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Compile Data Set for Download or QSAR

Found 1700 hits with Last Name = 'spendiff' and Initial = 'm'   
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 delta isoform


(Homo sapiens (Human))
BDBM50403068
PNG
(CHEMBL2216870 | IDELALISIB | US9745321, CAL-101)
Show SMILES CC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1
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n/an/a 2.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kdelta (unknown origin) by Selectscreen kinase assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00986
BindingDB Entry DOI: 10.7270/Q27M0CRD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM295114
PNG
(3-(6-Amino-5-(3-methylisoxazol-5-yl)pyridin-3-yl)-...)
Show SMILES Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1(CO)CCOCC1
Show InChI InChI=1S/C23H28N4O5S/c1-15-3-4-18(33(29,30)26-13-23(14-28)5-7-31-8-6-23)11-19(15)17-10-20(22(24)25-12-17)21-9-16(2)27-32-21/h3-4,9-12,26,28H,5-8,13-14H2,1-2H3,(H2,24,25)
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n/an/a<3n/an/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
The TR-FRET Adapta Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad, Calif., USA) (Cat. No. PV5099). The kit contains t...


US Patent US10112926 (2018)


BindingDB Entry DOI: 10.7270/Q22R3TQ9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM295065
PNG
(US10112926, Example 19 | trans 3-[6-Amino-5-(3-met...)
Show SMILES Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CC[C@H](CO)CC1 |r,wU:24.26,wD:27.30,(5.5,-.1,;4.73,1.23,;5.2,2.69,;3.96,3.6,;2.71,2.69,;3.19,1.23,;1.38,3.47,;.04,2.69,;-1.29,3.47,;-1.29,5,;.04,5.78,;1.38,5,;2.71,5.78,;-2.62,2.69,;-2.62,1.15,;-3.96,.38,;-5.29,1.15,;-5.29,2.69,;-3.96,3.47,;-3.96,5,;-3.96,-1.15,;-2.42,-1.15,;-5.5,-1.15,;-3.96,-2.69,;-2.62,-3.47,;-1.29,-2.69,;.04,-3.47,;.04,-5,;1.38,-5.78,;2.71,-5,;-1.29,-5.78,;-2.62,-5,)|
Show InChI InChI=1S/C22H27N5O4S/c1-13-3-8-18(32(29,30)27-17-6-4-15(12-28)5-7-17)10-19(13)16-9-20(21(23)24-11-16)22-25-14(2)26-31-22/h3,8-11,15,17,27-28H,4-7,12H2,1-2H3,(H2,23,24)/t15-,17-
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n/an/a<3n/an/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
The TR-FRET Adapta Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad, Calif., USA) (Cat. No. PV5099). The kit contains t...


US Patent US10112926 (2018)


BindingDB Entry DOI: 10.7270/Q22R3TQ9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM295115
PNG
(5-(5-((3-Methoxy-3-methylazetidin-1-yl)sulfonyl)-2...)
Show SMILES COC1(C)CN(C1)S(=O)(=O)c1ccc(C)c(c1)-c1cnc(N)c(c1)-c1nc(C)no1
Show InChI InChI=1S/C20H23N5O4S/c1-12-5-6-15(30(26,27)25-10-20(3,11-25)28-4)8-16(12)14-7-17(18(21)22-9-14)19-23-13(2)24-29-19/h5-9H,10-11H2,1-4H3,(H2,21,22)
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n/an/a<3n/an/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
The TR-FRET Adapta Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad, Calif., USA) (Cat. No. PV5099). The kit contains t...


US Patent US10112926 (2018)


BindingDB Entry DOI: 10.7270/Q22R3TQ9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50574856
PNG
(CHEMBL4864109)
Show SMILES Cc1nn(C)nc1-c1nc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(C)(C)O
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n/an/a 4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kgamma (unknown origin) using phosphatidylinositol as substrate incubated for 30 to 60 mins in presence of ATP by TR-FRET based Adap...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00986
BindingDB Entry DOI: 10.7270/Q27M0CRD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM295052
PNG
(3-[6-Amino-5-(3-methyl-[1,2,4]oxadiazol-5-yl)-pyri...)
Show SMILES Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC1CC2(CC(O)C2)C1 |(5.15,-.34,;4.38,1,;5.29,2.24,;4.38,3.49,;2.92,3.01,;2.92,1.47,;1.59,3.78,;.25,3.01,;-1.08,3.78,;-1.08,5.32,;.25,6.09,;1.59,5.32,;2.92,6.09,;-2.42,3.01,;-2.42,1.47,;-3.75,.7,;-5.08,1.47,;-5.08,3.01,;-3.75,3.78,;-3.75,5.32,;-3.75,-.84,;-2.21,-.84,;-5.29,-.84,;-3.75,-2.38,;-2.42,-3.15,;-2.02,-4.63,;-.53,-4.23,;-.13,-5.72,;1.36,-5.32,;2.69,-6.09,;.96,-3.84,;-.93,-2.75,)|
Show InChI InChI=1S/C22H25N5O4S/c1-12-3-4-17(32(29,30)27-15-7-22(8-15)9-16(28)10-22)6-18(12)14-5-19(20(23)24-11-14)21-25-13(2)26-31-21/h3-6,11,15-16,27-28H,7-10H2,1-2H3,(H2,23,24)
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n/an/a 4n/an/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
The TR-FRET Adapta Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad, Calif., USA) (Cat. No. PV5099). The kit contains t...


US Patent US10112926 (2018)


BindingDB Entry DOI: 10.7270/Q22R3TQ9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM295116
PNG
(3-(6-Amino-5-(3-methylisoxazol-5-yl)pyridin-3-yl)-...)
Show SMILES Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1(CO)CCCCC1
Show InChI InChI=1S/C24H30N4O4S/c1-16-6-7-19(33(30,31)27-14-24(15-29)8-4-3-5-9-24)12-20(16)18-11-21(23(25)26-13-18)22-10-17(2)28-32-22/h6-7,10-13,27,29H,3-5,8-9,14-15H2,1-2H3,(H2,25,26)
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n/an/a 4n/an/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
The TR-FRET Adapta Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad, Calif., USA) (Cat. No. PV5099). The kit contains t...


