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Patent code US8598157

Compile Data Set for Download or QSAR
Found 90 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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108190
PNG
(US8598157, I-67)
Show SMILES CCc1ncnc(N2CCN(CC2)S(C)(=O)=O)c1C#Cc1cnc(C)c(NS(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C25H27FN6O4S2/c1-4-23-22(25(29-17-28-23)31-11-13-32(14-12-31)37(3,33)34)10-5-19-15-24(18(2)27-16-19)30-38(35,36)21-8-6-20(26)7-9-21/h6-9,15-17,30H,4,11-14H2,1-3H3
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US Patent
n/an/a 0.140n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108193
PNG
(US8598157, I-70)
Show SMILES C[C@H]1COCCN1c1ncnc(C)c1C#Cc1cnc(C)c(NS(=O)(=O)c2ccccc2)c1 |r|
Show InChI InChI=1S/C24H25N5O3S/c1-17-15-32-12-11-29(17)24-22(18(2)26-16-27-24)10-9-20-13-23(19(3)25-14-20)28-33(30,31)21-7-5-4-6-8-21/h4-8,13-14,16-17,28H,11-12,15H2,1-3H3/t17-/m0/s1
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n/an/a 0.200n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108163
PNG
(US8598157, I-40)
Show SMILES Cc1ncc(cc1NS(=O)(=O)c1ccccc1)C#Cc1c(C)ncnc1N1CCOCC1
Show InChI InChI=1S/C23H23N5O3S/c1-17-21(23(26-16-25-17)28-10-12-31-13-11-28)9-8-19-14-22(18(2)24-15-19)27-32(29,30)20-6-4-3-5-7-20/h3-7,14-16,27H,10-13H2,1-2H3
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n/an/a 0.280n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108207
PNG
(US8598157, I-84)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(Cl)cc1)C#Cc1c(C)ncnc1N1CCOCC1
Show InChI InChI=1S/C23H22ClN5O4S/c1-16-20(22(27-15-26-16)29-9-11-33-12-10-29)8-3-17-13-21(23(32-2)25-14-17)28-34(30,31)19-6-4-18(24)5-7-19/h4-7,13-15,28H,9-12H2,1-2H3
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n/an/a 0.300n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108208
PNG
(US8598157, I-85)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(Cl)s1)C#Cc1c(C)ncnc1N1CCOCC1
Show InChI InChI=1S/C21H20ClN5O4S2/c1-14-16(20(25-13-24-14)27-7-9-31-10-8-27)4-3-15-11-17(21(30-2)23-12-15)26-33(28,29)19-6-5-18(22)32-19/h5-6,11-13,26H,7-10H2,1-2H3
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n/an/a 0.380n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108209
PNG
(US8598157, I-86)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1cccs1)C#Cc1c(C)ncnc1N1CCOCC1
Show InChI InChI=1S/C21H21N5O4S2/c1-15-17(20(24-14-23-15)26-7-9-30-10-8-26)6-5-16-12-18(21(29-2)22-13-16)25-32(27,28)19-4-3-11-31-19/h3-4,11-14,25H,7-10H2,1-2H3
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n/an/a 0.390n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108124
PNG
(US8598157, I-1)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccccc1)C#Cc1c(C)ncnc1N1CCOCC1
Show InChI InChI=1S/C23H23N5O4S/c1-17-20(22(26-16-25-17)28-10-12-32-13-11-28)9-8-18-14-21(23(31-2)24-15-18)27-33(29,30)19-6-4-3-5-7-19/h3-7,14-16,27H,10-13H2,1-2H3
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n/an/a 0.400n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108153
PNG
(US8598157, I-30)
Show SMILES Cc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1)C#Cc1c(C)ncnc1N1CCOCC1
Show InChI InChI=1S/C23H22FN5O3S/c1-16-21(23(27-15-26-16)29-9-11-32-12-10-29)8-3-18-13-22(17(2)25-14-18)28-33(30,31)20-6-4-19(24)5-7-20/h4-7,13-15,28H,9-12H2,1-2H3
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n/an/a 0.430n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108206
PNG
(US8598157, I-83)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccccc1C(F)(F)F)C#Cc1c(C)ncnc1N1CCOCC1
Show InChI InChI=1S/C24H22F3N5O4S/c1-16-18(22(30-15-29-16)32-9-11-36-12-10-32)8-7-17-13-20(23(35-2)28-14-17)31-37(33,34)21-6-4-3-5-19(21)24(25,26)27/h3-6,13-15,31H,9-12H2,1-2H3
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n/an/a 0.440n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108152
PNG
(US8598157, I-29)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)C#Cc1c(C)ncnc1N1CCOCC1
Show InChI InChI=1S/C23H21F2N5O4S/c1-15-18(22(28-14-27-15)30-7-9-34-10-8-30)5-3-16-11-20(23(33-2)26-13-16)29-35(31,32)21-6-4-17(24)12-19(21)25/h4,6,11-14,29H,7-10H2,1-2H3
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n/an/a 0.440n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108179
PNG
(US8598157, I-56)
Show SMILES Cc1ncc(cc1NS(=O)(=O)c1ccnn1C)C#Cc1c(C)ncnc1N1CCOCC1
