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Compile Data Set for Download or QSAR

Found 81 hits Enz. Inhib. hit(s) with all data for entry = 8215   
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))
BDBM236980
PNG
(US9388189, 163)
Show SMILES C[C@H](Nc1ncnc2[nH]cc(-c3ccn(n3)-c3cccc(O)c3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C30H25N9O2/c1-18-11-13-38-26(18)30(41)39(20-7-4-3-5-8-20)29(36-38)19(2)34-28-25-23(16-31-27(25)32-17-33-28)24-12-14-37(35-24)21-9-6-10-22(40)15-21/h3-17,19,40H,1-2H3,(H2,31,32,33,34)/t19-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
PI-3 Kinase HTRF kit (ref. #33-037) and the different PI3K recombinant isoforms (ref. #14-602, ref. #14-603, ref. #14-604, ref. #15-558 for Alpha, Be...


US Patent US9388189 (2016)


BindingDB Entry DOI: 10.7270/Q2K64H0P
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM236994
PNG
(US9388189, 209)
Show SMILES C[C@H](Nc1ncnc2[nH]cc(-c3cc(NS(C)(=O)=O)c4cc[nH]c4c3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C30H27N9O3S/c1-17-10-12-38-26(17)30(40)39(20-7-5-4-6-8-20)29(36-38)18(2)35-28-25-22(15-32-27(25)33-16-34-28)19-13-23-21(9-11-31-23)24(14-19)37-43(3,41)42/h4-16,18,31,37H,1-3H3,(H2,32,33,34,35)/t18-/m0/s1
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Almirall, S.A.

US Patent


Assay Description
PI-3 Kinase HTRF kit (ref. #33-037) and the different PI3K recombinant isoforms (ref. #14-602, ref. #14-603, ref. #14-604, ref. #15-558 for Alpha, Be...


US Patent US9388189 (2016)


BindingDB Entry DOI: 10.7270/Q2K64H0P
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM236992
PNG
(US9388189, 195)
Show SMILES C[C@H](Nc1ncnc(N)c1C(=O)Oc1cc(O)cc(NS(C)(=O)=O)c1)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C27H26N8O6S/c1-15-9-10-34-22(15)26(37)35(18-7-5-4-6-8-18)25(32-34)16(2)31-24-21(23(28)29-14-30-24)27(38)41-20-12-17(11-19(36)13-20)33-42(3,39)40/h4-14,16,33,36H,1-3H3,(H3,28,29,30,31)/t16-/m0/s1
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Almirall, S.A.

US Patent


Assay Description
PI-3 Kinase HTRF kit (ref. #33-037) and the different PI3K recombinant isoforms (ref. #14-602, ref. #14-603, ref. #14-604, ref. #15-558 for Alpha, Be...


US Patent US9388189 (2016)


BindingDB Entry DOI: 10.7270/Q2K64H0P
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM236967
PNG
(US9388189, 139)
Show SMILES C[C@H](Nc1ncnc2[nH]cc(-c3cnc4[nH]ccc4c3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C28H23N9O/c1-16-9-11-36-23(16)28(38)37(20-6-4-3-5-7-20)27(35-36)17(2)34-26-22-21(14-31-25(22)32-15-33-26)19-12-18-8-10-29-24(18)30-13-19/h3-15,17H,1-2H3,(H,29,30)(H2,31,32,33,34)/t17-/m0/s1
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Almirall, S.A.

US Patent


Assay Description
PI-3 Kinase HTRF kit (ref. #33-037) and the different PI3K recombinant isoforms (ref. #14-602, ref. #14-603, ref. #14-604, ref. #15-558 for Alpha, Be...


US Patent US9388189 (2016)


BindingDB Entry DOI: 10.7270/Q2K64H0P
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM236977
PNG
(US9388189, 157)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(O)cc1)-c1c(N)ncnc1N[C@@H](C)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C31H29N9O5S/c1-18-13-14-39-26(18)31(42)40(21-7-5-4-6-8-21)29(37-39)19(2)36-28-25(27(32)34-17-35-28)20-15-24(30(45-3)33-16-20)38-46(43,44)23-11-9-22(41)10-12-23/h4-17,19,38,41H,1-3H3,(H3,32,34,35,36)/t19-/m0/s1
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Almirall, S.A.

