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Compile Data Set for Download or QSAR

Found 114 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 2728   
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))
BDBM377020
PNG
(US10259818, Example 2 | US9944646, Example 2)
Show SMILES CC(c1cc(Cl)c(C)c2CNCCOc12)n1nc(C)c2c(N)ncnc12
Show InChI InChI=1S/C18H21ClN6O/c1-9-13-7-21-4-5-26-16(13)12(6-14(9)19)11(3)25-18-15(10(2)24-25)17(20)22-8-23-18/h6,8,11,21H,4-5,7H2,1-3H3,(H2,20,22,23)
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Curacyte Chemistry GmbH



Assay Description
[γ-33P]ATP (10mCi/mL) was purchased from Perkin-Elmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (Ptd...


J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2Q242JB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM377021
PNG
(US10259818, Example 3)
Show SMILES CC(c1cc(Cl)c(C)c2CN(CCOc12)C1CC(C1)C(=O)OC(C)(C)C)n1nc(C)c2c(N)ncnc12 |(-1.48,-3.16,;-2.81,-2.39,;-2.81,-.85,;-4.15,-.08,;-4.15,1.46,;-5.48,2.23,;-2.81,2.23,;-2.81,3.77,;-1.48,1.46,;-.27,2.42,;1.23,2.08,;1.9,.69,;1.23,-.7,;-.27,-1.04,;-1.48,-.08,;2.19,3.28,;3.72,3.45,;3.55,4.98,;2.02,4.81,;4.51,6.19,;3.94,7.62,;6.03,5.96,;6.59,4.52,;5.63,3.32,;8.11,4.3,;7.55,5.73,;-4.15,-3.16,;-5.55,-2.53,;-6.58,-3.68,;-8.11,-3.52,;-5.81,-5.01,;-6.29,-6.48,;-7.79,-6.8,;-5.26,-7.62,;-3.75,-7.3,;-3.28,-5.84,;-4.31,-4.69,)|
Show InChI InChI=1S/C27H35ClN6O3/c1-14-20-12-33(18-9-17(10-18)26(35)37-27(4,5)6)7-8-36-23(20)19(11-21(14)28)16(3)34-25-22(15(2)32-34)24(29)30-13-31-25/h11,13,16-18H,7-10,12H2,1-6H3,(H2,29,30,31)
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Curacyte Chemistry GmbH



Assay Description
[γ-33P]ATP (10mCi/mL) was purchased from Perkin-Elmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (Ptd...


J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2Q242JB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM377022
PNG
(US10259818, Example 4 | US9944646, Example 4)
Show SMILES CC(c1cc(Cl)c(C)c2CN(CCOc12)C1CN(C1)C(C)=O)n1nc(C)c2c(N)ncnc12
Show InChI InChI=1S/C23H28ClN7O2/c1-12-18-10-29(16-8-30(9-16)15(4)32)5-6-33-21(18)17(7-19(12)24)14(3)31-23-20(13(2)28-31)22(25)26-11-27-23/h7,11,14,16H,5-6,8-10H2,1-4H3,(H2,25,26,27)
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Assay Description
[γ-33P]ATP (10mCi/mL) was purchased from Perkin-Elmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (Ptd...


J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2Q242JB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM377023
PNG
(US10259818, Example 5 | US9944646, Example 5)
Show SMILES CC(c1cc(Cl)c(C)c2CN(CCOc12)C1CCC1)n1nc(C)c2c(N)ncnc12
Show InChI InChI=1S/C22H27ClN6O/c1-12-17-10-28(15-5-4-6-15)7-8-30-20(17)16(9-18(12)23)14(3)29-22-19(13(2)27-29)21(24)25-11-26-22/h9,11,14-15H,4-8,10H2,1-3H3,(H2,24,25,26)
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Assay Description
[γ-33P]ATP (10mCi/mL) was purchased from Perkin-Elmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (Ptd...


J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2Q242JB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM377024
PNG
(US10259818, Example 6 | US9944646, Example 6)
Show SMILES CC(c1cc(Cl)c(C)c2CN(CCOc12)C1CCCC1)n1nc(C)c2c(N)ncnc12
Show InChI InChI=1S/C23H29ClN6O/c1-13-18-11-29(16-6-4-5-7-16)8-9-31-21(18)17(10-19(13)24)15(3)30-23-20(14(2)28-30)22(25)26-12-27-23/h10,12,15-16H,4-9,11H2,1-3H3,(H2,25,26,27)
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Curacyte Chemistry GmbH



Assay Description
[γ-33P]ATP (10mCi/mL) was purchased from Perkin-Elmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (Ptd...


J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2Q242JB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM377025
PNG
(US10259818, Example 7 | US9944646, Example 7)
Show SMILES CC(c1cc(Cl)c(C)c2CN(CCOc12)C1CCCCC1)n1nc(C)c2c(N)ncnc12
Show InChI InChI=1S/C24H31ClN6O/c1-14-19-12-30(17-7-5-4-6-8-17)9-10-32-22(19)18(11-20(14)25)16(3)31-24-21(15(2)29-31)23(26)27-13-28-24/h11,13,16-17H,4-10,12H2,1-3H3,(H2,26,27,28)
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Curacyte Chemistry GmbH



Assay Description
[γ-33P]ATP (10mCi/mL) was purchased from Perkin-Elmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (Ptd...