Show InChI InChI=1S/C21H23N7O3S/c1-15-18(21(24-14-23-15)28-8-10-31-11-9-28)5-4-17-12-19(16(2)22-13-17)26-32(29,30)20-6-7-25-27(20)3/h6-7,12-14,26H,8-11H2,1-3H3
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n/an/a 0.440n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108210
PNG
(US8598157, I-87)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccnn1C)C#Cc1c(C)ncnc1N1CCOCC1
Show InChI InChI=1S/C21H23N7O4S/c1-15-17(20(24-14-23-15)28-8-10-32-11-9-28)5-4-16-12-18(21(31-3)22-13-16)26-33(29,30)19-6-7-25-27(19)2/h6-7,12-14,26H,8-11H2,1-3H3
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n/an/a 0.450n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108142
PNG
(US8598157, I-19)
Show SMILES Cc1ncnc(N2CCOCC2)c1C#Cc1cncc(NS(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C22H21N5O3S/c1-17-21(22(25-16-24-17)27-9-11-30-12-10-27)8-7-18-13-19(15-23-14-18)26-31(28,29)20-5-3-2-4-6-20/h2-6,13-16,26H,9-12H2,1H3
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n/an/a 0.460n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108143
PNG
(US8598157, I-20)
Show SMILES Cc1ncnc(N2CCOCC2)c1C#Cc1cncc(NS(=O)(=O)c2ccc(F)cc2F)c1
Show InChI InChI=1S/C22H19F2N5O3S/c1-15-19(22(27-14-26-15)29-6-8-32-9-7-29)4-2-16-10-18(13-25-12-16)28-33(30,31)21-5-3-17(23)11-20(21)24/h3,5,10-14,28H,6-9H2,1H3
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n/an/a 0.460n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108191
PNG
(US8598157, I-68)
Show SMILES CCc1ncnc(N2CCN(CC2)C(C)=O)c1C#Cc1cnc(C)c(NS(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C26H27FN6O3S/c1-4-24-23(26(30-17-29-24)33-13-11-32(12-14-33)19(3)34)10-5-20-15-25(18(2)28-16-20)31-37(35,36)22-8-6-21(27)7-9-22/h6-9,15-17,31H,4,11-14H2,1-3H3
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n/an/a 0.470n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108175
PNG
(US8598157, I-52)
Show SMILES Cc1ncc(cc1NS(=O)(=O)c1ccc(Cl)s1)C#Cc1c(C)ncnc1N1CCOCC1
Show InChI InChI=1S/C21H20ClN5O3S2/c1-14-17(21(25-13-24-14)27-7-9-30-10-8-27)4-3-16-11-18(15(2)23-12-16)26-32(28,29)20-6-5-19(22)31-20/h5-6,11-13,26H,7-10H2,1-2H3
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n/an/a 0.470n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108189
PNG
(US8598157, I-66)
Show SMILES CCc1ncnc(N2CCC(O)CC2)c1C#Cc1cnc(C)c(NS(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C25H26FN5O3S/c1-3-23-22(25(29-16-28-23)31-12-10-20(32)11-13-31)9-4-18-14-24(17(2)27-15-18)30-35(33,34)21-7-5-19(26)6-8-21/h5-8,14-16,20,30,32H,3,10-13H2,1-2H3
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US Patent
n/an/a 0.480n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108205
PNG
(US8598157, I-82)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccccc1OC(F)(F)F)C#Cc1c(C)ncnc1N1CCOCC1
Show InChI InChI=1S/C24H22F3N5O5S/c1-16-18(22(30-15-29-16)32-9-11-36-12-10-32)8-7-17-13-19(23(35-2)28-14-17)31-38(33,34)21-6-4-3-5-20(21)37-24(25,26)27/h3-6,13-15,31H,9-12H2,1-2H3
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n/an/a 0.5n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108164
PNG
(US8598157, I-41)
Show SMILES Cc1ncnc(N2CCOCC2)c1C#Cc1c[nH]c(=O)c(NS(=O)(=O)c2ccc(F)cc2F)c1
Show InChI InChI=1S/C22H19F2N5O4S/c1-14-17(21(27-13-26-14)29-6-8-33-9-7-29)4-2-15-10-19(22(30)25-12-15)28-34(31,32)20-5-3-16(23)11-18(20)24/h3,5,10-13,28H,6-9H2,1H3,(H,25,30)
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n/an/a 0.510n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108212
PNG
(US8598157, I-89)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(C)o1)C#Cc1c(C)ncnc1N1CCOCC1
Show InChI InChI=1S/C22H23N5O5S/c1-15-4-7-20(32-15)33(28,29)26-19-12-17(13-23-22(19)30-3)5-6-18-16(2)24-14-25-21(18)27-8-10-31-11-9-27/h4,7,12-14,26H,8-11H2,1-3H3
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n/an/a 0.530n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108144
PNG
(US8598157, I-21)
Show SMILES Cc1ncnc(N2CCOCC2)c1C#Cc1cncc(NS(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C20H19N5O3S2/c1-15-18(20(23-14-22-15)25-6-8-28-9-7-25)5-4-16-11-17(13-21-12-16)24-30(26,27)19-3-2-10-29-19/h2-3,10-14,24H,6-9H2,1H3
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n/an/a 0.530n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108211
PNG
(US8598157, I-88)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1cnn(C)c1)C#Cc1c(C)ncnc1N1CCOCC1
