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Compile Data Set for Download or QSAR

Found 80 hits Enz. Inhib. hit(s) with Target = 'PI4KA/PI4KAP2'   
Target
(Institution)
LigandTarget
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
PI4KA/PI4KAP2


(Homo sapiens)
BDBM50448085
PNG
(CHEMBL3121323)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1cccnc1)-c1ccc2nc(N)n(-c3ccccc3)c(=O)c2c1
Show InChI InChI=1S/C25H20N6O4S/c1-35-23-22(30-36(33,34)19-8-5-11-27-15-19)13-17(14-28-23)16-9-10-21-20(12-16)24(32)31(25(26)29-21)18-6-3-2-4-7-18/h2-15,30H,1H3,(H2,26,29)
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n/an/a 0.316n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged PI4K-alpha (1 to 2044) (unknown origin) using D-myo-phosphatidylinositol as substrate preincubated for 30 mins followed by s...


J Med Chem 57: 2091-106 (2014)

More data for this
Ligand-Target Pair
PI4KA/PI4KAP2


(Homo sapiens)
BDBM50448094
PNG
(CHEMBL3121314)
Show SMILES Nc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nc(N)n(-c3ccccc3)c(=O)c2c1
Show InChI InChI=1S/C25H18F2N6O3S/c26-16-7-9-22(19(27)12-16)37(35,36)32-21-11-15(13-30-23(21)28)14-6-8-20-18(10-14)24(34)33(25(29)31-20)17-4-2-1-3-5-17/h1-13,32H,(H2,28,30)(H2,29,31)
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n/an/a 0.794n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged PI4K-alpha (1 to 2044) (unknown origin) using D-myo-phosphatidylinositol as substrate preincubated for 30 mins followed by s...


J Med Chem 57: 2091-106 (2014)

More data for this
Ligand-Target Pair
PI4KA/PI4KAP2


(Homo sapiens)
BDBM50107257
PNG
(CHEMBL3600785)
Show SMILES OC(=O)[C@H]1CC[C@H](CNc2nc3ccc(cc3s2)-c2ccn(CC3CC3)c(=O)c2)CC1
Show InChI InChI=1/C24H27N3O3S/c28-22-12-19(9-10-27(22)14-16-1-2-16)18-7-8-20-21(11-18)31-24(26-20)25-13-15-3-5-17(6-4-15)23(29)30/h7-12,15-17H,1-6,13-14H2,(H,25,26)(H,29,30)/t15-,17-
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged human full length recombinant PI4K3alpha using D-myo-phosphatidylinositol substrate and ATP incubated for 45 min...


Bioorg Med Chem Lett 25: 3189-93 (2015)

More data for this
Ligand-Target Pair
PI4KA/PI4KAP2


(Homo sapiens)
BDBM50448089
PNG
(CHEMBL3121319)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccccc1C)-c1ccc2nc(N)n(-c3ccccc3)c(=O)c2c1
Show InChI InChI=1S/C27H23N5O4S/c1-17-8-6-7-11-24(17)37(34,35)31-23-15-19(16-29-25(23)36-2)18-12-13-22-21(14-18)26(33)32(27(28)30-22)20-9-4-3-5-10-20/h3-16,31H,1-2H3,(H2,28,30)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged PI4K-alpha (1 to 2044) (unknown origin) using D-myo-phosphatidylinositol as substrate preincubated for 30 mins followed by s...


J Med Chem 57: 2091-106 (2014)

More data for this
Ligand-Target Pair
PI4KA/PI4KAP2


(Homo sapiens)
BDBM50448086
PNG
(CHEMBL3121322)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(cc1)C#N)-c1ccc2nc(N)n(-c3ccccc3)c(=O)c2c1
Show InChI InChI=1S/C27H20N6O4S/c1-37-25-24(32-38(35,36)21-10-7-17(15-28)8-11-21)14-19(16-30-25)18-9-12-23-22(13-18)26(34)33(27(29)31-23)20-5-3-2-4-6-20/h2-14,16,32H,1H3,(H2,29,31)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged PI4K-alpha (1 to 2044) (unknown origin) using D-myo-phosphatidylinositol as substrate preincubated for 30 mins followed by s...


J Med Chem 57: 2091-106 (2014)

More data for this
Ligand-Target Pair
PI4KA/PI4KAP2


(Homo sapiens)
BDBM50448103
PNG
(CHEMBL3121327)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncnc(N3CCOCC3)c2c1
Show InChI InChI=1S/C24H21F2N5O4S/c1-34-24-21(30-36(32,33)22-5-3-17(25)12-19(22)26)11-16(13-27-24)15-2-4-20-18(10-15)23(29-14-28-20)31-6-8-35-9-7-31/h2-5,10-14,30H,6-9H2,1H3
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n/an/a 1.60n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged PI4K-alpha (1 to 2044) (unknown origin) using D-myo-phosphatidylinositol as substrate preincubated for 30 mins followed by s...