US Patent US10112926 (2018)


BindingDB Entry DOI: 10.7270/Q22R3TQ9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM295089
PNG
(US10112926, Example 21b)
Show SMILES Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NO[C@@H]1CCOC1 |r|
Show InChI InChI=1S/C20H22N4O5S/c1-12-3-4-16(30(25,26)24-28-15-5-6-27-11-15)9-17(12)14-8-18(20(21)22-10-14)19-7-13(2)23-29-19/h3-4,7-10,15,24H,5-6,11H2,1-2H3,(H2,21,22)/t15-/m1/s1
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n/an/a 5n/an/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
The TR-FRET Adapta Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad, Calif., USA) (Cat. No. PV5099). The kit contains t...


US Patent US10112926 (2018)


BindingDB Entry DOI: 10.7270/Q22R3TQ9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM295053
PNG
(US10112926, Example 8.1 | US10112926, Example 8.2)
Show SMILES Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CC2(C[C@H](O)C2)C1 |r,wU:24.26,28.31,(5.15,-7.55,;4.38,-6.22,;5.29,-4.97,;4.38,-3.73,;2.92,-4.2,;2.92,-5.74,;1.59,-3.43,;.25,-4.2,;-1.08,-3.43,;-1.08,-1.89,;.25,-1.12,;1.59,-1.89,;2.92,-1.12,;-2.42,-4.2,;-2.42,-5.74,;-3.75,-6.51,;-5.08,-5.74,;-5.08,-4.2,;-3.75,-3.43,;-3.75,-1.89,;-3.75,-8.05,;-2.21,-8.05,;-5.29,-8.05,;-3.75,-9.59,;-2.42,-10.36,;-.93,-9.97,;-.53,-11.45,;-.13,-12.94,;1.36,-12.54,;2.69,-13.31,;.96,-11.05,;-2.02,-11.85,)|
Show InChI InChI=1S/C22H25N5O4S/c1-12-3-4-17(32(29,30)27-15-7-22(8-15)9-16(28)10-22)6-18(12)14-5-19(20(23)24-11-14)21-25-13(2)26-31-21/h3-6,11,15-16,27-28H,7-10H2,1-2H3,(H2,23,24)/t15-,16-,22?
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n/an/a 5n/an/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
The TR-FRET Adapta Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad, Calif., USA) (Cat. No. PV5099). The kit contains t...


US Patent US10112926 (2018)


BindingDB Entry DOI: 10.7270/Q22R3TQ9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50574850
PNG
(CHEMBL4857826)
Show SMILES Cc1ncc(s1)-c1nc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(C)(C)O
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n/an/a 6n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kgamma (unknown origin) using phosphatidylinositol as substrate incubated for 30 to 60 mins in presence of ATP by TR-FRET based Adap...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00986
BindingDB Entry DOI: 10.7270/Q27M0CRD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM364540
PNG
(Trans N-(4-Hydroxy-cyclohexyl)-4-methyl-3-[6-(5-mo...)
Show SMILES Cc1ccc(cc1-c1cncc(n1)-c1csc(CN2CCOCC2)c1)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:29.32,wD:32.36,(-4.16,5,;-4.16,3.47,;-5.5,2.69,;-5.5,1.15,;-4.16,.38,;-2.83,1.15,;-2.83,2.69,;-1.49,3.47,;-1.49,5,;-.16,5.78,;1.17,5,;1.17,3.47,;-.16,2.69,;2.51,2.69,;2.51,1.15,;3.97,.68,;4.88,1.93,;6.42,1.93,;7.19,.59,;6.42,-.74,;7.19,-2.08,;8.73,-2.08,;9.5,-.74,;8.73,.59,;3.97,3.17,;-4.16,-1.15,;-5.7,-1.15,;-2.62,-1.15,;-4.16,-2.69,;-5.5,-3.47,;-5.5,-5,;-6.83,-5.78,;-8.16,-5,;-9.5,-5.78,;-8.16,-3.47,;-6.83,-2.69,)|
Show InChI InChI=1S/C26H32N4O4S2/c1-18-2-7-23(36(32,33)29-20-3-5-21(31)6-4-20)13-24(18)26-15-27-14-25(28-26)19-12-22(35-17-19)16-30-8-10-34-11-9-30/h2,7,12-15,17,20-21,29,31H,3-6,8-11,16H2,1H3/t20-,21-
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n/an/a 6n/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universitat Bonn



Assay Description
PI 3-Kinase Gamma (E), PI 3-Kinase Delta (F):The TR-FRET Adapta™ Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad/CA, U...


J Med Chem 48: 7688-707 (2005)


BindingDB Entry DOI: 10.7270/Q29K4DJX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50574845
PNG
(CHEMBL4866794)
Show SMILES Cc1ncc(s1)-c1nc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:27.30,wD:24.26,(31.47,-5.01,;30,-5.48,;29.52,-6.95,;27.98,-6.95,;27.51,-5.48,;28.75,-4.58,;25.73,-4.57,;24.4,-5.34,;23.07,-4.56,;23.06,-3.03,;24.39,-2.26,;25.73,-3.03,;27.06,-2.25,;21.74,-5.34,;21.74,-6.87,;20.41,-7.64,;19.07,-6.88,;19.07,-5.35,;20.4,-4.57,;20.4,-3.03,;20.41,-9.18,;19.63,-10.51,;18.87,-9.17,;21.75,-9.95,;23.08,-9.18,;24.41,-9.94,;25.74,-9.18,;25.74,-7.64,;27.07,-6.87,;24.41,-6.86,;23.08,-7.64,)|
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n/an/a 7n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kgamma in human U937 cells assessed as reduction in AKT phosphorylation preincubated for 30 mins followed by MIP1alpha stimulation f...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00986
BindingDB Entry DOI: 10.7270/Q27M0CRD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM295044
PNG
(US10112926, Example 5.2 | trans 3-(6-Amino-5- (5-m...)
Show SMILES Cc1cnc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:24.26,wD:27.30,(7.96,1.93,;6.42,1.93,;5.51,.68,;4.05,1.15,;4.05,2.69,;5.51,3.17,;2.71,3.47,;1.38,2.69,;.05,3.47,;.05,5,;1.38,5.78,;2.71,5,;4.05,5.78,;-1.29,2.69,;-1.29,1.15,;-2.62,.38,;-3.96,1.15,;-3.96,2.69,;-2.62,3.47,;-2.62,5,;-2.62,-1.15,;-4.16,-1.15,;-1.08,-1.15,;-2.62,-2.69,;-3.96,-3.47,;-3.96,-5,;-5.29,-5.78,;-6.62,-5,;-7.96,-5.78,;-6.62,-3.47,;-5.29,-2.69,)|
Show InChI InChI=1S/C22H26N4O4S/c1-13-3-8-18(31(28,29)26-16-4-6-17(27)7-5-16)10-19(13)15-9-20(21(23)24-12-15)22-25-11-14(2)30-22/h3,8-12,16-17,26-27H,4-7H2,1-2H3,(H2,23,24)/t16-,17-
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n/an/a 7n/an/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
The TR-FRET Adapta Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad, Calif., USA) (Cat. No. PV5099). The kit contains t...