Show InChI InChI=1S/C21H23N7O4S/c1-15-18(20(24-14-23-15)28-6-8-32-9-7-28)5-4-16-10-19(21(31-3)22-11-16)26-33(29,30)17-12-25-27(2)13-17/h10-14,26H,6-9H2,1-3H3
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n/an/a 0.550n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108171
PNG
(US8598157, I-48)
Show SMILES Cc1cc(c(C)s1)S(=O)(=O)Nc1cc(cnc1C)C#Cc1c(C)ncnc1N1CCOCC1
Show InChI InChI=1S/C23H25N5O3S2/c1-15-11-22(18(4)32-15)33(29,30)27-21-12-19(13-24-17(21)3)5-6-20-16(2)25-14-26-23(20)28-7-9-31-10-8-28/h11-14,27H,7-10H2,1-4H3
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n/an/a 0.550n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108203
PNG
(US8598157, I-80)
Show SMILES CCc1ncnc(N2CCOCC2)c1C#Cc1cnc(OC)c(NS(=O)(=O)c2ccco2)c1
Show InChI InChI=1S/C22H23N5O5S/c1-3-18-17(21(25-15-24-18)27-8-11-31-12-9-27)7-6-16-13-19(22(30-2)23-14-16)26-33(28,29)20-5-4-10-32-20/h4-5,10,13-15,26H,3,8-9,11-12H2,1-2H3
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n/an/a 0.550n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108165
PNG
(US8598157, I-42)
Show SMILES CCc1ncnc(N2CCC(C)(O)CC2)c1C#Cc1cnc(C)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C21H27N5O3S/c1-5-18-17(20(24-14-23-18)26-10-8-21(3,27)9-11-26)7-6-16-12-19(15(2)22-13-16)25-30(4,28)29/h12-14,25,27H,5,8-11H2,1-4H3
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n/an/a 0.550n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108174
PNG
(US8598157, I-51)
Show SMILES Cc1ncc(cc1NS(=O)(=O)c1cnn(C)c1)C#Cc1c(C)ncnc1N1CCOCC1
Show InChI InChI=1S/C21H23N7O3S/c1-15-19(21(24-14-23-15)28-6-8-31-9-7-28)5-4-17-10-20(16(2)22-11-17)26-32(29,30)18-12-25-27(3)13-18/h10-14,26H,6-9H2,1-3H3
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n/an/a 0.560n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108149
PNG
(US8598157, I-26)
Show SMILES CCc1ncnc(N2CCOCC2)c1C#Cc1cnc(OC)c(NS(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C24H25N5O4S/c1-3-21-20(23(27-17-26-21)29-11-13-33-14-12-29)10-9-18-15-22(24(32-2)25-16-18)28-34(30,31)19-7-5-4-6-8-19/h4-8,15-17,28H,3,11-14H2,1-2H3
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n/an/a 0.590n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108148
PNG
(US8598157, I-25)
Show SMILES CCc1ncnc(N2CCOCC2)c1C#Cc1cnc(OC)c(NS(=O)(=O)c2ccc(F)cc2F)c1
Show InChI InChI=1S/C24H23F2N5O4S/c1-3-20-18(23(29-15-28-20)31-8-10-35-11-9-31)6-4-16-12-21(24(34-2)27-14-16)30-36(32,33)22-7-5-17(25)13-19(22)26/h5,7,12-15,30H,3,8-11H2,1-2H3
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n/an/a 0.630n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108136
PNG
(US8598157, I-13)
Show SMILES Cc1ncc(cc1NS(=O)(=O)c1ccccc1C(F)(F)F)C#Cc1c(C)ncnc1N1CCOCC1
Show InChI InChI=1S/C24H22F3N5O3S/c1-16-19(23(30-15-29-16)32-9-11-35-12-10-32)8-7-18-13-21(17(2)28-14-18)31-36(33,34)22-6-4-3-5-20(22)24(25,26)27/h3-6,13-15,31H,9-12H2,1-2H3
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n/an/a 0.630n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108204
PNG
(US8598157, I-81)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)C#Cc1c(C)ncnc1N1CCOCC1
Show InChI InChI=1S/C18H21N5O4S/c1-13-15(17(21-12-20-13)23-6-8-27-9-7-23)5-4-14-10-16(22-28(3,24)25)18(26-2)19-11-14/h10-12,22H,6-9H2,1-3H3
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n/an/a 0.640n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108125
PNG
(US8598157, I-2)
Show SMILES Cc1ncc(cc1NS(=O)(=O)c1ccccc1F)C#Cc1c(C)ncnc1N1CCOCC1
Show InChI InChI=1S/C23H22FN5O3S/c1-16-19(23(27-15-26-16)29-9-11-32-12-10-29)8-7-18-13-21(17(2)25-14-18)28-33(30,31)22-6-4-3-5-20(22)24/h3-6,13-15,28H,9-12H2,1-2H3
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n/an/a 0.650n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108146
PNG
(US8598157, I-23)
Show SMILES Cc1ncnc(N2CCOCC2)c1C#Cc1cncc(NS(=O)(=O)c2cnn(C)c2)c1
Show InChI InChI=1S/C20H21N7O3S/c1-15-19(20(23-14-22-15)27-5-7-30-8-6-27)4-3-16-9-17(11-21-10-16)25-31(28,29)18-12-24-26(2)13-18/h9-14,25H,5-8H2,1-2H3
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n/an/a 0.660n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108133
PNG
(US8598157, I-10)
Show SMILES Cc1ncc(cc1NS(=O)(=O)c1cccs1)C#Cc1c(C)ncnc1N1CCOCC1
Show InChI InChI=1S/C21H21N5O3S2/c1-15-18(21(24-14-23-15)26-7-9-29-10-8-26)6-5-17-12-19(16(2)22-13-17)25-31(27,28)20-4-3-11-30-20/h3-4,11-14,25H,7-10H2,1-2H3