US Patent


Assay Description
PI-3 Kinase HTRF kit (ref. #33-037) and the different PI3K recombinant isoforms (ref. #14-602, ref. #14-603, ref. #14-604, ref. #15-558 for Alpha, Be...


US Patent US9388189 (2016)


BindingDB Entry DOI: 10.7270/Q2K64H0P
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM236970
PNG
(US9388189, 145)
Show SMILES C[C@H](Nc1ncnc2[nH]cc(-c3ccn(CC(F)(F)F)n3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C26H22F3N9O/c1-15-8-11-37-21(15)25(39)38(17-6-4-3-5-7-17)24(35-37)16(2)33-23-20-18(12-30-22(20)31-14-32-23)19-9-10-36(34-19)13-26(27,28)29/h3-12,14,16H,13H2,1-2H3,(H2,30,31,32,33)/t16-/m0/s1
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Almirall, S.A.

US Patent


Assay Description
PI-3 Kinase HTRF kit (ref. #33-037) and the different PI3K recombinant isoforms (ref. #14-602, ref. #14-603, ref. #14-604, ref. #15-558 for Alpha, Be...


US Patent US9388189 (2016)


BindingDB Entry DOI: 10.7270/Q2K64H0P
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM236968
PNG
(US9388189, 140)
Show SMILES C[C@H](Nc1ncnc2[nH]cc(-c3cnn(CCCO)c3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C27H27N9O2/c1-17-9-11-35-23(17)27(38)36(20-7-4-3-5-8-20)26(33-35)18(2)32-25-22-21(14-28-24(22)29-16-30-25)19-13-31-34(15-19)10-6-12-37/h3-5,7-9,11,13-16,18,37H,6,10,12H2,1-2H3,(H2,28,29,30,32)/t18-/m0/s1
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Almirall, S.A.

US Patent


Assay Description
PI-3 Kinase HTRF kit (ref. #33-037) and the different PI3K recombinant isoforms (ref. #14-602, ref. #14-603, ref. #14-604, ref. #15-558 for Alpha, Be...


US Patent US9388189 (2016)


BindingDB Entry DOI: 10.7270/Q2K64H0P
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM236949
PNG
(US9388189, 85)
Show SMILES C[C@H](Nc1ncnc2[nH]cc(-c3cccc(c3)S(=O)(=O)N3CCOCC3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C31H30N8O4S/c1-20-11-12-38-27(20)31(40)39(23-8-4-3-5-9-23)30(36-38)21(2)35-29-26-25(18-32-28(26)33-19-34-29)22-7-6-10-24(17-22)44(41,42)37-13-15-43-16-14-37/h3-12,17-19,21H,13-16H2,1-2H3,(H2,32,33,34,35)/t21-/m0/s1
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Almirall, S.A.

US Patent


Assay Description
PI-3 Kinase HTRF kit (ref. #33-037) and the different PI3K recombinant isoforms (ref. #14-602, ref. #14-603, ref. #14-604, ref. #15-558 for Alpha, Be...


US Patent US9388189 (2016)


BindingDB Entry DOI: 10.7270/Q2K64H0P
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM236985
PNG
(US9388189, 175)
Show SMILES C[C@H](Nc1ncnc2[nH]cc(-c3cc(O)cc(NC(N)=O)c3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C28H25N9O3/c1-15-8-9-36-23(15)27(39)37(19-6-4-3-5-7-19)26(35-36)16(2)33-25-22-21(13-30-24(22)31-14-32-25)17-10-18(34-28(29)40)12-20(38)11-17/h3-14,16,38H,1-2H3,(H3,29,34,40)(H2,30,31,32,33)/t16-/m0/s1
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Almirall, S.A.

US Patent


Assay Description
PI-3 Kinase HTRF kit (ref. #33-037) and the different PI3K recombinant isoforms (ref. #14-602, ref. #14-603, ref. #14-604, ref. #15-558 for Alpha, Be...