US Patent US10112926 (2018)


BindingDB Entry DOI: 10.7270/Q22R3TQ9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM295029
PNG
(3-{6-Amino-5-[1-(2,2,2-trifluoro-ethyl)-1H-pyrazol...)
Show SMILES Cc1cccc(NS(=O)(=O)c2ccc(C)c(c2)-c2cnc(N)c(c2)-c2cnn(CC(F)(F)F)c2)n1
Show InChI InChI=1S/C23H21F3N6O2S/c1-14-6-7-18(35(33,34)31-21-5-3-4-15(2)30-21)9-19(14)16-8-20(22(27)28-10-16)17-11-29-32(12-17)13-23(24,25)26/h3-12H,13H2,1-2H3,(H2,27,28)(H,30,31)
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n/an/a 7n/an/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
The TR-FRET Adapta Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad, Calif., USA) (Cat. No. PV5099). The kit contains t...


US Patent US10112926 (2018)


BindingDB Entry DOI: 10.7270/Q22R3TQ9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM295239
PNG
(3-(6-amino-5-(2- methyloxazol-5- yl)pyridin-3-yl)-...)
Show SMILES Cc1ncc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CC[C@H](CO)CC1 |r,wU:27.30,wD:24.26,(6.06,1.93,;4.52,1.93,;3.61,.68,;2.15,1.15,;2.15,2.69,;3.61,3.17,;.82,3.47,;-.52,2.69,;-1.85,3.47,;-1.85,5,;-.52,5.78,;.82,5,;2.15,5.78,;-3.19,2.69,;-3.19,1.15,;-4.52,.38,;-5.85,1.15,;-5.85,2.69,;-4.52,3.47,;-4.52,5,;-4.52,-1.15,;-6.06,-1.15,;-2.98,-1.15,;-4.52,-2.69,;-3.19,-3.47,;-3.19,-5,;-1.85,-5.78,;-.52,-5,;.82,-5.78,;2.15,-5,;-.52,-3.47,;-1.85,-2.69,)|
Show InChI InChI=1S/C23H28N4O4S/c1-14-3-8-19(32(29,30)27-18-6-4-16(13-28)5-7-18)10-20(14)17-9-21(23(24)26-11-17)22-12-25-15(2)31-22/h3,8-12,16,18,27-28H,4-7,13H2,1-2H3,(H2,24,26)/t16-,18-
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n/an/a 7n/an/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
The TR-FRET Adapta Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad, Calif., USA) (Cat. No. PV5099). The kit contains t...


US Patent US10112926 (2018)


BindingDB Entry DOI: 10.7270/Q22R3TQ9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM295105
PNG
(3-(6-Amino-5-(3-propyl isoxazol-5-yl)pyridin-3-yl)...)
Show SMILES CCCc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(C)(C)O
Show InChI InChI=1S/C22H28N4O4S/c1-5-6-16-10-20(30-26-16)19-9-15(12-24-21(19)23)18-11-17(8-7-14(18)2)31(28,29)25-13-22(3,4)27/h7-12,25,27H,5-6,13H2,1-4H3,(H2,23,24)
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n/an/a 8n/an/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
The TR-FRET Adapta Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad, Calif., USA) (Cat. No. PV5099). The kit contains t...


US Patent US10112926 (2018)


BindingDB Entry DOI: 10.7270/Q22R3TQ9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM295170
PNG
(US10112926, Example 55 | trans-3-(6-Amino-5-(3-met...)
Show SMILES Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NO[C@H]1C[C@H](O)C1 |r,wU:27.30,wD:25.27,(7.68,-1.27,;6.91,.07,;7.81,1.31,;6.91,2.56,;5.45,2.08,;5.45,.54,;4.11,2.85,;2.78,2.08,;1.44,2.85,;1.44,4.39,;2.78,5.16,;4.11,4.39,;5.45,5.16,;.11,2.08,;.11,.54,;-1.22,-.23,;-2.56,.54,;-2.56,2.08,;-1.22,2.85,;-1.22,4.39,;-1.22,-1.77,;.32,-1.77,;-2.76,-1.77,;-1.22,-3.31,;-2.56,-4.08,;-4.1,-4.08,;-5.19,-2.99,;-6.27,-4.08,;-7.81,-4.08,;-5.19,-5.16,)|
Show InChI InChI=1S/C19H21N5O5S/c1-10-3-4-15(30(26,27)24-28-14-6-13(25)7-14)8-16(10)12-5-17(18(20)21-9-12)19-22-11(2)23-29-19/h3-5,8-9,13-14,24-25H,6-7H2,1-2H3,(H2,20,21)/t13-,14-
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n/an/a 8n/an/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
The TR-FRET Adapta Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad, Calif., USA) (Cat. No. PV5099). The kit contains t...


US Patent US10112926 (2018)


BindingDB Entry DOI: 10.7270/Q22R3TQ9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM295058
PNG
(US10112926, Example 12 | trans 3-[6-Amino-5-(3-met...)
Show SMILES Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:24.26,wD:27.30,(7.05,-.65,;6.28,.68,;7.19,1.93,;6.28,3.17,;4.82,2.69,;4.82,1.15,;3.48,3.47,;2.15,2.69,;.82,3.47,;.82,5,;2.15,5.78,;3.48,5,;4.82,5.78,;-.52,2.69,;-.52,1.15,;-1.85,.38,;-3.19,1.15,;-3.19,2.69,;-1.85,3.47,;-1.85,5,;-1.85,-1.15,;-.31,-1.15,;-3.39,-1.15,;-1.85,-2.69,;-3.19,-3.47,;-3.19,-5,;-4.52,-5.78,;-5.85,-5,;-7.19,-5.78,;-5.85,-3.47,;-4.52,-2.69,)|
Show InChI InChI=1S/C21H25N5O4S/c1-12-3-8-17(31(28,29)26-15-4-6-16(27)7-5-15)10-18(12)14-9-19(20(22)23-11-14)21-24-13(2)25-30-21/h3,8-11,15-16,26-27H,4-7H2,1-2H3,(H2,22,23)/t15-,16-
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n/an/a 8n/an/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
The TR-FRET Adapta Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad, Calif., USA) (Cat. No. PV5099). The kit contains t...