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n/an/a 0.720n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108138
PNG
(US8598157, I-15)
Show SMILES CC(C)N(C)c1ncnc(C)c1C#Cc1cnc(C)c(NS(=O)(=O)c2ccc(F)cc2F)c1
Show InChI InChI=1S/C23H23F2N5O2S/c1-14(2)30(5)23-19(15(3)27-13-28-23)8-6-17-10-21(16(4)26-12-17)29-33(31,32)22-9-7-18(24)11-20(22)25/h7,9-14,29H,1-5H3
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n/an/a 0.740n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108202
PNG
(US8598157, I-79)
Show SMILES CCc1ncnc(N2CCOCC2)c1C#Cc1cnc(OC)c(NS(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C22H23N5O4S2/c1-3-18-17(21(25-15-24-18)27-8-10-31-11-9-27)7-6-16-13-19(22(30-2)23-14-16)26-33(28,29)20-5-4-12-32-20/h4-5,12-15,26H,3,8-11H2,1-2H3
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n/an/a 0.75n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108140
PNG
(US8598157, I-17)
Show SMILES CC(=O)N1CCN(CC1)c1ncnc(C)c1C#Cc1cnc(C)c(NS(=O)(=O)c2ccc(F)cc2F)c1
Show InChI InChI=1S/C25H24F2N6O3S/c1-16-21(25(30-15-29-16)33-10-8-32(9-11-33)18(3)34)6-4-19-12-23(17(2)28-14-19)31-37(35,36)24-7-5-20(26)13-22(24)27/h5,7,12-15,31H,8-11H2,1-3H3
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n/an/a 0.790n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108130
PNG
(US8598157, I-7)
Show SMILES Cc1ncc(cc1NS(=O)(=O)c1c(F)cccc1F)C#Cc1c(C)ncnc1N1CCOCC1
Show InChI InChI=1S/C23H21F2N5O3S/c1-15-18(23(28-14-27-15)30-8-10-33-11-9-30)7-6-17-12-21(16(2)26-13-17)29-34(31,32)22-19(24)4-3-5-20(22)25/h3-5,12-14,29H,8-11H2,1-2H3
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n/an/a 0.800n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108145
PNG
(US8598157, I-22)
Show SMILES Cc1ncnc(N2CCOCC2)c1C#Cc1cncc(NS(=O)(=O)c2cccnc2)c1
Show InChI InChI=1S/C21H20N6O3S/c1-16-20(21(25-15-24-16)27-7-9-30-10-8-27)5-4-17-11-18(13-23-12-17)26-31(28,29)19-3-2-6-22-14-19/h2-3,6,11-15,26H,7-10H2,1H3
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US Patent
n/an/a 0.800n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108180
PNG
(US8598157, I-57)
Show SMILES COCCN1CCN(CC1)c1ncnc(C)c1C#Cc1cnc(C)c(NS(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C26H30N6O3S/c1-20-24(26(29-19-28-20)32-13-11-31(12-14-32)15-16-35-3)10-9-22-17-25(21(2)27-18-22)30-36(33,34)23-7-5-4-6-8-23/h4-8,17-19,30H,11-16H2,1-3H3
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n/an/a 0.830n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108137
PNG
(US8598157, I-14)
Show SMILES Cc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)C#Cc1c(C)ncnc1N1CCCCC1
Show InChI InChI=1S/C24H23F2N5O2S/c1-16-20(24(29-15-28-16)31-10-4-3-5-11-31)8-6-18-12-22(17(2)27-14-18)30-34(32,33)23-9-7-19(25)13-21(23)26/h7,9,12-15,30H,3-5,10-11H2,1-2H3
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n/an/a 0.850n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108139
PNG
(US8598157, I-16)
Show SMILES CN(C1CCOCC1)c1ncnc(C)c1C#Cc1cnc(C)c(NS(=O)(=O)c2ccc(F)cc2F)c1
Show InChI InChI=1S/C25H25F2N5O3S/c1-16-21(25(30-15-29-16)32(3)20-8-10-35-11-9-20)6-4-18-12-23(17(2)28-14-18)31-36(33,34)24-7-5-19(26)13-22(24)27/h5,7,12-15,20,31H,8-11H2,1-3H3
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n/an/a 0.860n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108169
PNG
(US8598157, I-46)
Show SMILES CCc1ncnc(N2CCC(O)CC2)c1C#Cc1cnc(C)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C20H25N5O3S/c1-4-18-17(20(23-13-22-18)25-9-7-16(26)8-10-25)6-5-15-11-19(14(2)21-12-15)24-29(3,27)28/h11-13,16,24,26H,4,7-10H2,1-3H3
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n/an/a 0.860n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108188
PNG
(US8598157, I-65)
Show SMILES CCc1ncnc(N2CCN(C)CC2)c1C#Cc1cnc(C)c(NS(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C25H27FN6O2S/c1-4-23-22(25(29-17-28-23)32-13-11-31(3)12-14-32)10-5-19-15-24(18(2)27-16-19)30-35(33,34)21-8-6-20(26)7-9-21/h6-9,15-17,30H,4,11-14H2,1-3H3
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n/an/a 0.890n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108154
PNG
(US8598157, I-31)
Show SMILES Cc1ncc(cc1NS(=O)(=O)c1cc(F)cc(F)c1)C#Cc1c(C)ncnc1N1CCOCC1
Show InChI InChI=1S/C23H21F2N5O3S/c1-15-21(23(28-14-27-15)30-5-7-33-8-6-30)4-3-17-9-22(16(2)26-13-17)29-34(31,32)20-11-18(24)10-19(25)12-20/h9-14,29H,5-8H2,1-2H3