J Med Chem 57: 2091-106 (2014)

More data for this
Ligand-Target Pair
PI4KA/PI4KAP2


(Homo sapiens)
BDBM50448096
PNG
(CHEMBL3121334)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nc(N)n(-c3ccccc3)c(=O)c2c1
Show InChI InChI=1S/C26H19F2N5O4S/c1-37-24-22(32-38(35,36)23-10-8-17(27)13-20(23)28)12-16(14-30-24)15-7-9-21-19(11-15)25(34)33(26(29)31-21)18-5-3-2-4-6-18/h2-14,32H,1H3,(H2,29,31)
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n/an/a 1.60n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged PI4K-alpha (1 to 2044) (unknown origin) using D-myo-phosphatidylinositol as substrate preincubated for 30 mins followed by s...


J Med Chem 57: 2091-106 (2014)

More data for this
Ligand-Target Pair
PI4KA/PI4KAP2


(Homo sapiens)
BDBM50107256
PNG
(CHEMBL3600784)
Show SMILES O=c1cc(ccn1CC1CC1)-c1ccc2nc(NCC3CCS(=O)(=O)CC3)sc2c1
Show InChI InChI=1S/C22H25N3O3S2/c26-21-12-18(5-8-25(21)14-16-1-2-16)17-3-4-19-20(11-17)29-22(24-19)23-13-15-6-9-30(27,28)10-7-15/h3-5,8,11-12,15-16H,1-2,6-7,9-10,13-14H2,(H,23,24)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged human full length recombinant PI4K3alpha using D-myo-phosphatidylinositol substrate and ATP incubated for 45 min...


Bioorg Med Chem Lett 25: 3189-93 (2015)

More data for this
Ligand-Target Pair
PI4KA/PI4KAP2


(Homo sapiens)
BDBM50448090
PNG
(CHEMBL3121318)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1ccc2nc(N)n(-c3ccccc3)c(=O)c2c1
Show InChI InChI=1S/C26H21N5O4S/c1-35-24-23(30-36(33,34)20-10-6-3-7-11-20)15-18(16-28-24)17-12-13-22-21(14-17)25(32)31(26(27)29-22)19-8-4-2-5-9-19/h2-16,30H,1H3,(H2,27,29)
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n/an/a 2.5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged PI4K-alpha (1 to 2044) (unknown origin) using D-myo-phosphatidylinositol as substrate preincubated for 30 mins followed by s...


J Med Chem 57: 2091-106 (2014)

More data for this
Ligand-Target Pair
PI4KA/PI4KAP2


(Homo sapiens)
BDBM50448088
PNG
(CHEMBL3121320)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1cccc(C)c1)-c1ccc2nc(N)n(-c3ccccc3)c(=O)c2c1
Show InChI InChI=1S/C27H23N5O4S/c1-17-7-6-10-21(13-17)37(34,35)31-24-15-19(16-29-25(24)36-2)18-11-12-23-22(14-18)26(33)32(27(28)30-23)20-8-4-3-5-9-20/h3-16,31H,1-2H3,(H2,28,30)
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n/an/a 4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged PI4K-alpha (1 to 2044) (unknown origin) using D-myo-phosphatidylinositol as substrate preincubated for 30 mins followed by s...


J Med Chem 57: 2091-106 (2014)

More data for this
Ligand-Target Pair
PI4KA/PI4KAP2


(Homo sapiens)
BDBM50107248
PNG
(CHEMBL3600781)
Show SMILES O=c1cc(ccn1CC1CC1)-c1ccc2nc(NCC3CCOCC3)sc2c1
Show InChI InChI=1S/C22H25N3O2S/c26-21-12-18(5-8-25(21)14-16-1-2-16)17-3-4-19-20(11-17)28-22(24-19)23-13-15-6-9-27-10-7-15/h3-5,8,11-12,15-16H,1-2,6-7,9-10,13-14H2,(H,23,24)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged human full length recombinant PI4K3alpha using D-myo-phosphatidylinositol substrate and ATP incubated for 45 min...


Bioorg Med Chem Lett 25: 3189-93 (2015)

More data for this
Ligand-Target Pair
PI4KA/PI4KAP2


(Homo sapiens)
BDBM50448097
PNG
(CHEMBL3121333)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nc(N)c(nc2c1)-c1ccccc1
Show InChI InChI=1S/C26H19F2N5O3S/c1-36-26-22(33-37(34,35)23-10-8-18(27)13-19(23)28)12-17(14-30-26)16-7-9-20-21(11-16)31-24(25(29)32-20)15-5-3-2-4-6-15/h2-14,33H,1H3,(H2,29,32)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged PI4K-alpha (1 to 2044) (unknown origin) using D-myo-phosphatidylinositol as substrate preincubated for 30 mins followed by s...