US Patent US10112926 (2018)


BindingDB Entry DOI: 10.7270/Q22R3TQ9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM295034
PNG
(US10112926, Example 4.2 | trans 3-(6-Amino-5-(1- (...)
Show SMILES Cc1ccc(cc1-c1cnc(N)c(c1)-c1cnn(CC(F)(F)F)c1)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:28.30,wD:31.34,(-5.65,4.23,;-5.65,2.69,;-6.98,1.92,;-6.98,.38,;-5.65,-.39,;-4.31,.38,;-4.31,1.92,;-2.98,2.7,;-2.98,4.24,;-1.65,5,;-.31,4.24,;1.02,5.01,;-.31,2.7,;-1.65,1.93,;1.02,1.92,;1.02,.38,;2.49,-.09,;3.39,1.15,;4.93,1.15,;5.7,2.49,;4.93,3.82,;6.47,3.82,;7.19,2.09,;2.49,2.4,;-5.65,-1.93,;-7.19,-1.93,;-4.11,-1.93,;-5.65,-3.47,;-4.31,-4.24,;-2.98,-3.47,;-1.65,-4.24,;-1.65,-5.78,;-.31,-6.55,;-2.98,-6.55,;-4.31,-5.78,)|
Show InChI InChI=1S/C23H26F3N5O3S/c1-14-2-7-19(35(33,34)30-17-3-5-18(32)6-4-17)9-20(14)15-8-21(22(27)28-10-15)16-11-29-31(12-16)13-23(24,25)26/h2,7-12,17-18,30,32H,3-6,13H2,1H3,(H2,27,28)/t17-,18-
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n/an/a 8n/an/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
The TR-FRET Adapta Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad, Calif., USA) (Cat. No. PV5099). The kit contains t...


US Patent US10112926 (2018)


BindingDB Entry DOI: 10.7270/Q22R3TQ9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM295205
PNG
(US10112926, Example 84 | cis-3-(6-Amino-5-(3-methy...)
Show SMILES Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC[C@@H]1C[C@H](O)C1 |r,wU:25.27,27.30,(5.15,.82,;4.38,2.15,;2.92,2.63,;2.92,4.17,;4.38,4.64,;5.29,3.4,;1.59,4.94,;.25,4.17,;-1.08,4.94,;-1.08,6.48,;.25,7.25,;1.59,6.48,;2.92,7.25,;-2.42,4.17,;-2.42,2.63,;-3.75,1.86,;-5.08,2.63,;-5.08,4.17,;-3.75,4.94,;-3.75,6.48,;-3.75,.32,;-2.21,.32,;-5.29,.32,;-3.75,-1.22,;-2.42,-1.99,;-2.42,-3.53,;-3.5,-4.62,;-2.42,-5.71,;-2.42,-7.25,;-1.33,-4.62,)|
Show InChI InChI=1S/C21H24N4O4S/c1-12-3-4-17(30(27,28)24-10-14-6-16(26)7-14)9-18(12)15-8-19(21(22)23-11-15)20-5-13(2)25-29-20/h3-5,8-9,11,14,16,24,26H,6-7,10H2,1-2H3,(H2,22,23)/t14-,16+
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n/an/a 8n/an/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
The TR-FRET Adapta Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad, Calif., USA) (Cat. No. PV5099). The kit contains t...


US Patent US10112926 (2018)


BindingDB Entry DOI: 10.7270/Q22R3TQ9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50574856
PNG
(CHEMBL4864109)
Show SMILES Cc1nn(C)nc1-c1nc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(C)(C)O
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n/an/a 9n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kgamma in human U937 cells assessed as reduction in AKT phosphorylation preincubated for 30 mins followed by MIP1alpha stimulation f...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00986
BindingDB Entry DOI: 10.7270/Q27M0CRD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50574848
PNG
(CHEMBL4850655)
Show SMILES Cc1ncc(s1)-c1nc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCCC(C)(C)O
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n/an/a 9n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kgamma (unknown origin) using phosphatidylinositol as substrate incubated for 30 to 60 mins in presence of ATP by TR-FRET based Adap...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00986
BindingDB Entry DOI: 10.7270/Q27M0CRD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM295182
PNG
(3-(6-Amino-5-(2-methyloxazol-5-yl)pyridin-3-yl)-N-...)
Show SMILES Cc1ncc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1(CO)COC1
Show InChI InChI=1S/C21H24N4O5S/c1-13-3-4-16(31(27,28)25-9-21(10-26)11-29-12-21)6-17(13)15-5-18(20(22)24-7-15)19-8-23-14(2)30-19/h3-8,25-26H,9-12H2,1-2H3,(H2,22,24)
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n/an/a 9n/an/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
The TR-FRET Adapta Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad, Calif., USA) (Cat. No. PV5099). The kit contains t...


US Patent US10112926 (2018)


BindingDB Entry DOI: 10.7270/Q22R3TQ9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM295106
PNG
(US10112926, Example 35.2 | trans-3-(6-Amino-5-(3-(...)
Show SMILES Cc1ccc(cc1-c1cnc(N)c(c1)-c1cc(no1)C(C)(C)C)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:27.29,wD:30.33,(-4.24,5,;-4.24,3.46,;-5.57,2.69,;-5.57,1.15,;-4.24,.38,;-2.91,1.15,;-2.91,2.69,;-1.57,3.46,;-1.57,5,;-.24,5.77,;1.1,5,;2.43,5.77,;1.1,3.46,;-.24,2.69,;2.43,2.69,;2.43,1.15,;3.89,.68,;4.8,1.92,;3.89,3.17,;4.29,-.81,;5.78,-1.21,;3.2,-1.9,;4.69,-2.3,;-4.24,-1.15,;-2.7,-1.16,;-5.78,-1.15,;-4.24,-2.69,;-2.91,-3.46,;-1.57,-2.69,;-.24,-3.46,;-.24,-5,;1.1,-5.77,;-1.57,-5.77,;-2.91,-5,)|
Show InChI InChI=1S/C25H32N4O4S/c1-15-5-10-19(34(31,32)29-17-6-8-18(30)9-7-17)12-20(15)16-11-21(24(26)27-14-16)22-13-23(28-33-22)25(2,3)4/h5,10-14,17-18,29-30H,6-9H2,1-4H3,(H2,26,27)/t17-,18-
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n/an/a 9n/an/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
The TR-FRET Adapta Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad, Calif., USA) (Cat. No. PV5099). The kit contains t...