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n/an/a 0.970n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108131
PNG
(US8598157, I-8)
Show SMILES Cc1ncc(cc1NS(=O)(=O)c1ccccc1Br)C#Cc1c(C)ncnc1N1CCOCC1
Show InChI InChI=1S/C23H22BrN5O3S/c1-16-19(23(27-15-26-16)29-9-11-32-12-10-29)8-7-18-13-21(17(2)25-14-18)28-33(30,31)22-6-4-3-5-20(22)24/h3-6,13-15,28H,9-12H2,1-2H3
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n/an/a 1n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108128
PNG
(US8598157, I-5)
Show SMILES Cc1ncc(cc1NS(=O)(=O)c1ccccc1Cl)C#Cc1c(C)ncnc1N1CCOCC1
Show InChI InChI=1S/C23H22ClN5O3S/c1-16-19(23(27-15-26-16)29-9-11-32-12-10-29)8-7-18-13-21(17(2)25-14-18)28-33(30,31)22-6-4-3-5-20(22)24/h3-6,13-15,28H,9-12H2,1-2H3
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n/an/a 1n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108132
PNG
(US8598157, I-9)
Show SMILES Cc1ncc(cc1NS(=O)(=O)c1cn(C)cn1)C#Cc1c(C)ncnc1N1CCOCC1
Show InChI InChI=1S/C21H23N7O3S/c1-15-18(21(24-13-23-15)28-6-8-31-9-7-28)5-4-17-10-19(16(2)22-11-17)26-32(29,30)20-12-27(3)14-25-20/h10-14,26H,6-9H2,1-3H3
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n/an/a 1n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108141
PNG
(US8598157, I-18)
Show SMILES CN1CCN(CC1)c1ncnc(C)c1C#Cc1cnc(C)c(NS(=O)(=O)c2ccc(F)cc2F)c1
Show InChI InChI=1S/C24H24F2N6O2S/c1-16-20(24(29-15-28-16)32-10-8-31(3)9-11-32)6-4-18-12-22(17(2)27-14-18)30-35(33,34)23-7-5-19(25)13-21(23)26/h5,7,12-15,30H,8-11H2,1-3H3
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n/an/a 1n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108177
PNG
(US8598157, I-54)
Show SMILES Cc1ncc(cc1NS(=O)(=O)c1cccnc1)C#Cc1c(C)ncnc1N1CCOCC1
Show InChI InChI=1S/C22H22N6O3S/c1-16-20(22(26-15-25-16)28-8-10-31-11-9-28)6-5-18-12-21(17(2)24-13-18)27-32(29,30)19-4-3-7-23-14-19/h3-4,7,12-15,27H,8-11H2,1-2H3
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n/an/a 1n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108134
PNG
(US8598157, I-11)
Show SMILES Cc1ccccc1S(=O)(=O)Nc1cc(cnc1C)C#Cc1c(C)ncnc1N1CCOCC1
Show InChI InChI=1S/C24H25N5O3S/c1-17-6-4-5-7-23(17)33(30,31)28-22-14-20(15-25-19(22)3)8-9-21-18(2)26-16-27-24(21)29-10-12-32-13-11-29/h4-7,14-16,28H,10-13H2,1-3H3
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n/an/a 1n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108150
PNG
(US8598157, I-27)
Show SMILES CCc1ncnc(N(C)C)c1C#Cc1cnc(C)c(NS(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C22H22FN5O2S/c1-5-20-19(22(28(3)4)26-14-25-20)11-6-16-12-21(15(2)24-13-16)27-31(29,30)18-9-7-17(23)8-10-18/h7-10,12-14,27H,5H2,1-4H3
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n/an/a 1n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108173
PNG
(US8598157, I-50)
Show SMILES Cc1ncc(cc1NS(=O)(=O)c1ccoc1)C#Cc1c(C)ncnc1N1CCOCC1
Show InChI InChI=1S/C21H21N5O4S/c1-15-19(21(24-14-23-15)26-6-9-29-10-7-26)4-3-17-11-20(16(2)22-12-17)25-31(27,28)18-5-8-30-13-18/h5,8,11-14,25H,6-7,9-10H2,1-2H3
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n/an/a 1n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108129
PNG
(US8598157, I-6)
Show SMILES Cc1ncc(cc1NS(=O)(=O)c1cccc(F)c1)C#Cc1c(C)ncnc1N1CCOCC1
Show InChI InChI=1S/C23H22FN5O3S/c1-16-21(23(27-15-26-16)29-8-10-32-11-9-29)7-6-18-12-22(17(2)25-14-18)28-33(30,31)20-5-3-4-19(24)13-20/h3-5,12-15,28H,8-11H2,1-2H3
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n/an/a 1n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108200
PNG
(US8598157, I-77)
Show SMILES CCc1ncnc(N2CCOCC2)c1C#Cc1cnc(OC)c(NS(=O)(=O)C2CC2)c1
Show InChI InChI=1S/C21H25N5O4S/c1-3-18-17(20(24-14-23-18)26-8-10-30-11-9-26)7-4-15-12-19(21(29-2)22-13-15)25-31(27,28)16-5-6-16/h12-14,16,25H,3,5-6,8-11H2,1-2H3
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n/an/a 1n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108198
PNG
(US8598157, I-75)
Show SMILES CCc1ncnc(N2CCOCC2)c1C#Cc1cnc(OC)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C19H23N5O4S/c1-4-16-15(18(22-13-21-16)24-7-9-28-10-8-24)6-5-14-11-17(23-29(3,25)26)19(27-2)20-12-14/h11-13,23H,4,7-10H2,1-3H3
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n/an/a 1n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108127
PNG
(US8598157, I-4)
Show SMILES COc1cccc(c1)S(=O)(=O)Nc1cc(cnc1C)C#Cc1c(C)ncnc1N1CCOCC1