J Med Chem 57: 2091-106 (2014)

More data for this
Ligand-Target Pair
PI4KA/PI4KAP2


(Homo sapiens)
BDBM50448077
PNG
(CHEMBL3121308)
Show SMILES COc1ncc(cc1S(=O)(=O)Nc1ccc(F)cc1F)-c1ccc2nc(N)n(-c3ccccc3C(F)(F)F)c(=O)c2c1
Show InChI InChI=1S/C27H18F5N5O4S/c1-41-24-23(42(39,40)36-21-9-7-16(28)12-19(21)29)11-15(13-34-24)14-6-8-20-17(10-14)25(38)37(26(33)35-20)22-5-3-2-4-18(22)27(30,31)32/h2-13,36H,1H3,(H2,33,35)
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n/an/a 5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged PI4K-alpha (1 to 2044) (unknown origin) using D-myo-phosphatidylinositol as substrate preincubated for 30 mins followed by s...


J Med Chem 57: 2091-106 (2014)

More data for this
Ligand-Target Pair
PI4KA/PI4KAP2


(Homo sapiens)
BDBM50107243
PNG
(CHEMBL3600779)
Show SMILES Nc1nc2ccc(cc2s1)-c1ccn(CC2CC2)c(=O)c1
Show InChI InChI=1S/C16H15N3OS/c17-16-18-13-4-3-11(7-14(13)21-16)12-5-6-19(15(20)8-12)9-10-1-2-10/h3-8,10H,1-2,9H2,(H2,17,18)
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n/an/a 6.30n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged human full length recombinant PI4K3alpha using D-myo-phosphatidylinositol substrate and ATP incubated for 45 min...


Bioorg Med Chem Lett 25: 3189-93 (2015)

More data for this
Ligand-Target Pair
PI4KA/PI4KAP2


(Homo sapiens)
BDBM50448084
PNG
(CHEMBL3121324)
Show SMILES COc1ncc(cc1S(=O)(=O)Nc1ccc(F)cc1F)-c1ccc2nc(N)n(-c3ccccc3)c(=O)c2c1
Show InChI InChI=1S/C26H19F2N5O4S/c1-37-24-23(38(35,36)32-22-10-8-17(27)13-20(22)28)12-16(14-30-24)15-7-9-21-19(11-15)25(34)33(26(29)31-21)18-5-3-2-4-6-18/h2-14,32H,1H3,(H2,29,31)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged PI4K-alpha (1 to 2044) (unknown origin) using D-myo-phosphatidylinositol as substrate preincubated for 30 mins followed by s...


J Med Chem 57: 2091-106 (2014)

More data for this
Ligand-Target Pair
PI4KA/PI4KAP2


(Homo sapiens)
BDBM50107254
PNG
(CHEMBL3600782)
Show SMILES C[C@@H](Nc1nc2ccc(cc2s1)-c1ccn(CC2CC2)c(=O)c1)C1CCOCC1
Show InChI InChI=1/C23H27N3O2S/c1-15(17-7-10-28-11-8-17)24-23-25-20-5-4-18(12-21(20)29-23)19-6-9-26(22(27)13-19)14-16-2-3-16/h4-6,9,12-13,15-17H,2-3,7-8,10-11,14H2,1H3,(H,24,25)/t15-/s2
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n/an/a 7.90n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged human full length recombinant PI4K3alpha using D-myo-phosphatidylinositol substrate and ATP incubated for 45 min...


Bioorg Med Chem Lett 25: 3189-93 (2015)

More data for this
Ligand-Target Pair
PI4KA/PI4KAP2


(Homo sapiens)
BDBM50448082
PNG
(CHEMBL3121326)
Show SMILES COc1ncc(cc1S(=O)(=O)Nc1ccc(F)cc1F)-c1ccc2nc(N)n(C3CCOCC3)c(=O)c2c1
Show InChI InChI=1S/C25H23F2N5O5S/c1-36-23-22(38(34,35)31-21-5-3-16(26)12-19(21)27)11-15(13-29-23)14-2-4-20-18(10-14)24(33)32(25(28)30-20)17-6-8-37-9-7-17/h2-5,10-13,17,31H,6-9H2,1H3,(H2,28,30)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged PI4K-alpha (1 to 2044) (unknown origin) using D-myo-phosphatidylinositol as substrate preincubated for 30 mins followed by s...


J Med Chem 57: 2091-106 (2014)

More data for this
Ligand-Target Pair
PI4KA/PI4KAP2


(Homo sapiens)
BDBM50448079
PNG
(CHEMBL3121311)
Show SMILES COc1ncc(cc1S(=O)(=O)Nc1ccc(F)cc1F)-c1ccc2nc(N)n(-c3ccccc3C)c(=O)c2c1
Show InChI InChI=1S/C27H21F2N5O4S/c1-15-5-3-4-6-23(15)34-26(35)19-11-16(7-9-21(19)32-27(34)30)17-12-24(25(38-2)31-14-17)39(36,37)33-22-10-8-18(28)13-20(22)29/h3-14,33H,1-2H3,(H2,30,32)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged PI4K-alpha (1 to 2044) (unknown origin) using D-myo-phosphatidylinositol as substrate preincubated for 30 mins followed by s...


