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Compile Data Set for Download or QSAR

Found 98 hits Enz. Inhib. hit(s) with all data for entry = 50014322   
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))
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))
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))
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))
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))
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 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 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))
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))
BDBM50574854
PNG
(CHEMBL4849042)
Show SMILES Cc1cc(on1)-c1nc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(C)(C)O
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n/an/a 14n/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))
BDBM50574849
PNG
(CHEMBL4863328)
Show SMILES Cc1ncc(s1)-c1nc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCCO
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n/an/a 14n/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))
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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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))
BDBM50574860
PNG
(CHEMBL4859017)
Show SMILES Cc1ccc(cc1-c1cnc(N)c(n1)C(=O)C1CC1)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:23.25,wD:26.29,(8.47,-3.48,;7.14,-4.25,;5.8,-3.49,;4.47,-4.26,;4.48,-5.79,;5.81,-6.57,;7.15,-5.79,;8.48,-6.56,;8.48,-8.1,;9.81,-8.87,;11.14,-8.09,;12.48,-8.86,;11.14,-6.54,;9.8,-5.78,;12.46,-5.77,;12.46,-4.23,;13.8,-6.53,;14.57,-7.86,;15.34,-6.52,;3.14,-6.56,;1.6,-6.56,;2.38,-5.23,;3.15,-8.11,;4.49,-8.87,;5.82,-8.1,;7.15,-8.87,;7.15,-10.41,;8.48,-11.19,;5.82,-11.18,;4.49,-10.41,)|
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n/an/a 15n/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))
BDBM50574847
PNG
(CHEMBL4855904)
Show SMILES Cc1ncc(s1)-c1nc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCCCO
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n/an/a 24n/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))
BDBM50574860
PNG
(CHEMBL4859017)
Show SMILES Cc1ccc(cc1-c1cnc(N)c(n1)C(=O)C1CC1)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:23.25,wD:26.29,(8.47,-3.48,;7.14,-4.25,;5.8,-3.49,;4.47,-4.26,;4.48,-5.79,;5.81,-6.57,;7.15,-5.79,;8.48,-6.56,;8.48,-8.1,;9.81,-8.87,;11.14,-8.09,;12.48,-8.86,;11.14,-6.54,;9.8,-5.78,;12.46,-5.77,;12.46,-4.23,;13.8,-6.53,;14.57,-7.86,;15.34,-6.52,;3.14,-6.56,;1.6,-6.56,;2.38,-5.23,;3.15,-8.11,;4.49,-8.87,;5.82,-8.1,;7.15,-8.87,;7.15,-10.41,;8.48,-11.19,;5.82,-11.18,;4.49,-10.41,)|
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n/an/a 24n/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))
BDBM295051
PNG
(3-(6-Amino-5-(3-methylisoxazol-5-yl)pyridin-3-yl)-...)
Show SMILES Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(C)(C)O
Show InChI InChI=1S/C20H24N4O4S/c1-12-5-6-15(29(26,27)23-11-20(3,4)25)9-16(12)14-8-17(19(21)22-10-14)18-7-13(2)24-28-18/h5-10,23,25H,11H2,1-4H3,(H2,21,22)
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n/an/a 24n/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))
BDBM50574851
PNG
(CHEMBL4848126)
Show SMILES Cc1ccc(cc1-c1cnc(N)c(n1)-c1cnn(C)n1)S(=O)(=O)NCC(C)(C)O
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n/an/a 25n/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))
BDBM50574846
PNG
(CHEMBL4867254)
Show SMILES Cc1ncc(s1)-c1nc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC1CCC(F)(F)CC1
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n/an/a 26n/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))
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 28n/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))
BDBM50574855
PNG
(CHEMBL4878811)
Show SMILES Cc1nn(C)cc1-c1nc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(C)(C)O
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n/an/a 28n/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 alpha 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 34n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kalpha (unknown origin) using L-alpha-phosphatidylinositol as substrate incubated for 30 to 60 mins in presence of ATP by Kinase Glo...


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 alpha isoform


(Homo sapiens (Human))
BDBM50574847
PNG
(CHEMBL4855904)
Show SMILES Cc1ncc(s1)-c1nc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCCCO
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TBA

Assay Description
Inhibition of PI3Kalpha (unknown origin) using L-alpha-phosphatidylinositol as substrate incubated for 30 to 60 mins in presence of ATP by Kinase Glo...