J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2Q242JB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM377026
PNG
(US10259818, Example 8 | US9944646, Example 8)
Show SMILES COC1CCC(CC1)N1CCOc2c(C1)c(C)c(Cl)cc2C(C)n1nc(C)c2c(N)ncnc12 |(7.35,7.03,;5.83,7.26,;4.87,6.05,;5.43,4.62,;4.47,3.42,;2.95,3.65,;2.39,5.08,;3.35,6.28,;1.99,2.44,;2.66,1.05,;1.99,-.33,;.49,-.68,;-.72,.28,;-.72,1.82,;.49,2.78,;-2.05,2.59,;-2.05,4.13,;-3.38,1.82,;-4.72,2.59,;-3.38,.28,;-2.05,-.49,;-2.05,-2.03,;-.72,-2.8,;-3.38,-2.8,;-4.79,-2.17,;-5.82,-3.31,;-7.35,-3.15,;-5.05,-4.65,;-5.53,-6.11,;-7.03,-6.43,;-4.5,-7.26,;-2.99,-6.94,;-2.51,-5.47,;-3.54,-4.33,)|
Show InChI InChI=1S/C25H33ClN6O2/c1-14-20-12-31(17-5-7-18(33-4)8-6-17)9-10-34-23(20)19(11-21(14)26)16(3)32-25-22(15(2)30-32)24(27)28-13-29-25/h11,13,16-18H,5-10,12H2,1-4H3,(H2,27,28,29)
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Assay Description
[γ-33P]ATP (10mCi/mL) was purchased from Perkin-Elmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (Ptd...


J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2Q242JB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM377027
PNG
(US10259818, Example 9 | US9944646, Example 9)
Show SMILES CC(c1cc(Cl)c(C)c2CN(C)CCOc12)n1nc(C)c2c(N)ncnc12
Show InChI InChI=1S/C19H23ClN6O/c1-10-14-8-25(4)5-6-27-17(14)13(7-15(10)20)12(3)26-19-16(11(2)24-26)18(21)22-9-23-19/h7,9,12H,5-6,8H2,1-4H3,(H2,21,22,23)
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Curacyte Chemistry GmbH



Assay Description
[γ-33P]ATP (10mCi/mL) was purchased from Perkin-Elmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (Ptd...


J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2Q242JB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM377028
PNG
(US10259818, Example 10 | US9944646, Example 10)
Show SMILES CC(C)N1CCOc2c(cc(Cl)c(C)c2C1)C(C)n1nc(C)c2c(N)ncnc12
Show InChI InChI=1S/C21H27ClN6O/c1-11(2)27-6-7-29-19-15(8-17(22)12(3)16(19)9-27)14(5)28-21-18(13(4)26-28)20(23)24-10-25-21/h8,10-11,14H,6-7,9H2,1-5H3,(H2,23,24,25)
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Assay Description
[γ-33P]ATP (10mCi/mL) was purchased from Perkin-Elmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (Ptd...


J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2Q242JB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM377029
PNG
(US10259818, Example 11 | US9944646, Example 11)
Show SMILES CC(c1cc(Cl)c(C)c2CN(CC#N)CCOc12)n1nc(C)c2c(N)ncnc12
Show InChI InChI=1S/C20H22ClN7O/c1-11-15-9-27(5-4-22)6-7-29-18(15)14(8-16(11)21)13(3)28-20-17(12(2)26-28)19(23)24-10-25-20/h8,10,13H,5-7,9H2,1-3H3,(H2,23,24,25)
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Assay Description
[γ-33P]ATP (10mCi/mL) was purchased from Perkin-Elmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (Ptd...


J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2Q242JB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM377030
PNG
(US10259818, Example 12 | US9944646, Example 12)
Show SMILES CC(c1cc(Cl)c(C)c2CN(CCOc12)C(=O)CC#N)n1nc(C)c2c(N)ncnc12
Show InChI InChI=1S/C21H22ClN7O2/c1-11-15-9-28(17(30)4-5-23)6-7-31-19(15)14(8-16(11)22)13(3)29-21-18(12(2)27-29)20(24)25-10-26-21/h8,10,13H,4,6-7,9H2,1-3H3,(H2,24,25,26)
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Assay Description
[γ-33P]ATP (10mCi/mL) was purchased from Perkin-Elmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (Ptd...


J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2Q242JB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM377031
PNG
(US10259818, Example 13 | US9944646, Example 13)
Show SMILES CC(c1cc(Cl)c(C)c2CN(CCOc12)S(C)(=O)=O)n1nc(C)c2c(N)ncnc12
Show InChI InChI=1S/C19H23ClN6O3S/c1-10-14-8-25(30(4,27)28)5-6-29-17(14)13(7-15(10)20)12(3)26-19-16(11(2)24-26)18(21)22-9-23-19/h7,9,12H,5-6,8H2,1-4H3,(H2,21,22,23)
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Assay Description
[γ-33P]ATP (10mCi/mL) was purchased from Perkin-Elmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (Ptd...


J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2Q242JB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM377032
PNG
(US10259818, Example 14 | US9944646, Example 14)
Show SMILES CC(c1cc(Cl)c(C)c2CN(CCOc12)S(=O)(=O)c1ccccc1)n1nc(C)c2c(N)ncnc12
Show InChI InChI=1S/C24H25ClN6O3S/c1-14-19-12-30(35(32,33)17-7-5-4-6-8-17)9-10-34-22(19)18(11-20(14)25)16(3)31-24-21(15(2)29-31)23(26)27-13-28-24/h4-8,11,13,16H,9-10,12H2,1-3H3,(H2,26,27,28)
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Assay Description
[γ-33P]ATP (10mCi/mL) was purchased from Perkin-Elmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (Ptd...