US Patent US10112926 (2018)


BindingDB Entry DOI: 10.7270/Q22R3TQ9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM295218
PNG
(US10112926, Example 96 | trans-3-(6-amino-5-(3-met...)
Show SMILES Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC1CC[C@@H](O)C1 |r|
Show InChI InChI=1S/C21H24N4O4S/c1-12-3-6-17(30(27,28)25-15-4-5-16(26)9-15)10-18(12)14-8-19(21(22)23-11-14)20-7-13(2)24-29-20/h3,6-8,10-11,15-16,25-26H,4-5,9H2,1-2H3,(H2,22,23)/t15?,16-/m1/s1
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n/an/a 9n/an/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
The TR-FRET Adapta Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad, Calif., USA) (Cat. No. PV5099). The kit contains t...


US Patent US10112926 (2018)


BindingDB Entry DOI: 10.7270/Q22R3TQ9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM295245
PNG
(3-(6-amino-5-(5-methyl-1,3,4-thiadiazol-2-yl)pyrid...)
Show SMILES Cc1nnc(s1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCCC(C)(C)O
Show InChI InChI=1S/C20H25N5O3S2/c1-12-5-6-15(30(27,28)23-8-7-20(3,4)26)10-16(12)14-9-17(18(21)22-11-14)19-25-24-13(2)29-19/h5-6,9-11,23,26H,7-8H2,1-4H3,(H2,21,22)
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n/an/a 9.40n/an/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
The TR-FRET Adapta Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad, Calif., USA) (Cat. No. PV5099). The kit contains t...


US Patent US10112926 (2018)


BindingDB Entry DOI: 10.7270/Q22R3TQ9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50395821
PNG
(CHEMBL2165191)
Show SMILES C[C@@H](Nc1ccccc1C(O)=O)c1cc(C)cn2c1nc(cc2=O)N1CCOCC1 |r|
Show InChI InChI=1S/C22H24N4O4/c1-14-11-17(15(2)23-18-6-4-3-5-16(18)22(28)29)21-24-19(12-20(27)26(21)13-14)25-7-9-30-10-8-25/h3-6,11-13,15,23H,7-10H2,1-2H3,(H,28,29)/t15-/m1/s1
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n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human PI3Kbeta assessed as reduction in PIP3 formation by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00986
BindingDB Entry DOI: 10.7270/Q27M0CRD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM364537
PNG
(N-(3-Hydroxy-3-methyl-butyl)-4-methyl-3-{6-[1-(2-m...)
Show SMILES Cc1ccc(cc1-c1cncc(n1)-c1cnn(CCN2CCOCC2)c1)S(=O)(=O)NCCC(C)(C)O
Show InChI InChI=1S/C25H34N6O4S/c1-19-4-5-21(36(33,34)28-7-6-25(2,3)32)14-22(19)24-17-26-16-23(29-24)20-15-27-31(18-20)9-8-30-10-12-35-13-11-30/h4-5,14-18,28,32H,6-13H2,1-3H3
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n/an/a 10n/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universitat Bonn



Assay Description
PI 3-Kinase Alpha (A), Pb 3-Kinase Beta (B), Vps34 (C), PI 4-Kinase Beta (D):The luminescence-based ATP detection reagent KinaseGlo was obtained from...


J Med Chem 48: 7688-707 (2005)


BindingDB Entry DOI: 10.7270/Q29K4DJX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM295063
PNG
(3-[6-Amino-5-(3-methyl-isoxazol-5-yl)-pyridin-3-yl...)
Show SMILES Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1(C)COC1
Show InChI InChI=1S/C21H24N4O4S/c1-13-4-5-16(30(26,27)24-10-21(3)11-28-12-21)8-17(13)15-7-18(20(22)23-9-15)19-6-14(2)25-29-19/h4-9,24H,10-12H2,1-3H3,(H2,22,23)
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n/an/a 10n/an/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
The TR-FRET Adapta Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad, Calif., USA) (Cat. No. PV5099). The kit contains t...


US Patent US10112926 (2018)


BindingDB Entry DOI: 10.7270/Q22R3TQ9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM295099
PNG
(3-(6-Amino-5-(1-methyl-1H-pyrazol-4-yl)pyridin-3-y...)
Show SMILES Cc1cccc(NS(=O)(=O)c2ccc(C)c(c2)-c2cnc(N)c(c2)-c2cnn(C)c2)n1
Show InChI InChI=1S/C22H22N6O2S/c1-14-7-8-18(31(29,30)27-21-6-4-5-15(2)26-21)10-19(14)16-9-20(22(23)24-11-16)17-12-25-28(3)13-17/h4-13H,1-3H3,(H2,23,24)(H,26,27)
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n/an/a 10n/an/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
The TR-FRET Adapta Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad, Calif., USA) (Cat. No. PV5099). The kit contains t...