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))
BDBM50574853
PNG
(CHEMBL4878721)
Show SMILES Cc1ccn(n1)-c1nc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(C)(C)O
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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))
BDBM50574852
PNG
(CHEMBL4868011)
Show SMILES Cc1ccc(cc1-c1cnc(N)c(n1)-n1cncn1)S(=O)(=O)NCC(C)(C)O
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n/an/a 36n/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 alpha isoform


(Homo sapiens (Human))
BDBM50574846
PNG
(CHEMBL4867254)
Show SMILES Cc1ncc(s1)-c1nc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC1CCC(F)(F)CC1
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TBA

Assay Description
Inhibition of PI3Kalpha (unknown origin) using L-alpha-phosphatidylinositol as substrate incubated for 30 to 60 mins in presence of ATP by Kinase Glo...


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))
BDBM295050
PNG
(3-(6-Amino-5-(2-methyloxazol-5-yl)pyridin-3-yl)-N-...)
Show SMILES Cc1ncc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(C)(C)O
Show InChI InChI=1S/C20H24N4O4S/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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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))
BDBM295056
PNG
(3-(6-Amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridi...)
Show SMILES Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(C)(C)O
Show InChI InChI=1S/C19H23N5O4S/c1-11-5-6-14(29(26,27)22-10-19(3,4)25)8-15(11)13-7-16(17(20)21-9-13)18-23-12(2)24-28-18/h5-9,22,25H,10H2,1-4H3,(H2,20,21)
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n/an/a 40n/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))
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 55n/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 alpha 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 55n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kalpha (unknown origin) using L-alpha-phosphatidylinositol as substrate incubated for 30 to 60 mins in presence of ATP by Kinase Glo...


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))
BDBM50574855
PNG
(CHEMBL4878811)
Show SMILES Cc1nn(C)cc1-c1nc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(C)(C)O
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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 alpha isoform


(Homo sapiens (Human))
BDBM50574849
PNG
(CHEMBL4863328)
Show SMILES Cc1ncc(s1)-c1nc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCCO
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n/an/a 63n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kalpha (unknown origin) using L-alpha-phosphatidylinositol as substrate incubated for 30 to 60 mins in presence of ATP by Kinase Glo...


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))
BDBM50574846
PNG
(CHEMBL4867254)
Show SMILES Cc1ncc(s1)-c1nc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC1CCC(F)(F)CC1
PDB
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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))
BDBM50574859
PNG
(CHEMBL4873556)
Show SMILES Cc1nnc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(C)(C)O
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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 alpha 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 80n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human PI3Kalpha 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 gamma isoform


(Homo sapiens (Human))
BDBM50574858
PNG
(CHEMBL4854845)
Show SMILES Cc1ccc(cc1-c1cnc(N)c(c1)-c1cnn(C)c1)S(=O)(=O)NCC(C)(C)O
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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))
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 89n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant full-length human His-tagged PI3Kgamma expressed in baculovirus expression system 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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha 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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TBA

Assay Description
Inhibition of PI3Kalpha (unknown origin) using L-alpha-phosphatidylinositol as substrate incubated for 30 to 60 mins in presence of ATP by Kinase Glo...


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))
BDBM50574861
PNG
(CHEMBL4857001)
Show SMILES CNC(=O)c1nc(cnc1N)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1ccc(F)c(F)c1
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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 alpha isoform


(Homo sapiens (Human))
BDBM50574860
PNG
(CHEMBL4859017)
Show SMILES Cc1ccc(cc1-c1cnc(N)c(n1)C(=O)C1CC1)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:23.25,wD:26.29,(8.47,-3.48,;7.14,-4.25,;5.8,-3.49,;4.47,-4.26,;4.48,-5.79,;5.81,-6.57,;7.15,-5.79,;8.48,-6.56,;8.48,-8.1,;9.81,-8.87,;11.14,-8.09,;12.48,-8.86,;11.14,-6.54,;9.8,-5.78,;12.46,-5.77,;12.46,-4.23,;13.8,-6.53,;14.57,-7.86,;15.34,-6.52,;3.14,-6.56,;1.6,-6.56,;2.38,-5.23,;3.15,-8.11,;4.49,-8.87,;5.82,-8.1,;7.15,-8.87,;7.15,-10.41,;8.48,-11.19,;5.82,-11.18,;4.49,-10.41,)|
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TBA

Assay Description
Inhibition of PI3Kalpha (unknown origin) using L-alpha-phosphatidylinositol as substrate incubated for 30 to 60 mins in presence of ATP by Kinase Glo...