Show InChI InChI=1S/C24H25N5O4S/c1-17-22(24(27-16-26-17)29-9-11-33-12-10-29)8-7-19-13-23(18(2)25-15-19)28-34(30,31)21-6-4-5-20(14-21)32-3/h4-6,13-16,28H,9-12H2,1-3H3
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n/an/a 1n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108160
PNG
(US8598157, I-37)
Show SMILES Cc1ncc(cc1NS(C)(=O)=O)C#Cc1c(C)ncnc1N1CCOCC1
Show InChI InChI=1S/C18H21N5O3S/c1-13-16(18(21-12-20-13)23-6-8-26-9-7-23)5-4-15-10-17(14(2)19-11-15)22-27(3,24)25/h10-12,22H,6-9H2,1-3H3
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n/an/a 1n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108178
PNG
(US8598157, I-55)
Show SMILES Cc1nc(cn1C)S(=O)(=O)Nc1cc(cnc1C)C#Cc1c(C)ncnc1N1CCOCC1
Show InChI InChI=1S/C22H25N7O3S/c1-15-19(22(25-14-24-15)29-7-9-32-10-8-29)6-5-18-11-20(16(2)23-12-18)27-33(30,31)21-13-28(4)17(3)26-21/h11-14,27H,7-10H2,1-4H3
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n/an/a 1n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108187
PNG
(US8598157, I-64)
Show SMILES Cc1ncc(cc1NS(=O)(=O)N1CCCC1)C#Cc1c(C)ncnc1N1CCOCC1
Show InChI InChI=1S/C21H26N6O3S/c1-16-19(21(24-15-23-16)26-9-11-30-12-10-26)6-5-18-13-20(17(2)22-14-18)25-31(28,29)27-7-3-4-8-27/h13-15,25H,3-4,7-12H2,1-2H3
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n/an/a 2n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108157
PNG
(US8598157, I-34)
Show SMILES CCc1nc(N)nc(N2CCC(CC2)OC)c1C#Cc1cnc(C)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C21H28N6O3S/c1-5-18-17(7-6-15-12-19(14(2)23-13-15)26-31(4,28)29)20(25-21(22)24-18)27-10-8-16(30-3)9-11-27/h12-13,16,26H,5,8-11H2,1-4H3,(H2,22,24,25)
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n/an/a 2n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108201
PNG
(US8598157, I-78)
Show SMILES CCc1ncnc(N2CCOCC2)c1C#Cc1cnc(OC)c(NS(=O)(=O)CCOC)c1
Show InChI InChI=1S/C21H27N5O5S/c1-4-18-17(20(24-15-23-18)26-7-9-31-10-8-26)6-5-16-13-19(21(30-3)22-14-16)25-32(27,28)12-11-29-2/h13-15,25H,4,7-12H2,1-3H3
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n/an/a 2n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108192
PNG
(US8598157, I-69)
Show SMILES C[C@@H]1COCCN1c1ncnc(C)c1C#Cc1cnc(C)c(NS(=O)(=O)c2ccccc2)c1 |r|
Show InChI InChI=1S/C24H25N5O3S/c1-17-15-32-12-11-29(17)24-22(18(2)26-16-27-24)10-9-20-13-23(19(3)25-14-20)28-33(30,31)21-7-5-4-6-8-21/h4-8,13-14,16-17,28H,11-12,15H2,1-3H3/t17-/m1/s1
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n/an/a 2n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108172
PNG
(US8598157, I-49)
Show SMILES Cc1ncc(cc1NS(=O)(=O)c1ccco1)C#Cc1c(C)ncnc1N1CCOCC1
Show InChI InChI=1S/C21H21N5O4S/c1-15-18(21(24-14-23-15)26-7-10-29-11-8-26)6-5-17-12-19(16(2)22-13-17)25-31(27,28)20-4-3-9-30-20/h3-4,9,12-14,25H,7-8,10-11H2,1-2H3
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n/an/a 2n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108161
PNG
(US8598157, I-38)
Show SMILES CC(C)S(=O)(=O)Nc1cc(cnc1C)C#Cc1c(C)ncnc1N1CCOCC1
Show InChI InChI=1S/C20H25N5O3S/c1-14(2)29(26,27)24-19-11-17(12-21-16(19)4)5-6-18-15(3)22-13-23-20(18)25-7-9-28-10-8-25/h11-14,24H,7-10H2,1-4H3
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n/an/a 2n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108183
PNG
(US8598157, I-60)
Show SMILES CN1CCN(CC1=O)c1ncnc(C)c1C#Cc1cnc(C)c(NS(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C24H24N6O3S/c1-17-21(24(27-16-26-17)30-12-11-29(3)23(31)15-30)10-9-19-13-22(18(2)25-14-19)28-34(32,33)20-7-5-4-6-8-20/h4-8,13-14,16,28H,11-12,15H2,1-3H3
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n/an/a 2n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108176
PNG
(US8598157, I-53)
Show SMILES Cc1noc(C)c1S(=O)(=O)Nc1cc(cnc1C)C#Cc1c(C)ncnc1N1CCOCC1
Show InChI InChI=1S/C22H24N6O4S/c1-14-19(22(25-13-24-14)28-7-9-31-10-8-28)6-5-18-11-20(15(2)23-12-18)27-33(29,30)21-16(3)26-32-17(21)4/h11-13,27H,7-10H2,1-4H3
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n/an/a 2n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108196
PNG
(US8598157, I-73)
Show SMILES Cc1ncc(cc1NS(=O)(=O)c1ccccc1)C#Cc1c(C)ncnc1N1CCCOCC1
Show InChI InChI=1S/C24H25N5O3S/c1-18-22(24(27-17-26-18)29-11-6-13-32-14-12-29)10-9-20-15-23(19(2)25-16-20)28-33(30,31)21-7-4-3-5-8-21/h3-5,7-8,15-17,28H,6,11-14H2,1-2H3
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n/an/a 2n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108199
PNG
(US8598157, I-76)