J Med Chem 57: 2091-106 (2014)

More data for this
Ligand-Target Pair
PI4KA/PI4KAP2


(Homo sapiens)
BDBM50448077
PNG
(CHEMBL3121308)
Show SMILES COc1ncc(cc1S(=O)(=O)Nc1ccc(F)cc1F)-c1ccc2nc(N)n(-c3ccccc3C(F)(F)F)c(=O)c2c1
Show InChI InChI=1S/C27H18F5N5O4S/c1-41-24-23(42(39,40)36-21-9-7-16(28)12-19(21)29)11-15(13-34-24)14-6-8-20-17(10-14)25(38)37(26(33)35-20)22-5-3-2-4-18(22)27(30,31)32/h2-13,36H,1H3,(H2,33,35)
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n/an/a 16n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged PI4K-alpha (1 to 2044) (unknown origin) using D-myo-phosphatidylinositol as substrate preincubated for 30 mins followed by s...


J Med Chem 57: 2091-106 (2014)

More data for this
Ligand-Target Pair
PI4KA/PI4KAP2


(Homo sapiens)
BDBM50448087
PNG
(CHEMBL3121321)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(C)cc1)-c1ccc2nc(N)n(-c3ccccc3)c(=O)c2c1
Show InChI InChI=1S/C27H23N5O4S/c1-17-8-11-21(12-9-17)37(34,35)31-24-15-19(16-29-25(24)36-2)18-10-13-23-22(14-18)26(33)32(27(28)30-23)20-6-4-3-5-7-20/h3-16,31H,1-2H3,(H2,28,30)
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n/an/a 16n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged PI4K-alpha (1 to 2044) (unknown origin) using D-myo-phosphatidylinositol as substrate preincubated for 30 mins followed by s...


J Med Chem 57: 2091-106 (2014)

More data for this
Ligand-Target Pair
PI4KA/PI4KAP2


(Homo sapiens)
BDBM50448092
PNG
(CHEMBL3121316)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1ccc2nc(N)n(-c3ccccc3)c(=O)c2c1
Show InChI InChI=1S/C21H19N5O4S/c1-30-19-18(25-31(2,28)29)11-14(12-23-19)13-8-9-17-16(10-13)20(27)26(21(22)24-17)15-6-4-3-5-7-15/h3-12,25H,1-2H3,(H2,22,24)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged PI4K-alpha (1 to 2044) (unknown origin) using D-myo-phosphatidylinositol as substrate preincubated for 30 mins followed by s...


J Med Chem 57: 2091-106 (2014)

More data for this
Ligand-Target Pair
PI4KA/PI4KAP2


(Homo sapiens)
BDBM50448078
PNG
(CHEMBL3121312)
Show SMILES COc1ncc(cc1S(=O)(=O)Nc1ccc(F)cc1F)-c1ccc2nc(N)n(-c3ccccc3C(C)C)c(=O)c2c1
Show InChI InChI=1S/C29H25F2N5O4S/c1-16(2)20-6-4-5-7-25(20)36-28(37)21-12-17(8-10-23(21)34-29(36)32)18-13-26(27(40-3)33-15-18)41(38,39)35-24-11-9-19(30)14-22(24)31/h4-16,35H,1-3H3,(H2,32,34)
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n/an/a 32n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged PI4K-alpha (1 to 2044) (unknown origin) using D-myo-phosphatidylinositol as substrate preincubated for 30 mins followed by s...


J Med Chem 57: 2091-106 (2014)

More data for this
Ligand-Target Pair
PI4KA/PI4KAP2


(Homo sapiens)
BDBM50448083
PNG
(CHEMBL3121325)
Show SMILES CCn1c(N)nc2ccc(cc2c1=O)-c1cnc(OC)c(c1)S(=O)(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C22H19F2N5O4S/c1-3-29-21(30)15-8-12(4-6-17(15)27-22(29)25)13-9-19(20(33-2)26-11-13)34(31,32)28-18-7-5-14(23)10-16(18)24/h4-11,28H,3H2,1-2H3,(H2,25,27)
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n/an/a 40n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged PI4K-alpha (1 to 2044) (unknown origin) using D-myo-phosphatidylinositol as substrate preincubated for 30 mins followed by s...


J Med Chem 57: 2091-106 (2014)

More data for this
Ligand-Target Pair
PI4KA/PI4KAP2


(Homo sapiens)
BDBM50107255
PNG
(CHEMBL3600783)
Show SMILES C[C@H](Nc1nc2ccc(cc2s1)-c1ccn(CC2CC2)c(=O)c1)C1CCOCC1
Show InChI InChI=1/C23H27N3O2S/c1-15(17-7-10-28-11-8-17)24-23-25-20-5-4-18(12-21(20)29-23)19-6-9-26(22(27)13-19)14-16-2-3-16/h4-6,9,12-13,15-17H,2-3,7-8,10-11,14H2,1H3,(H,24,25)/t15-/s2
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged human full length recombinant PI4K3alpha using D-myo-phosphatidylinositol substrate and ATP incubated for 45 min...