J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2Q242JB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM377033
PNG
(US10259818, Example 15 | US9944646, Example 15)
Show SMILES CC(c1cc(Cl)c(C)c2CN(CCOc12)C(=O)Nc1ccccc1C)n1nc(C)c2c(N)ncnc12
Show InChI InChI=1S/C26H28ClN7O2/c1-14-7-5-6-8-21(14)31-26(35)33-9-10-36-23-18(11-20(27)15(2)19(23)12-33)17(4)34-25-22(16(3)32-34)24(28)29-13-30-25/h5-8,11,13,17H,9-10,12H2,1-4H3,(H,31,35)(H2,28,29,30)
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Assay Description
[γ-33P]ATP (10mCi/mL) was purchased from Perkin-Elmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (Ptd...


J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2Q242JB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM377034
PNG
(US10259818, Example 16 | US9944646, Example 16)
Show SMILES CC(c1cc(Cl)c(C)c2CN(CCOc12)C(=O)c1ccccc1)n1nc(C)c2c(N)ncnc12
Show InChI InChI=1S/C25H25ClN6O2/c1-14-19-12-31(25(33)17-7-5-4-6-8-17)9-10-34-22(19)18(11-20(14)26)16(3)32-24-21(15(2)30-32)23(27)28-13-29-24/h4-8,11,13,16H,9-10,12H2,1-3H3,(H2,27,28,29)
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Assay Description
[γ-33P]ATP (10mCi/mL) was purchased from Perkin-Elmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (Ptd...


J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2Q242JB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM377035
PNG
(US10259818, Example 17 | US9944646, Example 17)
Show SMILES CC(c1cc(Cl)c(C)c2CN(CCOc12)S(=O)(=O)c1c(C)noc1C)n1nc(C)c2c(N)ncnc12
Show InChI InChI=1S/C23H26ClN7O4S/c1-11-17-9-30(36(32,33)21-13(3)29-35-15(21)5)6-7-34-20(17)16(8-18(11)24)14(4)31-23-19(12(2)28-31)22(25)26-10-27-23/h8,10,14H,6-7,9H2,1-5H3,(H2,25,26,27)
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Curacyte Chemistry GmbH



Assay Description
[γ-33P]ATP (10mCi/mL) was purchased from Perkin-Elmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (Ptd...


J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2Q242JB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM377036
PNG
(US10259818, Example 18 | US9944646, Example 18)
Show SMILES CC(c1cc(Cl)c(C)c2CN(CCOc12)S(=O)(=O)C1CC1)n1nc(C)c2c(N)ncnc12
Show InChI InChI=1S/C21H25ClN6O3S/c1-11-16-9-27(32(29,30)14-4-5-14)6-7-31-19(16)15(8-17(11)22)13(3)28-21-18(12(2)26-28)20(23)24-10-25-21/h8,10,13-14H,4-7,9H2,1-3H3,(H2,23,24,25)
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n/an/a<100n/an/an/an/an/an/a



Curacyte Chemistry GmbH



Assay Description
[γ-33P]ATP (10mCi/mL) was purchased from Perkin-Elmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (Ptd...


J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2Q242JB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM377037
PNG
(US10259818, Example 19 | US9944646, Example 19)
Show SMILES CC(c1cc(Cl)c(C)c2CN(CCOc12)C(C)=O)n1nc(C)c2c(N)ncnc12
Show InChI InChI=1S/C20H23ClN6O2/c1-10-15-8-26(13(4)28)5-6-29-18(15)14(7-16(10)21)12(3)27-20-17(11(2)25-27)19(22)23-9-24-20/h7,9,12H,5-6,8H2,1-4H3,(H2,22,23,24)
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n/an/a<100n/an/an/an/an/an/a



Curacyte Chemistry GmbH



Assay Description
[γ-33P]ATP (10mCi/mL) was purchased from Perkin-Elmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (Ptd...


J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2Q242JB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM377038
PNG
(US10259818, Example 20 | US9944646, Example 20)
Show SMILES CCC(=O)N1CCOc2c(C1)c(C)c(Cl)cc2C(C)n1nc(C)c2c(N)ncnc12
Show InChI InChI=1S/C21H25ClN6O2/c1-5-17(29)27-6-7-30-19-14(8-16(22)11(2)15(19)9-27)13(4)28-21-18(12(3)26-28)20(23)24-10-25-21/h8,10,13H,5-7,9H2,1-4H3,(H2,23,24,25)
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n/an/a<100n/an/an/an/an/an/a



Curacyte Chemistry GmbH



Assay Description
[γ-33P]ATP (10mCi/mL) was purchased from Perkin-Elmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (Ptd...


J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2Q242JB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM377039
PNG
(US10259818, Example 21 | US9944646, Example 21)
Show SMILES COCC(=O)N1CCOc2c(cc(Cl)c(C)c2C1)C(C)n1nc(C)c2c(N)ncnc12
Show InChI InChI=1S/C21H25ClN6O3/c1-11-15-8-27(17(29)9-30-4)5-6-31-19(15)14(7-16(11)22)13(3)28-21-18(12(2)26-28)20(23)24-10-25-21/h7,10,13H,5-6,8-9H2,1-4H3,(H2,23,24,25)
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n/an/a<100n/an/an/an/an/an/a



Curacyte Chemistry GmbH



Assay Description
[γ-33P]ATP (10mCi/mL) was purchased from Perkin-Elmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (Ptd...