Show SMILES CCc1ncnc(N2CCOCC2)c1C#Cc1cnc(OC)c(NS(=O)(=O)CC)c1
Show InChI InChI=1S/C20H25N5O4S/c1-4-17-16(19(23-14-22-17)25-8-10-29-11-9-25)7-6-15-12-18(20(28-3)21-13-15)24-30(26,27)5-2/h12-14,24H,4-5,8-11H2,1-3H3
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n/an/a 2n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108184
PNG
(US8598157, I-61)
Show SMILES CC(=O)N1CCN(CC1)c1ncnc(C)c1C#Cc1cnc(C)c(NS(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C25H26N6O3S/c1-18-23(25(28-17-27-18)31-13-11-30(12-14-31)20(3)32)10-9-21-15-24(19(2)26-16-21)29-35(33,34)22-7-5-4-6-8-22/h4-8,15-17,29H,11-14H2,1-3H3
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n/an/a 2n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108197
PNG
(US8598157, I-74)
Show SMILES COC1CCN(CC1)c1ncnc(C)c1C#Cc1cnc(C)c(NS(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C25H27N5O3S/c1-18-23(25(28-17-27-18)30-13-11-21(33-3)12-14-30)10-9-20-15-24(19(2)26-16-20)29-34(31,32)22-7-5-4-6-8-22/h4-8,15-17,21,29H,11-14H2,1-3H3
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n/an/a 2n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108167
PNG
(US8598157, I-44)
Show SMILES CCc1ncnc(N2CCCCC2)c1C#Cc1cnc(C)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C20H25N5O2S/c1-4-18-17(20(23-14-22-18)25-10-6-5-7-11-25)9-8-16-12-19(15(2)21-13-16)24-28(3,26)27/h12-14,24H,4-7,10-11H2,1-3H3
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n/an/a 2n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108186
PNG
(US8598157, I-63)
Show SMILES Cc1ncc(cc1NS(=O)(=O)c1ccccc1)C#Cc1c(C)ncnc1N1CCCCC1
Show InChI InChI=1S/C24H25N5O2S/c1-18-22(24(27-17-26-18)29-13-7-4-8-14-29)12-11-20-15-23(19(2)25-16-20)28-32(30,31)21-9-5-3-6-10-21/h3,5-6,9-10,15-17,28H,4,7-8,13-14H2,1-2H3
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n/an/a 3n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108185
PNG
(US8598157, I-62)
Show SMILES CC(=O)N1CCCN(CC1)c1ncnc(C)c1C#Cc1cnc(C)c(NS(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C26H28N6O3S/c1-19-24(26(29-18-28-19)32-13-7-12-31(14-15-32)21(3)33)11-10-22-16-25(20(2)27-17-22)30-36(34,35)23-8-5-4-6-9-23/h4-6,8-9,16-18,30H,7,12-15H2,1-3H3
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n/an/a 3n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108166
PNG
(US8598157, I-43)
Show SMILES CCc1nc(N)nc(N2CCC(C)(O)CC2)c1C#Cc1cnc(C)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C21H28N6O3S/c1-5-17-16(7-6-15-12-18(14(2)23-13-15)26-31(4,29)30)19(25-20(22)24-17)27-10-8-21(3,28)9-11-27/h12-13,26,28H,5,8-11H2,1-4H3,(H2,22,24,25)
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n/an/a 3n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108168
PNG
(US8598157, I-45)
Show SMILES CCc1ncnc(N2CCC(CC2)OC)c1C#Cc1cnc(C)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C21H27N5O3S/c1-5-19-18(21(24-14-23-19)26-10-8-17(29-3)9-11-26)7-6-16-12-20(15(2)22-13-16)25-30(4,27)28/h12-14,17,25H,5,8-11H2,1-4H3
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n/an/a 4n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108135
PNG
(US8598157, I-12)
Show SMILES COCCS(=O)(=O)Nc1cc(cnc1C)C#Cc1c(C)ncnc1N1CCOCC1
Show InChI InChI=1S/C20H25N5O4S/c1-15-18(20(23-14-22-15)25-6-8-29-9-7-25)5-4-17-12-19(16(2)21-13-17)24-30(26,27)11-10-28-3/h12-14,24H,6-11H2,1-3H3
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n/an/a 4n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108147
PNG
(US8598157, I-24)
Show SMILES Cc1ncnc(N2CCOCC2)c1C#Cc1cncc(NS(C)(=O)=O)c1
Show InChI InChI=1S/C17H19N5O3S/c1-13-16(17(20-12-19-13)22-5-7-25-8-6-22)4-3-14-9-15(11-18-10-14)21-26(2,23)24/h9-12,21H,5-8H2,1-2H3
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n/an/a 4n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM47180
PNG
(US8598157, I-71)
Show SMILES COCCN(C)c1ncnc(C)c1C#Cc1cnc(C)c(NS(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C23H25N5O3S/c1-17-21(23(26-16-25-17)28(3)12-13-31-4)11-10-19-14-22(18(2)24-15-19)27-32(29,30)20-8-6-5-7-9-20/h5-9,14-16,27H,12-13H2,1-4H3
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n/an/a 5n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108162
PNG
(US8598157, I-39)
Show SMILES Cc1ncc(cc1NS(=O)(=O)C1CCCCC1)C#Cc1c(C)ncnc1N1CCOCC1
Show InChI InChI=1S/C23H29N5O3S/c1-17-21(23(26-16-25-17)28-10-12-31-13-11-28)9-8-19-14-22(18(2)24-15-19)27-32(29,30)20-6-4-3-5-7-20/h14-16,20,27H,3-7,10-13H2,1-2H3