Bioorg Med Chem Lett 25: 3189-93 (2015)

More data for this
Ligand-Target Pair
PI4KA/PI4KAP2


(Homo sapiens)
BDBM50448102
PNG
(CHEMBL3121328)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nc(N)c(cc2c1)-c1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C31H27F2N5O4S/c1-41-31-28(37-43(39,40)29-9-5-23(32)17-26(29)33)16-22(18-35-31)20-4-8-27-21(14-20)15-25(30(34)36-27)19-2-6-24(7-3-19)38-10-12-42-13-11-38/h2-9,14-18,37H,10-13H2,1H3,(H2,34,36)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged PI4K-alpha (1 to 2044) (unknown origin) using D-myo-phosphatidylinositol as substrate preincubated for 30 mins followed by s...


J Med Chem 57: 2091-106 (2014)

More data for this
Ligand-Target Pair
PI4KA/PI4KAP2


(Homo sapiens)
BDBM50448080
PNG
(CHEMBL3121310)
Show SMILES COc1ncc(cc1S(=O)(=O)Nc1ccc(F)cc1F)-c1ccc2nc(N)n(-c3ccc(cc3)C(F)(F)F)c(=O)c2c1
Show InChI InChI=1S/C27H18F5N5O4S/c1-41-24-23(42(39,40)36-22-9-5-17(28)12-20(22)29)11-15(13-34-24)14-2-8-21-19(10-14)25(38)37(26(33)35-21)18-6-3-16(4-7-18)27(30,31)32/h2-13,36H,1H3,(H2,33,35)
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n/an/a 50n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged PI4K-alpha (1 to 2044) (unknown origin) using D-myo-phosphatidylinositol as substrate preincubated for 30 mins followed by s...


J Med Chem 57: 2091-106 (2014)

More data for this
Ligand-Target Pair
PI4KA/PI4KAP2


(Homo sapiens)
BDBM50448081
PNG
(CHEMBL3121309)
Show SMILES COc1ncc(cc1S(=O)(=O)Nc1ccc(F)cc1F)-c1ccc2nc(N)n(-c3cccc(c3)C(F)(F)F)c(=O)c2c1
Show InChI InChI=1S/C27H18F5N5O4S/c1-41-24-23(42(39,40)36-22-8-6-17(28)12-20(22)29)10-15(13-34-24)14-5-7-21-19(9-14)25(38)37(26(33)35-21)18-4-2-3-16(11-18)27(30,31)32/h2-13,36H,1H3,(H2,33,35)
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n/an/a 50n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged PI4K-alpha (1 to 2044) (unknown origin) using D-myo-phosphatidylinositol as substrate preincubated for 30 mins followed by s...


J Med Chem 57: 2091-106 (2014)

More data for this
Ligand-Target Pair
PI4KA/PI4KAP2


(Homo sapiens)
BDBM50107263
PNG
(CHEMBL3600687)
Show SMILES CC(C)Oc1ccc(cn1)-c1ccc2nc(N)sc2c1
Show InChI InChI=1S/C15H15N3OS/c1-9(2)19-14-6-4-11(8-17-14)10-3-5-12-13(7-10)20-15(16)18-12/h3-9H,1-2H3,(H2,16,18)
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n/an/a 79n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged human full length recombinant PI4K3alpha using D-myo-phosphatidylinositol substrate and ATP incubated for 45 min...


Bioorg Med Chem Lett 25: 3189-93 (2015)

More data for this
Ligand-Target Pair
PI4KA/PI4KAP2


(Homo sapiens)
BDBM50448101
PNG
(CHEMBL3121329)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nc(N)c(cc2c1)-c1ccccc1
Show InChI InChI=1S/C27H20F2N4O3S/c1-36-27-24(33-37(34,35)25-10-8-20(28)14-22(25)29)13-19(15-31-27)17-7-9-23-18(11-17)12-21(26(30)32-23)16-5-3-2-4-6-16/h2-15,33H,1H3,(H2,30,32)
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n/an/a 100n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged PI4K-alpha (1 to 2044) (unknown origin) using D-myo-phosphatidylinositol as substrate preincubated for 30 mins followed by s...


J Med Chem 57: 2091-106 (2014)

More data for this
Ligand-Target Pair
PI4KA/PI4KAP2


(Homo sapiens)
BDBM50107260
PNG
(CHEMBL3600684)
Show SMILES CCSc1ccc(cn1)-c1ccc2nc(N)sc2c1
Show InChI InChI=1S/C14H13N3S2/c1-2-18-13-6-4-10(8-16-13)9-3-5-11-12(7-9)19-14(15)17-11/h3-8H,2H2,1H3,(H2,15,17)
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n/an/a 100n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged human full length recombinant PI4K3alpha using D-myo-phosphatidylinositol substrate and ATP incubated for 45 min...