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))
BDBM295051
PNG
(3-(6-Amino-5-(3-methylisoxazol-5-yl)pyridin-3-yl)-...)
Show SMILES Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(C)(C)O
Show InChI InChI=1S/C20H24N4O4S/c1-12-5-6-15(29(26,27)23-11-20(3,4)25)9-16(12)14-8-17(19(21)22-10-14)18-7-13(2)24-28-18/h5-10,23,25H,11H2,1-4H3,(H2,21,22)
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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))
BDBM295050
PNG
(3-(6-Amino-5-(2-methyloxazol-5-yl)pyridin-3-yl)-N-...)
Show SMILES Cc1ncc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(C)(C)O
Show InChI InChI=1S/C20H24N4O4S/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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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 delta isoform


(Homo sapiens (Human))
BDBM50574860
PNG
(CHEMBL4859017)
Show SMILES Cc1ccc(cc1-c1cnc(N)c(n1)C(=O)C1CC1)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:23.25,wD:26.29,(8.47,-3.48,;7.14,-4.25,;5.8,-3.49,;4.47,-4.26,;4.48,-5.79,;5.81,-6.57,;7.15,-5.79,;8.48,-6.56,;8.48,-8.1,;9.81,-8.87,;11.14,-8.09,;12.48,-8.86,;11.14,-6.54,;9.8,-5.78,;12.46,-5.77,;12.46,-4.23,;13.8,-6.53,;14.57,-7.86,;15.34,-6.52,;3.14,-6.56,;1.6,-6.56,;2.38,-5.23,;3.15,-8.11,;4.49,-8.87,;5.82,-8.1,;7.15,-8.87,;7.15,-10.41,;8.48,-11.19,;5.82,-11.18,;4.49,-10.41,)|
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n/an/a 120n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kdelta (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))
BDBM50574851
PNG
(CHEMBL4848126)
Show SMILES Cc1ccc(cc1-c1cnc(N)c(n1)-c1cnn(C)n1)S(=O)(=O)NCC(C)(C)O
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n/an/a 140n/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))
BDBM50574854
PNG
(CHEMBL4849042)
Show SMILES Cc1cc(on1)-c1nc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(C)(C)O
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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))
BDBM295036
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)NCC(C)(C)O
Show InChI InChI=1S/C19H24N6O3S/c1-12-5-6-14(29(27,28)23-11-19(2,3)26)8-15(12)13-7-16(18(20)21-9-13)17-10-22-25(4)24-17/h5-10,23,26H,11H2,1-4H3,(H2,20,21)
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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 alpha 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 169n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kalpha (unknown origin) using L-alpha-phosphatidylinositol as substrate incubated for 30 to 60 mins in presence of ATP by Kinase Glo...


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))
BDBM295036
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)NCC(C)(C)O
Show InChI InChI=1S/C19H24N6O3S/c1-12-5-6-14(29(27,28)23-11-19(2,3)26)8-15(12)13-7-16(18(20)21-9-13)17-10-22-25(4)24-17/h5-10,23,26H,11H2,1-4H3,(H2,20,21)
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n/an/a 170n/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))
BDBM50390411
PNG
(CHEMBL2071342)
Show SMILES CCn1nnc(CCNC(=O)Nc2nc(C)c(s2)-c2ccc(c(F)c2)S(C)(=O)=O)n1
Show InChI InChI=1S/C17H20FN7O3S2/c1-4-25-23-14(22-24-25)7-8-19-16(26)21-17-20-10(2)15(29-17)11-5-6-13(12(18)9-11)30(3,27)28/h5-6,9H,4,7-8H2,1-3H3,(H2,19,20,21,26)
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n/an/a 170n/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 alpha isoform


(Homo sapiens (Human))
BDBM50574855
PNG
(CHEMBL4878811)
Show SMILES Cc1nn(C)cc1-c1nc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(C)(C)O
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n/an/a 200n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kalpha (unknown origin) using L-alpha-phosphatidylinositol as substrate incubated for 30 to 60 mins in presence of ATP by Kinase Glo...


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))
BDBM295056
PNG
(3-(6-Amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridi...)
Show SMILES Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(C)(C)O
Show InChI InChI=1S/C19H23N5O4S/c1-11-5-6-14(29(26,27)22-10-19(3,4)25)8-15(11)13-7-16(17(20)21-9-13)18-23-12(2)24-28-18/h5-9,22,25H,10H2,1-4H3,(H2,20,21)
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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
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