J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2Q242JB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM377040
PNG
(US10259818, Example 22 | US9944646, Example 22)
Show SMILES CC(C)C(=O)N1CCOc2c(cc(Cl)c(C)c2C1)C(C)n1nc(C)c2c(N)ncnc12
Show InChI InChI=1S/C22H27ClN6O2/c1-11(2)22(30)28-6-7-31-19-15(8-17(23)12(3)16(19)9-28)14(5)29-21-18(13(4)27-29)20(24)25-10-26-21/h8,10-11,14H,6-7,9H2,1-5H3,(H2,24,25,26)
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n/an/a<100n/an/an/an/an/an/a



Curacyte Chemistry GmbH



Assay Description
[γ-33P]ATP (10mCi/mL) was purchased from Perkin-Elmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (Ptd...


J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2Q242JB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM377041
PNG
(US10259818, Example 23 | US9944646, Example 23)
Show SMILES CC(c1cc(Cl)c(C)c2CN(CCOc12)c1ncc(s1)C#N)n1nc(C)c2c(N)ncnc12
Show InChI InChI=1S/C22H21ClN8OS/c1-11-16-9-30(22-26-8-14(7-24)33-22)4-5-32-19(16)15(6-17(11)23)13(3)31-21-18(12(2)29-31)20(25)27-10-28-21/h6,8,10,13H,4-5,9H2,1-3H3,(H2,25,27,28)
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n/an/a<100n/an/an/an/an/an/a



Curacyte Chemistry GmbH



Assay Description
[γ-33P]ATP (10mCi/mL) was purchased from Perkin-Elmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (Ptd...


J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2Q242JB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM377042
PNG
(US10259818, Example 24 | US9944646, Example 24)
Show SMILES CC(c1cc(Cl)c(C)c2CN(CCOc12)c1cnccn1)n1nc(C)c2c(N)ncnc12
Show InChI InChI=1S/C22H23ClN8O/c1-12-16-10-30(18-9-25-4-5-26-18)6-7-32-20(16)15(8-17(12)23)14(3)31-22-19(13(2)29-31)21(24)27-11-28-22/h4-5,8-9,11,14H,6-7,10H2,1-3H3,(H2,24,27,28)
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Curacyte Chemistry GmbH



Assay Description
[γ-33P]ATP (10mCi/mL) was purchased from Perkin-Elmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (Ptd...


J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2Q242JB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM377043
PNG
(US10259818, Example 25 | US9944646, Example 25)
Show SMILES CC(c1cc(Cl)c(C)c2c1OCCNC2=O)n1nc(C)c2c(N)ncnc12
Show InChI InChI=1S/C18H19ClN6O2/c1-8-12(19)6-11(15-13(8)18(26)21-4-5-27-15)10(3)25-17-14(9(2)24-25)16(20)22-7-23-17/h6-7,10H,4-5H2,1-3H3,(H,21,26)(H2,20,22,23)
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Curacyte Chemistry GmbH



Assay Description
[γ-33P]ATP (10mCi/mL) was purchased from Perkin-Elmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (Ptd...


J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2Q242JB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM377044
PNG
(US10259818, Example 26)
Show SMILES C[C@H](c1cc(Cl)c(F)c2CN(CC(C)Oc12)C1CN(C1)C(=O)OC(C)(C)C)n1nc(C)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C26H33ClFN7O3/c1-13-8-33(16-9-34(10-16)25(36)38-26(4,5)6)11-18-21(28)19(27)7-17(22(18)37-13)15(3)35-24-20(14(2)32-35)23(29)30-12-31-24/h7,12-13,15-16H,8-11H2,1-6H3,(H2,29,30,31)/t13?,15-/m1/s1
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Curacyte Chemistry GmbH



Assay Description
[γ-33P]ATP (10mCi/mL) was purchased from Perkin-Elmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (Ptd...


J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2Q242JB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM377045
PNG
(US10259818, Example 27)
Show SMILES C[C@@H](c1cc(Cl)c(F)c2CN(CC(C)Oc12)C1CN(C1)C(=O)OC(C)(C)C)n1nc(C)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C26H33ClFN7O3/c1-13-8-33(16-9-34(10-16)25(36)38-26(4,5)6)11-18-21(28)19(27)7-17(22(18)37-13)15(3)35-24-20(14(2)32-35)23(29)30-12-31-24/h7,12-13,15-16H,8-11H2,1-6H3,(H2,29,30,31)/t13?,15-/m0/s1
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n/an/a<100n/an/an/an/an/an/a



Curacyte Chemistry GmbH



Assay Description
[γ-33P]ATP (10mCi/mL) was purchased from Perkin-Elmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (Ptd...


J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2Q242JB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM377046
PNG
(US10259818, Example 28)
Show SMILES C[C@H](c1cc(Cl)c(F)c2CN(CC(C)Oc12)C1CN(C1)C(C)=O)n1nc(C)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C23H27ClFN7O2/c1-11-6-31(15-7-30(8-15)14(4)33)9-17-20(25)18(24)5-16(21(17)34-11)13(3)32-23-19(12(2)29-32)22(26)27-10-28-23/h5,10-11,13,15H,6-9H2,1-4H3,(H2,26,27,28)/t11?,13-/m1/s1
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Curacyte Chemistry GmbH



Assay Description
[γ-33P]ATP (10mCi/mL) was purchased from Perkin-Elmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (Ptd...