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n/an/a 5n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108151
PNG
(US8598157, I-28)
Show SMILES CCc1ncnc(N2CCN(CC2)C2CC2)c1C#Cc1cnc(C)c(NS(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C27H29FN6O2S/c1-3-25-24(27(31-18-30-25)34-14-12-33(13-15-34)22-7-8-22)11-4-20-16-26(19(2)29-17-20)32-37(35,36)23-9-5-21(28)6-10-23/h5-6,9-10,16-18,22,32H,3,7-8,12-15H2,1-2H3
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n/an/a 5n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM47180
PNG
(US8598157, I-71)
Show SMILES COCCN(C)c1ncnc(C)c1C#Cc1cnc(C)c(NS(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C23H25N5O3S/c1-17-21(23(26-16-25-17)28(3)12-13-31-4)11-10-19-14-22(18(2)24-15-19)27-32(29,30)20-8-6-5-7-9-20/h5-9,14-16,27H,12-13H2,1-4H3
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n/an/a 5n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108158
PNG
(US8598157, I-35)
Show SMILES CCc1nc(N)nc(N2CCC(O)CC2)c1C#Cc1cnc(C)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C20H26N6O3S/c1-4-17-16(19(24-20(21)23-17)26-9-7-15(27)8-10-26)6-5-14-11-18(13(2)22-12-14)25-30(3,28)29/h11-12,15,25,27H,4,7-10H2,1-3H3,(H2,21,23,24)
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n/an/a 5n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108126
PNG
(US8598157, I-3)
Show SMILES CCCS(=O)(=O)Nc1cc(cnc1C)C#Cc1c(C)ncnc1N1CCOCC1
Show InChI InChI=1S/C20H25N5O3S/c1-4-11-29(26,27)24-19-12-17(13-21-16(19)3)5-6-18-15(2)22-14-23-20(18)25-7-9-28-10-8-25/h12-14,24H,4,7-11H2,1-3H3
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n/an/a 5n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108159
PNG
(US8598157, I-36)
Show SMILES CCc1nc(N)nc(N2CCCCC2)c1C#Cc1cnc(C)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C20H26N6O2S/c1-4-17-16(19(24-20(21)23-17)26-10-6-5-7-11-26)9-8-15-12-18(14(2)22-13-15)25-29(3,27)28/h12-13,25H,4-7,10-11H2,1-3H3,(H2,21,23,24)
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n/an/a 5n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108182
PNG
(US8598157, I-59)
Show SMILES CC(C)Nc1ncnc(C)c1C#Cc1cnc(C)c(NS(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C22H23N5O2S/c1-15(2)26-22-20(16(3)24-14-25-22)11-10-18-12-21(17(4)23-13-18)27-30(28,29)19-8-6-5-7-9-19/h5-9,12-15,27H,1-4H3,(H,24,25,26)
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n/an/a 6n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108195
PNG
(US8598157, I-72)
Show SMILES CN(CC1CCOC1)c1ncnc(C)c1C#Cc1cnc(C)c(NS(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C25H27N5O3S/c1-18-23(25(28-17-27-18)30(3)15-21-11-12-33-16-21)10-9-20-13-24(19(2)26-14-20)29-34(31,32)22-7-5-4-6-8-22/h4-8,13-14,17,21,29H,11-12,15-16H2,1-3H3
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n/an/a 8n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108155
PNG
(US8598157, I-32)
Show SMILES CCc1ncnc(N(C)C)c1C#Cc1cnc(C)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C17H21N5O2S/c1-6-15-14(17(22(3)4)20-11-19-15)8-7-13-9-16(12(2)18-10-13)21-25(5,23)24/h9-11,21H,6H2,1-5H3
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n/an/a 8n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108181
PNG
(US8598157, I-58)
Show SMILES Cc1ncc(cc1NS(=O)(=O)c1ccccc1)C#Cc1c(C)ncnc1N1CCN(CC1)C1CC1
Show InChI InChI=1S/C26H28N6O2S/c1-19-24(26(29-18-28-19)32-14-12-31(13-15-32)22-9-10-22)11-8-21-16-25(20(2)27-17-21)30-35(33,34)23-6-4-3-5-7-23/h3-7,16-18,22,30H,9-10,12-15H2,1-2H3
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n/an/a 16n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108170
PNG
(US8598157, I-47)
Show SMILES Cc1oncc1S(=O)(=O)Nc1cc(cnc1C)C#Cc1c(C)ncnc1N1CCOCC1
Show InChI InChI=1S/C21H22N6O4S/c1-14-18(21(24-13-23-14)27-6-8-30-9-7-27)5-4-17-10-19(15(2)22-11-17)26-32(28,29)20-12-25-31-16(20)3/h10-13,26H,6-9H2,1-3H3
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n/an/a 21n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM108156
PNG
(US8598157, I-33)
Show SMILES CCc1ncnc(NC)c1C#Cc1cnc(C)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C16H19N5O2S/c1-5-14-13(16(17-3)20-10-19-14)7-6-12-8-15(11(2)18-9-12)21-24(4,22)23/h8-10,21H,5H2,1-4H3,(H,17,19,20)
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n/an/a 49n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%