-17(19)20-9-14/h4,6,9,11-12,16,24H,7-8,10H2,1-2H3,(H2,19,20)
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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))		BDBM111700
PNG
(US8618111, B-87)
Show SMILES CCc1ncnc(N2CCC(O)CC2)c1C#Cc1ccc(NC)nc1
Show InChI InChI=1S/C19H23N5O/c1-3-17-16(6-4-14-5-7-18(20-2)21-12-14)19(23-13-22-17)24-10-8-15(25)9-11-24/h5,7,12-13,15,25H,3,8-11H2,1-2H3,(H,20,21)
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n/an/a 76n/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
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* indicates data uncertainty>20%