J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2Q242JB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM377047
PNG
(US10259818, Example 29)
Show SMILES C[C@@H](c1cc(Cl)c(F)c2CN(CC(C)Oc12)C1CN(C1)C(C)=O)n1nc(C)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C23H27ClFN7O2/c1-11-6-31(15-7-30(8-15)14(4)33)9-17-20(25)18(24)5-16(21(17)34-11)13(3)32-23-19(12(2)29-32)22(26)27-10-28-23/h5,10-11,13,15H,6-9H2,1-4H3,(H2,26,27,28)/t11?,13-/m0/s1
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Curacyte Chemistry GmbH



Assay Description
[γ-33P]ATP (10mCi/mL) was purchased from Perkin-Elmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (Ptd...


J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2Q242JB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM377048
PNG
(US10259818, Example 30 | US9944646, Example 30)
Show SMILES C[C@H](c1cc(Cl)c(F)c2CN(C[C@@H](C)Oc12)C1CN(C1)C(C)=O)n1nc(C)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C23H27ClFN7O2/c1-11-6-31(15-7-30(8-15)14(4)33)9-17-20(25)18(24)5-16(21(17)34-11)13(3)32-23-19(12(2)29-32)22(26)27-10-28-23/h5,10-11,13,15H,6-9H2,1-4H3,(H2,26,27,28)/t11-,13-/m1/s1
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Curacyte Chemistry GmbH



Assay Description
[γ-33P]ATP (10mCi/mL) was purchased from Perkin-Elmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (Ptd...


J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2Q242JB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM377050
PNG
(US10259818, Example 32 | US9944646, Example 31)
Show SMILES C[C@H](c1cc(Cl)c(F)c2CN(C[C@H](C)Oc12)C1CN(C1)C(C)=O)n1nc(C)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C23H27ClFN7O2/c1-11-6-31(15-7-30(8-15)14(4)33)9-17-20(25)18(24)5-16(21(17)34-11)13(3)32-23-19(12(2)29-32)22(26)27-10-28-23/h5,10-11,13,15H,6-9H2,1-4H3,(H2,26,27,28)/t11-,13+/m0/s1
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Curacyte Chemistry GmbH



Assay Description
[γ-33P]ATP (10mCi/mL) was purchased from Perkin-Elmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (Ptd...


J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2Q242JB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM377052
PNG
(US10259818, Example 34 | US9944646, Example 34)
Show SMILES CC(c1cc(Cl)c(F)c2CN(CCOc12)C1CN(C1)C(C)=O)n1nc(C)c2c(N)ncnc12
Show InChI InChI=1S/C22H25ClFN7O2/c1-11-18-21(25)26-10-27-22(18)31(28-11)12(2)15-6-17(23)19(24)16-9-29(4-5-33-20(15)16)14-7-30(8-14)13(3)32/h6,10,12,14H,4-5,7-9H2,1-3H3,(H2,25,26,27)
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Curacyte Chemistry GmbH



Assay Description
[γ-33P]ATP (10mCi/mL) was purchased from Perkin-Elmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (Ptd...


J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2Q242JB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM377053
PNG
(US10259818, Example 35 | US9944646, Example 35)
Show SMILES CC(c1cc(Cl)c(F)c2CN([C@@H](C)COc12)S(C)(=O)=O)n1nc(C)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C19H22ClFN6O3S/c1-9-7-30-17-12(5-14(20)16(21)13(17)6-26(9)31(4,28)29)11(3)27-19-15(10(2)25-27)18(22)23-8-24-19/h5,8-9,11H,6-7H2,1-4H3,(H2,22,23,24)/t9-,11?/m0/s1
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Curacyte Chemistry GmbH



Assay Description
[γ-33P]ATP (10mCi/mL) was purchased from Perkin-Elmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (Ptd...


J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2Q242JB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM377055
PNG
(US10259818, Example 37 | US9944646, Example 37)
Show SMILES C[C@H](c1cc(Cl)c(F)c2CN(C[C@@H](C)Oc12)S(C)(=O)=O)n1nc(C)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C19H22ClFN6O3S/c1-9-6-26(31(4,28)29)7-13-16(21)14(20)5-12(17(13)30-9)11(3)27-19-15(10(2)25-27)18(22)23-8-24-19/h5,8-9,11H,6-7H2,1-4H3,(H2,22,23,24)/t9-,11-/m1/s1
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Curacyte Chemistry GmbH



Assay Description
[γ-33P]ATP (10mCi/mL) was purchased from Perkin-Elmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (Ptd...


J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2Q242JB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM377058
PNG
(US10259818, Example 40 | US9944646, Example 40)
Show SMILES C[C@@H](c1cc(Cl)c(F)c2CN(C[C@H](C)Oc12)S(C)(=O)=O)n1nc(C)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C19H22ClFN6O3S/c1-9-6-26(31(4,28)29)7-13-16(21)14(20)5-12(17(13)30-9)11(3)27-19-15(10(2)25-27)18(22)23-8-24-19/h5,8-9,11H,6-7H2,1-4H3,(H2,22,23,24)/t9-,11-/m0/s1
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Curacyte Chemistry GmbH



Assay Description
[γ-33P]ATP (10mCi/mL) was purchased from Perkin-Elmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (Ptd...