Bioorg Med Chem Lett 25: 3189-93 (2015)

More data for this
Ligand-Target Pair
PI4KA/PI4KAP2


(Homo sapiens)
BDBM50448091
PNG
(CHEMBL3121317)
Show SMILES COc1ncc(cc1NS(=O)(=O)C(C)C)-c1ccc2nc(N)n(-c3ccccc3)c(=O)c2c1
Show InChI InChI=1S/C23H23N5O4S/c1-14(2)33(30,31)27-20-12-16(13-25-21(20)32-3)15-9-10-19-18(11-15)22(29)28(23(24)26-19)17-7-5-4-6-8-17/h4-14,27H,1-3H3,(H2,24,26)
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n/an/a 126n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged PI4K-alpha (1 to 2044) (unknown origin) using D-myo-phosphatidylinositol as substrate preincubated for 30 mins followed by s...


J Med Chem 57: 2091-106 (2014)

More data for this
Ligand-Target Pair
PI4KA/PI4KAP2


(Homo sapiens)
BDBM50448077
PNG
(CHEMBL3121308)
Show SMILES COc1ncc(cc1S(=O)(=O)Nc1ccc(F)cc1F)-c1ccc2nc(N)n(-c3ccccc3C(F)(F)F)c(=O)c2c1
Show InChI InChI=1S/C27H18F5N5O4S/c1-41-24-23(42(39,40)36-21-9-7-16(28)12-19(21)29)11-15(13-34-24)14-6-8-20-17(10-14)25(38)37(26(33)35-20)22-5-3-2-4-18(22)27(30,31)32/h2-13,36H,1H3,(H2,33,35)
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n/an/a 126n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged PI4K-alpha (1 to 2044) (unknown origin) using D-myo-phosphatidylinositol as substrate preincubated for 30 mins followed by s...


J Med Chem 57: 2091-106 (2014)

More data for this
Ligand-Target Pair
PI4KA/PI4KAP2


(Homo sapiens)
BDBM50107258
PNG
(CHEMBL3600683)
Show SMILES CCOc1ccc(cn1)-c1ccc2nc(N)sc2c1
Show InChI InChI=1S/C14H13N3OS/c1-2-18-13-6-4-10(8-16-13)9-3-5-11-12(7-9)19-14(15)17-11/h3-8H,2H2,1H3,(H2,15,17)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged human full length recombinant PI4K3alpha using D-myo-phosphatidylinositol substrate and ATP incubated for 45 min...


Bioorg Med Chem Lett 25: 3189-93 (2015)

More data for this
Ligand-Target Pair
PI4KA/PI4KAP2


(Homo sapiens)
BDBM50107238
PNG
(CHEMBL3600776)
Show SMILES Nc1nc2ccc(cc2s1)-c1cnn(Cc2ccccc2)c1
Show InChI InChI=1S/C17H14N4S/c18-17-20-15-7-6-13(8-16(15)22-17)14-9-19-21(11-14)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H2,18,20)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged human full length recombinant PI4K3alpha using D-myo-phosphatidylinositol substrate and ATP incubated for 45 min...


Bioorg Med Chem Lett 25: 3189-93 (2015)

More data for this
Ligand-Target Pair
PI4KA/PI4KAP2


(Homo sapiens)
BDBM50448099
PNG
(CHEMBL3121331)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc2cc(c(N)nc2cn1)-c1ccccc1
Show InChI InChI=1S/C26H19F2N5O3S/c1-36-26-22(33-37(34,35)24-8-7-18(27)12-20(24)28)11-17(13-31-26)21-10-16-9-19(15-5-3-2-4-6-15)25(29)32-23(16)14-30-21/h2-14,33H,1H3,(H2,29,32)
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n/an/a 200n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged PI4K-alpha (1 to 2044) (unknown origin) using D-myo-phosphatidylinositol as substrate preincubated for 30 mins followed by s...


J Med Chem 57: 2091-106 (2014)

More data for this
Ligand-Target Pair
PI4KA/PI4KAP2


(Homo sapiens)
BDBM50106970
PNG
(CHEMBL3600767)
Show SMILES Nc1nc2ccc(cc2s1)-c1cc[nH]c(=O)c1
Show InChI InChI=1S/C12H9N3OS/c13-12-15-9-2-1-7(5-10(9)17-12)8-3-4-14-11(16)6-8/h1-6H,(H2,13,15)(H,14,16)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged human full length recombinant PI4K3alpha using D-myo-phosphatidylinositol substrate and ATP incubated for 45 min...