US Patent US10112926 (2018)


BindingDB Entry DOI: 10.7270/Q22R3TQ9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM364540
PNG
(Trans N-(4-Hydroxy-cyclohexyl)-4-methyl-3-[6-(5-mo...)
Show SMILES Cc1ccc(cc1-c1cncc(n1)-c1csc(CN2CCOCC2)c1)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:29.32,wD:32.36,(-4.16,5,;-4.16,3.47,;-5.5,2.69,;-5.5,1.15,;-4.16,.38,;-2.83,1.15,;-2.83,2.69,;-1.49,3.47,;-1.49,5,;-.16,5.78,;1.17,5,;1.17,3.47,;-.16,2.69,;2.51,2.69,;2.51,1.15,;3.97,.68,;4.88,1.93,;6.42,1.93,;7.19,.59,;6.42,-.74,;7.19,-2.08,;8.73,-2.08,;9.5,-.74,;8.73,.59,;3.97,3.17,;-4.16,-1.15,;-5.7,-1.15,;-2.62,-1.15,;-4.16,-2.69,;-5.5,-3.47,;-5.5,-5,;-6.83,-5.78,;-8.16,-5,;-9.5,-5.78,;-8.16,-3.47,;-6.83,-2.69,)|
Show InChI InChI=1S/C26H32N4O4S2/c1-18-2-7-23(36(32,33)29-20-3-5-21(31)6-4-20)13-24(18)26-15-27-14-25(28-26)19-12-22(35-17-19)16-30-8-10-34-11-9-30/h2,7,12-15,17,20-21,29,31H,3-6,8-11,16H2,1H3/t20-,21-
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n/an/a 10n/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universitat Bonn



Assay Description
PI 3-Kinase Alpha (A), Pb 3-Kinase Beta (B), Vps34 (C), PI 4-Kinase Beta (D):The luminescence-based ATP detection reagent KinaseGlo was obtained from...


J Med Chem 48: 7688-707 (2005)


BindingDB Entry DOI: 10.7270/Q29K4DJX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM364535
PNG
(Cis 3-[6-(1,3-Dimethyl-1H-pyrazol-4-yl)-pyrazin-2-...)
Show SMILES Cc1nn(C)cc1-c1cncc(n1)-c1cc(ccc1C)S(=O)(=O)NC[C@@H]1C[C@H](O)C1 |r,wU:25.27,27.30,(3.96,6.23,;3.96,4.69,;5.2,3.78,;4.73,2.32,;5.5,.99,;3.19,2.32,;2.71,3.78,;1.38,4.55,;1.38,6.09,;.04,6.86,;-1.29,6.09,;-1.29,4.55,;.04,3.78,;-2.62,3.78,;-2.62,2.24,;-3.96,1.47,;-5.29,2.24,;-5.29,3.78,;-3.96,4.55,;-3.96,6.09,;-3.96,-.07,;-2.42,-.07,;-5.5,-.07,;-3.96,-1.61,;-3.96,-3.15,;-2.87,-4.24,;-2.87,-5.78,;-1.33,-5.78,;-.24,-6.86,;-1.33,-4.24,)|
Show InChI InChI=1S/C21H25N5O3S/c1-13-4-5-17(30(28,29)23-9-15-6-16(27)7-15)8-18(13)20-10-22-11-21(24-20)19-12-26(3)25-14(19)2/h4-5,8,10-12,15-16,23,27H,6-7,9H2,1-3H3/t15-,16+
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n/an/a 11n/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universitat Bonn



Assay Description
PI 3-Kinase Gamma (E), PI 3-Kinase Delta (F):The TR-FRET Adapta™ Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad/CA, U...


J Med Chem 48: 7688-707 (2005)


BindingDB Entry DOI: 10.7270/Q29K4DJX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM295049
PNG
(3-(6-Amino-5-(5- methyl-1,3,4-oxa- diazol-2-yl)pyr...)
Show SMILES Cc1nnc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCCC(C)(C)O
Show InChI InChI=1S/C20H25N5O4S/c1-12-5-6-15(30(27,28)23-8-7-20(3,4)26)10-16(12)14-9-17(18(21)22-11-14)19-25-24-13(2)29-19/h5-6,9-11,23,26H,7-8H2,1-4H3,(H2,21,22)
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n/an/a 11n/an/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
The TR-FRET Adapta Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad, Calif., USA) (Cat. No. PV5099). The kit contains t...


US Patent US10112926 (2018)


BindingDB Entry DOI: 10.7270/Q22R3TQ9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM295042
PNG
(3-[6-Amino-5-(3-methyl-[1,2,4]oxadiazol-5-yl)-pyri...)
Show SMILES Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCCC(C)(C)O
Show InChI InChI=1S/C20H25N5O4S/c1-12-5-6-15(30(27,28)23-8-7-20(3,4)26)10-16(12)14-9-17(18(21)22-11-14)19-24-13(2)25-29-19/h5-6,9-11,23,26H,7-8H2,1-4H3,(H2,21,22)
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n/an/a 11n/an/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
The TR-FRET Adapta Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad, Calif., USA) (Cat. No. PV5099). The kit contains t...


US Patent US10112926 (2018)


BindingDB Entry DOI: 10.7270/Q22R3TQ9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM295032
PNG
(3-(6-Amino-5-(2-methylthiazol-5-yl)pyridin-3-yl)-N...)
Show SMILES Cc1ncc(s1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCCC(C)(C)O
Show InChI InChI=1S/C21H26N4O3S2/c1-13-5-6-16(30(27,28)25-8-7-21(3,4)26)10-17(13)15-9-18(20(22)24-11-15)19-12-23-14(2)29-19/h5-6,9-12,25-26H,7-8H2,1-4H3,(H2,22,24)
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n/an/a 11n/an/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
The TR-FRET Adapta Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad, Calif., USA) (Cat. No. PV5099). The kit contains t...


US Patent US10112926 (2018)


BindingDB Entry DOI: 10.7270/Q22R3TQ9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM295061
PNG
(3-[6-Amino-5-(2-methyl-thiazol-5-yl)-pyridin-3-yl]...)
Show SMILES Cc1ncc(s1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(C)(C)O
Show InChI InChI=1S/C20H24N4O3S2/c1-12-5-6-15(29(26,27)24-11-20(3,4)25)8-16(12)14-7-17(19(21)23-9-14)18-10-22-13(2)28-18/h5-10,24-25H,11H2,1-4H3,(H2,21,23)
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n/an/a 12n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kgamma (unknown origin) using phosphatidylinositol as substrate incubated for 30 to 60 mins in presence of ATP by TR-FRET based Adap...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00986
BindingDB Entry DOI: 10.7270/Q27M0CRD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM295211
PNG
(3-(6-Amino-5-(5-methylthiazol-2-yl)pyridin-3-yl)-N...)
Show SMILES Cc1cnc(s1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(C)(C)O
Show InChI InChI=1S/C20H24N4O3S2/c1-12-5-6-15(29(26,27)24-11-20(3,4)25)8-16(12)14-7-17(18(21)22-10-14)19-23-9-13(2)28-19/h5-10,24-25H,11H2,1-4H3,(H2,21,22)
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n/an/a 12n/an/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
The TR-FRET Adapta Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad, Calif., USA) (Cat. No. PV5099). The kit contains t...