J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2Q242JB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM377059
PNG
(US10259818, Example 41 | US9944646, Example 41)
Show SMILES CC(c1cc(Cl)c(F)c2CN(C[C@H](C)Oc12)C1CC(C1)C(O)=O)n1nc(C)c2c(N)ncnc12 |r,wD:12.12,(2.11,-1.89,;.78,-2.66,;-.56,-1.89,;-1.89,-2.66,;-3.23,-1.89,;-4.56,-2.66,;-3.23,-.35,;-4.56,.42,;-1.89,.42,;-2.12,1.95,;-1.07,3.08,;.46,2.96,;1.33,1.69,;2.85,1.92,;.88,.22,;-.56,-.35,;-1.64,4.51,;-1.02,5.92,;-2.43,6.54,;-3.05,5.13,;-2.99,7.97,;-2.03,9.17,;-4.52,8.2,;.78,-4.2,;-.47,-5.1,;.01,-6.57,;-.9,-7.81,;1.55,-6.57,;2.58,-7.71,;2.1,-9.17,;4.08,-7.39,;4.56,-5.93,;3.53,-4.78,;2.02,-5.1,)|
Show InChI InChI=1S/C23H26ClFN6O3/c1-10-7-30(14-4-13(5-14)23(32)33)8-16-19(25)17(24)6-15(20(16)34-10)12(3)31-22-18(11(2)29-31)21(26)27-9-28-22/h6,9-10,12-14H,4-5,7-8H2,1-3H3,(H,32,33)(H2,26,27,28)/t10-,12?,13?,14?/m0/s1
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Curacyte Chemistry GmbH



Assay Description
[γ-33P]ATP (10mCi/mL) was purchased from Perkin-Elmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (Ptd...


J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2Q242JB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM377060
PNG
(US10259818, Example 42 | US9944646, Example 42)
Show SMILES CC(c1cc(Cl)c(F)c2CN(C[C@@H](C)Oc12)C1CC(C1)C(O)=O)n1nc(C)c2c(N)ncnc12 |r,wU:12.12,(2.11,-1.89,;.78,-2.66,;-.56,-1.89,;-1.89,-2.66,;-3.23,-1.89,;-4.56,-2.66,;-3.23,-.35,;-4.56,.42,;-1.89,.42,;-2.12,1.95,;-1.07,3.08,;.46,2.96,;1.33,1.69,;2.85,1.92,;.88,.22,;-.56,-.35,;-1.64,4.51,;-1.02,5.92,;-2.43,6.54,;-3.05,5.13,;-2.99,7.97,;-2.03,9.17,;-4.52,8.2,;.78,-4.2,;-.47,-5.1,;.01,-6.57,;-.9,-7.81,;1.55,-6.57,;2.58,-7.71,;2.1,-9.17,;4.08,-7.39,;4.56,-5.93,;3.53,-4.78,;2.02,-5.1,)|
Show InChI InChI=1S/C23H26ClFN6O3/c1-10-7-30(14-4-13(5-14)23(32)33)8-16-19(25)17(24)6-15(20(16)34-10)12(3)31-22-18(11(2)29-31)21(26)27-9-28-22/h6,9-10,12-14H,4-5,7-8H2,1-3H3,(H,32,33)(H2,26,27,28)/t10-,12?,13?,14?/m1/s1
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Curacyte Chemistry GmbH



Assay Description
[γ-33P]ATP (10mCi/mL) was purchased from Perkin-Elmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (Ptd...


J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2Q242JB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM377061
PNG
(US10259818, Example 43 | US9944646, Example 43)
Show SMILES CC(c1cc(Cl)c(F)c2CN(C[C@H](C)Oc12)C1CC(C1)C(N)=O)n1nc(C)c2c(N)ncnc12 |r,wD:12.12,(2.11,-1.89,;.78,-2.66,;-.56,-1.89,;-1.89,-2.66,;-3.23,-1.89,;-4.56,-2.66,;-3.23,-.35,;-4.56,.42,;-1.89,.42,;-2.12,1.95,;-1.07,3.08,;.46,2.96,;1.33,1.69,;2.85,1.92,;.88,.22,;-.56,-.35,;-1.64,4.51,;-1.02,5.92,;-2.43,6.54,;-3.05,5.13,;-2.99,7.97,;-2.03,9.17,;-4.52,8.2,;.78,-4.2,;-.47,-5.1,;.01,-6.57,;-.9,-7.81,;1.55,-6.57,;2.58,-7.71,;2.1,-9.17,;4.08,-7.39,;4.56,-5.93,;3.53,-4.78,;2.02,-5.1,)|
Show InChI InChI=1S/C23H27ClFN7O2/c1-10-7-31(14-4-13(5-14)22(27)33)8-16-19(25)17(24)6-15(20(16)34-10)12(3)32-23-18(11(2)30-32)21(26)28-9-29-23/h6,9-10,12-14H,4-5,7-8H2,1-3H3,(H2,27,33)(H2,26,28,29)/t10-,12?,13?,14?/m0/s1
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Curacyte Chemistry GmbH



Assay Description
[γ-33P]ATP (10mCi/mL) was purchased from Perkin-Elmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (Ptd...