Bioorg Med Chem Lett 25: 3189-93 (2015)

More data for this
Ligand-Target Pair
PI4KA/PI4KAP2


(Homo sapiens)
BDBM50107242
PNG
(CHEMBL3600778)
Show SMILES CCn1ccc(cc1=O)-c1ccc2nc(N)sc2c1
Show InChI InChI=1S/C14H13N3OS/c1-2-17-6-5-10(8-13(17)18)9-3-4-11-12(7-9)19-14(15)16-11/h3-8H,2H2,1H3,(H2,15,16)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged human full length recombinant PI4K3alpha using D-myo-phosphatidylinositol substrate and ATP incubated for 45 min...


Bioorg Med Chem Lett 25: 3189-93 (2015)

More data for this
Ligand-Target Pair
PI4KA/PI4KAP2


(Homo sapiens)
BDBM50448095
PNG
(CHEMBL3121313)
Show SMILES COc1ccc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nc(N)n(-c3ccccc3)c(=O)c2c1
Show InChI InChI=1S/C27H20F2N4O4S/c1-37-24-11-8-17(14-23(24)32-38(35,36)25-12-9-18(28)15-21(25)29)16-7-10-22-20(13-16)26(34)33(27(30)31-22)19-5-3-2-4-6-19/h2-15,32H,1H3,(H2,30,31)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged PI4K-alpha (1 to 2044) (unknown origin) using D-myo-phosphatidylinositol as substrate preincubated for 30 mins followed by s...


J Med Chem 57: 2091-106 (2014)

More data for this
Ligand-Target Pair
PI4KA/PI4KAP2


(Homo sapiens)
BDBM50107270
PNG
(CHEMBL3600695)
Show SMILES COCCOc1ccc(cn1)-c1ccc2nc(N)sc2c1
Show InChI InChI=1S/C15H15N3O2S/c1-19-6-7-20-14-5-3-11(9-17-14)10-2-4-12-13(8-10)21-15(16)18-12/h2-5,8-9H,6-7H2,1H3,(H2,16,18)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged human full length recombinant PI4K3alpha using D-myo-phosphatidylinositol substrate and ATP incubated for 45 min...


Bioorg Med Chem Lett 25: 3189-93 (2015)

More data for this
Ligand-Target Pair
PI4KA/PI4KAP2


(Homo sapiens)
BDBM50107269
PNG
(CHEMBL3600694)
Show SMILES Nc1nc2ccc(cc2s1)-c1ccc(OCCO)nc1
Show InChI InChI=1S/C14H13N3O2S/c15-14-17-11-3-1-9(7-12(11)20-14)10-2-4-13(16-8-10)19-6-5-18/h1-4,7-8,18H,5-6H2,(H2,15,17)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged human full length recombinant PI4K3alpha using D-myo-phosphatidylinositol substrate and ATP incubated for 45 min...


Bioorg Med Chem Lett 25: 3189-93 (2015)

More data for this
Ligand-Target Pair
PI4KA/PI4KAP2


(Homo sapiens)
BDBM50107273
PNG
(CHEMBL3600699)
Show SMILES CS(=O)(=O)c1cncc(c1)-c1ccc2nc(N)sc2c1
Show InChI InChI=1S/C13H11N3O2S2/c1-20(17,18)10-4-9(6-15-7-10)8-2-3-11-12(5-8)19-13(14)16-11/h2-7H,1H3,(H2,14,16)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged human full length recombinant PI4K3alpha using D-myo-phosphatidylinositol substrate and ATP incubated for 45 min...


Bioorg Med Chem Lett 25: 3189-93 (2015)

More data for this
Ligand-Target Pair
PI4KA/PI4KAP2


(Homo sapiens)
BDBM50107241
PNG
(CHEMBL3600777)
Show SMILES Cn1ccc(cc1=O)-c1ccc2nc(N)sc2c1
Show InChI InChI=1S/C13H11N3OS/c1-16-5-4-9(7-12(16)17)8-2-3-10-11(6-8)18-13(14)15-10/h2-7H,1H3,(H2,14,15)
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n/an/a 501n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged human full length recombinant PI4K3alpha using D-myo-phosphatidylinositol substrate and ATP incubated for 45 min...


Bioorg Med Chem Lett 25: 3189-93 (2015)

More data for this
Ligand-Target Pair
PI4KA/PI4KAP2


(Homo sapiens)
BDBM50107244
PNG
(CHEMBL3600780)
Show SMILES COCCOn1ccc(cc1=O)-c1ccc2nc(N)sc2c1
Show InChI InChI=1S/C15H15N3O3S/c1-20-6-7-21-18-5-4-11(9-14(18)19)10-2-3-12-13(8-10)22-15(16)17-12/h2-5,8-9H,6-7H2,1H3,(H2,16,17)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged human full length recombinant PI4K3alpha using D-myo-phosphatidylinositol substrate and ATP incubated for 45 min...