US Patent US10112926 (2018)


BindingDB Entry DOI: 10.7270/Q22R3TQ9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM295061
PNG
(3-[6-Amino-5-(2-methyl-thiazol-5-yl)-pyridin-3-yl]...)
Show SMILES Cc1ncc(s1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(C)(C)O
Show InChI InChI=1S/C20H24N4O3S2/c1-12-5-6-15(29(26,27)24-11-20(3,4)25)8-16(12)14-7-17(19(21)23-9-14)18-10-22-13(2)28-18/h5-10,24-25H,11H2,1-4H3,(H2,21,23)
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n/an/a 12n/an/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
The TR-FRET Adapta Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad, Calif., USA) (Cat. No. PV5099). The kit contains t...


US Patent US10112926 (2018)


BindingDB Entry DOI: 10.7270/Q22R3TQ9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM295057
PNG
(3-[6-Amino-5-(3-methyl-[1,2,4]oxadiazol-5-yl)-pyri...)
Show SMILES Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NOCC(C)(C)O
Show InChI InChI=1S/C19H23N5O5S/c1-11-5-6-14(30(26,27)24-28-10-19(3,4)25)8-15(11)13-7-16(17(20)21-9-13)18-22-12(2)23-29-18/h5-9,24-25H,10H2,1-4H3,(H2,20,21)
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n/an/a 12n/an/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
The TR-FRET Adapta Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad, Calif., USA) (Cat. No. PV5099). The kit contains t...


US Patent US10112926 (2018)


BindingDB Entry DOI: 10.7270/Q22R3TQ9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM295219
PNG
(3-(6-amino-5-(2-methylthiazol-5-yl)pyridin-3-yl)-N...)
Show SMILES Cc1ncc(s1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:27.30,wD:24.26,(10.26,-1.16,;8.72,-1.16,;7.82,-2.4,;6.35,-1.92,;6.35,-.39,;7.82,.09,;5.02,.39,;3.69,-.39,;2.35,.39,;2.35,1.92,;3.69,2.69,;5.02,1.92,;6.35,2.69,;1.02,-.39,;-.31,.39,;-1.65,-.39,;-1.65,-1.92,;-.31,-2.69,;1.02,-1.92,;2.35,-2.69,;-2.98,.39,;-2.21,1.72,;-3.75,-.95,;-4.31,1.16,;-5.8,.76,;-6.89,1.85,;-8.38,1.45,;-8.78,-.04,;-10.26,-.44,;-7.69,-1.13,;-6.2,-.73,)|
Show InChI InChI=1S/C22H26N4O3S2/c1-13-3-8-18(31(28,29)26-16-4-6-17(27)7-5-16)10-19(13)15-9-20(22(23)25-11-15)21-12-24-14(2)30-21/h3,8-12,16-17,26-27H,4-7H2,1-2H3,(H2,23,25)/t16-,17-
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n/an/a 12n/an/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
The TR-FRET Adapta Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad, Calif., USA) (Cat. No. PV5099). The kit contains t...


US Patent US10112926 (2018)


BindingDB Entry DOI: 10.7270/Q22R3TQ9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM295246
PNG
(3-(6-amino-5-(2-methyl-2H-1,2,3-triazol-4-yl)pyrid...)
Show SMILES Cc1ccc(cc1-c1cnc(N)c(c1)-c1cnn(C)n1)S(=O)(=O)NCCC(C)(C)O
Show InChI InChI=1S/C20H26N6O3S/c1-13-5-6-15(30(28,29)24-8-7-20(2,3)27)10-16(13)14-9-17(19(21)22-11-14)18-12-23-26(4)25-18/h5-6,9-12,24,27H,7-8H2,1-4H3,(H2,21,22)
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n/an/a 13n/an/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
The TR-FRET Adapta Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad, Calif., USA) (Cat. No. PV5099). The kit contains t...


US Patent US10112926 (2018)


BindingDB Entry DOI: 10.7270/Q22R3TQ9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM364534
PNG
(3-[6-(1,3-Dimethyl-1H-pyrazol-4-yl)-pyrazin-2-yl]-...)
Show SMILES Cc1nn(C)cc1-c1cncc(n1)-c1cc(ccc1C)S(=O)(=O)NC1CC2(CC(O)C2)C1 |(4.78,4.98,;4.38,3.49,;5.29,2.24,;4.38,1,;4.78,-.49,;2.92,1.47,;2.92,3.01,;1.59,3.78,;1.59,5.32,;.25,6.09,;-1.08,5.32,;-1.08,3.78,;.25,3.01,;-2.42,3.01,;-2.42,1.47,;-3.75,.7,;-5.08,1.47,;-5.08,3.01,;-3.75,3.78,;-3.75,5.32,;-3.75,-.84,;-2.21,-.84,;-5.29,-.84,;-3.75,-2.38,;-2.42,-3.15,;-2.02,-4.63,;-.53,-4.23,;-.13,-5.72,;1.36,-5.32,;2.69,-6.09,;.96,-3.84,;-.93,-2.75,)|
Show InChI InChI=1S/C23H27N5O3S/c1-14-4-5-18(32(30,31)27-16-7-23(8-16)9-17(29)10-23)6-19(14)21-11-24-12-22(25-21)20-13-28(3)26-15(20)2/h4-6,11-13,16-17,27,29H,7-10H2,1-3H3
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n/an/a 13n/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universitat Bonn



Assay Description
PI 3-Kinase Gamma (E), PI 3-Kinase Delta (F):The TR-FRET Adapta™ Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad/CA, U...