J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2Q242JB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM377062
PNG
(US10259818, Example 44 | US9944646, Example 44)
Show SMILES CC(c1cc(Cl)c(F)c2CN(C[C@@H](C)Oc12)C1CC(C1)C(N)=O)n1nc(C)c2c(N)ncnc12 |r,wU:12.12,(2.11,-1.89,;.78,-2.66,;-.56,-1.89,;-1.89,-2.66,;-3.23,-1.89,;-4.56,-2.66,;-3.23,-.35,;-4.56,.42,;-1.89,.42,;-2.12,1.95,;-1.07,3.08,;.46,2.96,;1.33,1.69,;2.85,1.92,;.88,.22,;-.56,-.35,;-1.64,4.51,;-1.02,5.92,;-2.43,6.54,;-3.05,5.13,;-2.99,7.97,;-2.03,9.17,;-4.52,8.2,;.78,-4.2,;-.47,-5.1,;.01,-6.57,;-.9,-7.81,;1.55,-6.57,;2.58,-7.71,;2.1,-9.17,;4.08,-7.39,;4.56,-5.93,;3.53,-4.78,;2.02,-5.1,)|
Show InChI InChI=1S/C23H27ClFN7O2/c1-10-7-31(14-4-13(5-14)22(27)33)8-16-19(25)17(24)6-15(20(16)34-10)12(3)32-23-18(11(2)30-32)21(26)28-9-29-23/h6,9-10,12-14H,4-5,7-8H2,1-3H3,(H2,27,33)(H2,26,28,29)/t10-,12?,13?,14?/m1/s1
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n/an/a<100n/an/an/an/an/an/a



Curacyte Chemistry GmbH



Assay Description
[γ-33P]ATP (10mCi/mL) was purchased from Perkin-Elmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (Ptd...


J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2Q242JB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM377063
PNG
(US10259818, Example 45)
Show SMILES CC(c1cc(Cl)c(F)c2CN(CCCOc12)S(C)(=O)=O)n1nc(C)c2c(N)ncnc12
Show InChI InChI=1S/C19H22ClFN6O3S/c1-10-15-18(22)23-9-24-19(15)27(25-10)11(2)12-7-14(20)16(21)13-8-26(31(3,28)29)5-4-6-30-17(12)13/h7,9,11H,4-6,8H2,1-3H3,(H2,22,23,24)
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n/an/a<100n/an/an/an/an/an/a



Curacyte Chemistry GmbH



Assay Description
[γ-33P]ATP (10mCi/mL) was purchased from Perkin-Elmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (Ptd...


J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2Q242JB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM377064
PNG
(US10259818, Example 46 | US9944646, Example 46)
Show SMILES CC(c1cc(Cl)c(C#N)c2CN(CCOc12)C1CN(C1)C(C)=O)n1nc(C)c2c(N)ncnc12
Show InChI InChI=1S/C23H25ClN8O2/c1-12-20-22(26)27-11-28-23(20)32(29-12)13(2)16-6-19(24)17(7-25)18-10-30(4-5-34-21(16)18)15-8-31(9-15)14(3)33/h6,11,13,15H,4-5,8-10H2,1-3H3,(H2,26,27,28)
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Curacyte Chemistry GmbH



Assay Description
[γ-33P]ATP (10mCi/mL) was purchased from Perkin-Elmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (Ptd...


J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2Q242JB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM377065
PNG
(US10259818, Example 47 | US9944646, Example 47)
Show SMILES CC(c1cc(Cl)c(C#N)c2CN(CCOc12)C1CN(CCO)C1)n1nc(C)c2c(N)ncnc12
Show InChI InChI=1S/C23H27ClN8O2/c1-13-20-22(26)27-12-28-23(20)32(29-13)14(2)16-7-19(24)17(8-25)18-11-31(4-6-34-21(16)18)15-9-30(10-15)3-5-33/h7,12,14-15,33H,3-6,9-11H2,1-2H3,(H2,26,27,28)
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Curacyte Chemistry GmbH



Assay Description
[γ-33P]ATP (10mCi/mL) was purchased from Perkin-Elmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (Ptd...


J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2Q242JB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM377067
PNG
(US10259818, Example 49 | US9944646, Example 48)
Show SMILES CC(c1cc(Cl)c(C#N)c2CN(C[C@@H](C)Oc12)C1CN(C1)C(C)=O)n1nc(C)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C24H27ClN8O2/c1-12-7-32(16-8-31(9-16)15(4)34)10-19-18(6-26)20(25)5-17(22(19)35-12)14(3)33-24-21(13(2)30-33)23(27)28-11-29-24/h5,11-12,14,16H,7-10H2,1-4H3,(H2,27,28,29)/t12-,14?/m1/s1
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Curacyte Chemistry GmbH



Assay Description
[γ-33P]ATP (10mCi/mL) was purchased from Perkin-Elmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (Ptd...


J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2Q242JB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM377068
PNG
(US10259818, Example 50 | US10259818, Example 52 | ...)
Show SMILES CC(c1cc(Cl)c(C#N)c2CN(C[C@H](C)Oc12)C1CN(CC(N)=O)C1)n1nc(C)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C24H28ClN9O2/c1-12-6-33(15-7-32(8-15)10-20(27)35)9-18-17(5-26)19(25)4-16(22(18)36-12)14(3)34-24-21(13(2)31-34)23(28)29-11-30-24/h4,11-12,14-15H,6-10H2,1-3H3,(H2,27,35)(H2,28,29,30)/t12-,14?/m0/s1
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Curacyte Chemistry GmbH



Assay Description
[γ-33P]ATP (10mCi/mL) was purchased from Perkin-Elmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (Ptd...