Bioorg Med Chem Lett 25: 3189-93 (2015)

More data for this
Ligand-Target Pair
PI4KA/PI4KAP2


(Homo sapiens)
BDBM50448100
PNG
(CHEMBL3121330)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cnc2nc(N)c(cc2c1)-c1ccccc1
Show InChI InChI=1S/C26H19F2N5O3S/c1-36-26-22(33-37(34,35)23-8-7-19(27)12-21(23)28)11-18(14-31-26)17-9-16-10-20(15-5-3-2-4-6-15)24(29)32-25(16)30-13-17/h2-14,33H,1H3,(H2,29,30,32)
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n/an/a 631n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged PI4K-alpha (1 to 2044) (unknown origin) using D-myo-phosphatidylinositol as substrate preincubated for 30 mins followed by s...


J Med Chem 57: 2091-106 (2014)

More data for this
Ligand-Target Pair
PI4KA/PI4KAP2


(Homo sapiens)
BDBM50107265
PNG
(CHEMBL3600689)
Show SMILES CCN(C)c1ccc(cn1)-c1ccc2nc(N)sc2c1
Show InChI InChI=1S/C15H16N4S/c1-3-19(2)14-7-5-11(9-17-14)10-4-6-12-13(8-10)20-15(16)18-12/h4-9H,3H2,1-2H3,(H2,16,18)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged human full length recombinant PI4K3alpha using D-myo-phosphatidylinositol substrate and ATP incubated for 45 min...


Bioorg Med Chem Lett 25: 3189-93 (2015)

More data for this
Ligand-Target Pair
PI4KA/PI4KAP2


(Homo sapiens)
BDBM50333219
PNG
(6-(6-methoxypyridin-3-yl)benzo[d]thiazol-2-amine |...)
Show SMILES COc1ccc(cn1)-c1ccc2nc(N)sc2c1
Show InChI InChI=1S/C13H11N3OS/c1-17-12-5-3-9(7-15-12)8-2-4-10-11(6-8)18-13(14)16-10/h2-7H,1H3,(H2,14,16)
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n/an/a 631n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged human full length recombinant PI4K3alpha using D-myo-phosphatidylinositol substrate and ATP incubated for 45 min...


Bioorg Med Chem Lett 25: 3189-93 (2015)

More data for this
Ligand-Target Pair
PI4KA/PI4KAP2


(Homo sapiens)
BDBM50107264
PNG
(CHEMBL3600688)
Show SMILES CCNc1ccc(cn1)-c1ccc2nc(N)sc2c1
Show InChI InChI=1S/C14H14N4S/c1-2-16-13-6-4-10(8-17-13)9-3-5-11-12(7-9)19-14(15)18-11/h3-8H,2H2,1H3,(H2,15,18)(H,16,17)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged human full length recombinant PI4K3alpha using D-myo-phosphatidylinositol substrate and ATP incubated for 45 min...


Bioorg Med Chem Lett 25: 3189-93 (2015)

More data for this
Ligand-Target Pair
PI4KA/PI4KAP2


(Homo sapiens)
BDBM50107236
PNG
(CHEMBL3600775)
Show SMILES Nc1nc2ccc(cc2s1)-c1cnn(CC2CC2)c1
Show InChI InChI=1S/C14H14N4S/c15-14-17-12-4-3-10(5-13(12)19-14)11-6-16-18(8-11)7-9-1-2-9/h3-6,8-9H,1-2,7H2,(H2,15,17)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged human full length recombinant PI4K3alpha using D-myo-phosphatidylinositol substrate and ATP incubated for 45 min...


Bioorg Med Chem Lett 25: 3189-93 (2015)

More data for this
Ligand-Target Pair
PI4KA/PI4KAP2


(Homo sapiens)
BDBM50107261
PNG
(CHEMBL3600685)
Show SMILES COCc1ccc(cn1)-c1ccc2nc(N)sc2c1
Show InChI InChI=1S/C14H13N3OS/c1-18-8-11-4-2-10(7-16-11)9-3-5-12-13(6-9)19-14(15)17-12/h2-7H,8H2,1H3,(H2,15,17)
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n/an/a 1.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged human full length recombinant PI4K3alpha using D-myo-phosphatidylinositol substrate and ATP incubated for 45 min...


Bioorg Med Chem Lett 25: 3189-93 (2015)

More data for this
Ligand-Target Pair
PI4KA/PI4KAP2


(Homo sapiens)
BDBM50426176
PNG
(CHEMBL2316958)
Show SMILES CC(C)=CC(=O)CCC(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
Show InChI InChI=1S/C30H35N7O3S/c1-20(2)16-21(38)6-7-27(39)36-10-8-35(9-11-36)19-22-17-26-28(41-22)30(37-12-14-40-15-13-37)33-29(32-26)23-4-3-5-25-24(23)18-31-34-25/h3-5,16-18H,6-15,19H2,1-2H3,(H,31,34)
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Celgene Avilomics Research

Curated by ChEMBL


Assay Description
Inhibition of PI4Kalpha (unknown origin) by ADP-GLO assay


J Med Chem 56: 712-21 (2013)

More data for this
Ligand-Target Pair
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