J Med Chem 48: 7688-707 (2005)


BindingDB Entry DOI: 10.7270/Q29K4DJX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50574847
PNG
(CHEMBL4855904)
Show SMILES Cc1ncc(s1)-c1nc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCCCO
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n/an/a 13n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kgamma (unknown origin) using phosphatidylinositol as substrate incubated for 30 to 60 mins in presence of ATP by TR-FRET based Adap...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00986
BindingDB Entry DOI: 10.7270/Q27M0CRD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM295213
PNG
(3-(6-Amino-5-(2-methylthiazol-4-yl)pyridin-3-yl)-N...)
Show SMILES Cc1nc(cs1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:27.30,wD:24.26,(6.06,2.56,;4.52,2.56,;3.61,3.81,;2.15,3.33,;2.15,1.79,;3.61,1.32,;.82,4.1,;-.52,3.33,;-1.85,4.1,;-1.85,5.64,;-.52,6.41,;.82,5.64,;2.15,6.41,;-3.19,3.33,;-3.19,1.79,;-4.52,1.02,;-5.85,1.79,;-5.85,3.33,;-4.52,4.1,;-4.52,5.64,;-4.52,-.52,;-2.98,-.52,;-6.06,-.52,;-4.52,-2.06,;-3.43,-3.15,;-3.83,-4.63,;-2.74,-5.72,;-1.25,-5.32,;-.16,-6.41,;-.85,-3.84,;-1.94,-2.75,)|
Show InChI InChI=1S/C22H26N4O3S2/c1-13-3-8-18(31(28,29)26-16-4-6-17(27)7-5-16)10-19(13)15-9-20(22(23)24-11-15)21-12-30-14(2)25-21/h3,8-12,16-17,26-27H,4-7H2,1-2H3,(H2,23,24)/t16-,17-
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n/an/a 13n/an/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
The TR-FRET Adapta Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad, Calif., USA) (Cat. No. PV5099). The kit contains t...


US Patent US10112926 (2018)


BindingDB Entry DOI: 10.7270/Q22R3TQ9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM295258
PNG
(3-(6-Amino-5-(2-cyclopropyloxazol-5-yl)pyridin-3-y...)
Show SMILES Cc1ccc(cc1-c1cnc(N)c(c1)-c1cnc(o1)C1CC1)S(=O)(=O)NCC(C)(C)O
Show InChI InChI=1S/C22H26N4O4S/c1-13-4-7-16(31(28,29)26-12-22(2,3)27)9-17(13)15-8-18(20(23)24-10-15)19-11-25-21(30-19)14-5-6-14/h4,7-11,14,26-27H,5-6,12H2,1-3H3,(H2,23,24)
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n/an/a 13n/an/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
The TR-FRET Adapta Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad, Calif., USA) (Cat. No. PV5099). The kit contains t...


US Patent US10112926 (2018)


BindingDB Entry DOI: 10.7270/Q22R3TQ9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM295235
PNG
(3-(6-amino-5-(2- methyloxazol-5- yl)pyridin-3-yl)-...)
Show SMILES Cc1ncc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1(O)COC1
Show InChI InChI=1S/C20H22N4O5S/c1-12-3-4-15(30(26,27)24-9-20(25)10-28-11-20)6-16(12)14-5-17(19(21)23-7-14)18-8-22-13(2)29-18/h3-8,24-25H,9-11H2,1-2H3,(H2,21,23)
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n/an/a 13n/an/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
The TR-FRET Adapta Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad, Calif., USA) (Cat. No. PV5099). The kit contains t...


US Patent US10112926 (2018)


BindingDB Entry DOI: 10.7270/Q22R3TQ9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM295088
PNG
(US10112926, Example 21a)
Show SMILES Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NO[C@H]1CCOC1 |r|
Show InChI InChI=1S/C20H22N4O5S/c1-12-3-4-16(30(25,26)24-28-15-5-6-27-11-15)9-17(12)14-8-18(20(21)22-10-14)19-7-13(2)23-29-19/h3-4,7-10,15,24H,5-6,11H2,1-2H3,(H2,21,22)/t15-/m0/s1
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Novartis AG

US Patent


Assay Description
The TR-FRET Adapta Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad, Calif., USA) (Cat. No. PV5099). The kit contains t...


US Patent US10112926 (2018)


BindingDB Entry DOI: 10.7270/Q22R3TQ9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM295209
PNG
(5-(6-Amino-5-(3-methylisoxazol-5-yl)pyridin-3-yl)-...)
Show SMILES Cc1cc(on1)-c1cc(cnc1N)-c1cc(c(Cl)cc1C)S(=O)(=O)NCC(C)(C)O
Show InChI InChI=1S/C20H23ClN4O4S/c1-11-5-16(21)18(30(27,28)24-10-20(3,4)26)8-14(11)13-7-15(19(22)23-9-13)17-6-12(2)25-29-17/h5-9,24,26H,10H2,1-4H3,(H2,22,23)
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Novartis AG

US Patent


Assay Description
The TR-FRET Adapta Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad, Calif., USA) (Cat. No. PV5099). The kit contains t...


US Patent US10112926 (2018)


BindingDB Entry DOI: 10.7270/Q22R3TQ9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM295060
PNG
(3-[6-Amino-5-(3-methyl-isoxazol-5-yl)-pyridin-3-yl...)
Show SMILES Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCCC(C)(C)O
Show InChI InChI=1S/C21H26N4O4S/c1-13-5-6-16(30(27,28)24-8-7-21(3,4)26)11-17(13)15-10-18(20(22)23-12-15)19-9-14(2)25-29-19/h5-6,9-12,24,26H,7-8H2,1-4H3,(H2,22,23)
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Novartis AG

US Patent


Assay Description
The TR-FRET Adapta Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad, Calif., USA) (Cat. No. PV5099). The kit contains t...


US Patent US10112926 (2018)


BindingDB Entry DOI: 10.7270/Q22R3TQ9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM295117
PNG
((R)-3-(6-Amino-5-(3-methylisoxazol-5-yl)pyridin-3-...)
Show SMILES Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@@H]1CCNC(=O)C1 |r|
Show InChI InChI=1S/C21H23N5O4S/c1-12-3-4-16(31(28,29)26-15-5-6-23-20(27)9-15)10-17(12)14-8-18(21(22)24-11-14)19-7-13(2)25-30-19/h3-4,7-8,10-11,15,26H,5-6,9H2,1-2H3,(H2,22,24)(H,23,27)/t15-/m1/s1
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Novartis AG

US Patent


Assay Description
The TR-FRET Adapta Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad, Calif., USA) (Cat. No. PV5099). The kit contains t...


US Patent US10112926 (2018)


BindingDB Entry DOI: 10.7270/Q22R3TQ9
More data for this
Ligand-Target Pair
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