J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2Q242JB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM377069
PNG
(US10259818, Example 51 | US10259818, Example 53 | ...)
Show SMILES CC(c1cc(Cl)c(C#N)c2CN(C[C@@H](C)Oc12)C1CN(CC(N)=O)C1)n1nc(C)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C24H28ClN9O2/c1-12-6-33(15-7-32(8-15)10-20(27)35)9-18-17(5-26)19(25)4-16(22(18)36-12)14(3)34-24-21(13(2)31-34)23(28)29-11-30-24/h4,11-12,14-15H,6-10H2,1-3H3,(H2,27,35)(H2,28,29,30)/t12-,14?/m1/s1
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Curacyte Chemistry GmbH



Assay Description
[γ-33P]ATP (10mCi/mL) was purchased from Perkin-Elmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (Ptd...


J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2Q242JB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM377068
PNG
(US10259818, Example 50 | US10259818, Example 52 | ...)
Show SMILES CC(c1cc(Cl)c(C#N)c2CN(C[C@H](C)Oc12)C1CN(CC(N)=O)C1)n1nc(C)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C24H28ClN9O2/c1-12-6-33(15-7-32(8-15)10-20(27)35)9-18-17(5-26)19(25)4-16(22(18)36-12)14(3)34-24-21(13(2)31-34)23(28)29-11-30-24/h4,11-12,14-15H,6-10H2,1-3H3,(H2,27,35)(H2,28,29,30)/t12-,14?/m0/s1
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Curacyte Chemistry GmbH



Assay Description
[γ-33P]ATP (10mCi/mL) was purchased from Perkin-Elmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (Ptd...


J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2Q242JB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM377069
PNG
(US10259818, Example 51 | US10259818, Example 53 | ...)
Show SMILES CC(c1cc(Cl)c(C#N)c2CN(C[C@@H](C)Oc12)C1CN(CC(N)=O)C1)n1nc(C)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C24H28ClN9O2/c1-12-6-33(15-7-32(8-15)10-20(27)35)9-18-17(5-26)19(25)4-16(22(18)36-12)14(3)34-24-21(13(2)31-34)23(28)29-11-30-24/h4,11-12,14-15H,6-10H2,1-3H3,(H2,27,35)(H2,28,29,30)/t12-,14?/m1/s1
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Curacyte Chemistry GmbH



Assay Description
[γ-33P]ATP (10mCi/mL) was purchased from Perkin-Elmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (Ptd...


J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2Q242JB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM377072
PNG
(US10259818, Example 54 | US9944646, Example 55)
Show SMILES CC(c1cc(Cl)c(C#N)c2CN(C[C@H](C)Oc12)C1CN(CC(C)(C)O)C1)n1nc(C)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C26H33ClN8O2/c1-14-8-34(17-9-33(10-17)12-26(4,5)36)11-20-19(7-28)21(27)6-18(23(20)37-14)16(3)35-25-22(15(2)32-35)24(29)30-13-31-25/h6,13-14,16-17,36H,8-12H2,1-5H3,(H2,29,30,31)/t14-,16?/m0/s1
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n/an/a<100n/an/an/an/an/an/a



Curacyte Chemistry GmbH



Assay Description
[γ-33P]ATP (10mCi/mL) was purchased from Perkin-Elmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (Ptd...


J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2Q242JB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM377073
PNG
(US10259818, Example 55)
Show SMILES CC(c1cc(Cl)c(C#N)c2CN(C[C@@H](C)Oc12)C1CN(CC(C)(C)O)C1)n1nc(C)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C26H33ClN8O2/c1-14-8-34(17-9-33(10-17)12-26(4,5)36)11-20-19(7-28)21(27)6-18(23(20)37-14)16(3)35-25-22(15(2)32-35)24(29)30-13-31-25/h6,13-14,16-17,36H,8-12H2,1-5H3,(H2,29,30,31)/t14-,16?/m1/s1
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UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Curacyte Chemistry GmbH



Assay Description
[γ-33P]ATP (10mCi/mL) was purchased from Perkin-Elmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (Ptd...


J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2Q242JB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM377074
PNG
(US10259818, Example 103 | US10259818, Example 56 |...)
Show SMILES CC(c1cc(Cl)c(C#N)c2CN(C[C@H](C)Oc12)C1CN(CCO)C1)n1nc(C)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C24H29ClN8O2/c1-13-8-32(16-9-31(10-16)4-5-34)11-19-18(7-26)20(25)6-17(22(19)35-13)15(3)33-24-21(14(2)30-33)23(27)28-12-29-24/h6,12-13,15-16,34H,4-5,8-11H2,1-3H3,(H2,27,28,29)/t13-,15?/m0/s1
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UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Curacyte Chemistry GmbH



Assay Description
[γ-33P]ATP (10mCi/mL) was purchased from Perkin-Elmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (Ptd...


J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2Q242JB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM377075
PNG
(US10259818, Example 104 | US10259818, Example 57 |...)
Show SMILES CC(c1cc(Cl)c(C#N)c2CN(C[C@@H](C)Oc12)C1CN(CCO)C1)n1nc(C)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C24H29ClN8O2/c1-13-8-32(16-9-31(10-16)4-5-34)11-19-18(7-26)20(25)6-17(22(19)35-13)15(3)33-24-21(14(2)30-33)23(27)28-12-29-24/h6,12-13,15-16,34H,4-5,8-11H2,1-3H3,(H2,27,28,29)/t13-,15?/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Curacyte Chemistry GmbH



Assay Description
[γ-33P]ATP (10mCi/mL) was purchased from Perkin-Elmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (Ptd...


J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2Q242JB
More data for this
Ligand-Target Pair
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