US Patent US9388189 (2016)


BindingDB Entry DOI: 10.7270/Q2K64H0P
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM236996
PNG
(US9388189, 219)
Show SMILES C[C@H](Nc1ncnc2[nH]cc(-c3cc(NS(C)(=O)=O)cc(c3)C(=O)N(C)C)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C31H31N9O4S/c1-18-11-12-39-26(18)31(42)40(23-9-7-6-8-10-23)29(36-39)19(2)35-28-25-24(16-32-27(25)33-17-34-28)20-13-21(30(41)38(3)4)15-22(14-20)37-45(5,43)44/h6-17,19,37H,1-5H3,(H2,32,33,34,35)/t19-/m0/s1
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Almirall, S.A.

US Patent


Assay Description
PI-3 Kinase HTRF kit (ref. #33-037) and the different PI3K recombinant isoforms (ref. #14-602, ref. #14-603, ref. #14-604, ref. #15-558 for Alpha, Be...


US Patent US9388189 (2016)


BindingDB Entry DOI: 10.7270/Q2K64H0P
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM236975
PNG
(US9388189, 155)
Show SMILES C[C@H](Nc1ncnc2[nH]cc(-c3ccn(CC(C)(C)CO)n3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C29H31N9O2/c1-18-10-13-37-24(18)28(40)38(20-8-6-5-7-9-20)27(35-37)19(2)33-26-23-21(14-30-25(23)31-17-32-26)22-11-12-36(34-22)15-29(3,4)16-39/h5-14,17,19,39H,15-16H2,1-4H3,(H2,30,31,32,33)/t19-/m0/s1
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Almirall, S.A.

US Patent


Assay Description
PI-3 Kinase HTRF kit (ref. #33-037) and the different PI3K recombinant isoforms (ref. #14-602, ref. #14-603, ref. #14-604, ref. #15-558 for Alpha, Be...


US Patent US9388189 (2016)


BindingDB Entry DOI: 10.7270/Q2K64H0P
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM236946
PNG
(US9388189, 80)
Show SMILES C[C@H](Nc1ncnc2[nH]cc(C#Cc3ccccc3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C29H23N7O/c1-19-15-16-35-25(19)29(37)36(23-11-7-4-8-12-23)28(34-35)20(2)33-27-24-22(17-30-26(24)31-18-32-27)14-13-21-9-5-3-6-10-21/h3-12,15-18,20H,1-2H3,(H2,30,31,32,33)/t20-/m0/s1
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Almirall, S.A.

US Patent


Assay Description
PI-3 Kinase HTRF kit (ref. #33-037) and the different PI3K recombinant isoforms (ref. #14-602, ref. #14-603, ref. #14-604, ref. #15-558 for Alpha, Be...


US Patent US9388189 (2016)


BindingDB Entry DOI: 10.7270/Q2K64H0P
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM236988
PNG
(US9388189, 186)
Show SMILES COc1ccc(cc1)S(=O)(=O)n1ncc2ccc(cc12)-c1c(N)ncnc1N[C@@H](C)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C33H29N9O4S/c1-20-15-16-40-29(20)33(43)41(24-7-5-4-6-8-24)32(39-40)21(2)38-31-28(30(34)35-19-36-31)22-9-10-23-18-37-42(27(23)17-22)47(44,45)26-13-11-25(46-3)12-14-26/h4-19,21H,1-3H3,(H3,34,35,36,38)/t21-/m0/s1
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Almirall, S.A.

US Patent


Assay Description
PI-3 Kinase HTRF kit (ref. #33-037) and the different PI3K recombinant isoforms (ref. #14-602, ref. #14-603, ref. #14-604, ref. #15-558 for Alpha, Be...


US Patent US9388189 (2016)


BindingDB Entry DOI: 10.7270/Q2K64H0P
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM236971
PNG
(US9388189, 147)
Show SMILES COc1cc(cc(c1)-c1c[nH]c2ncnc(N[C@@H](C)c3nn4ccc(C)c4c(=O)n3-c3ccccc3)c12)C#N
Show InChI InChI=1S/C29H24N8O2/c1-17-9-10-36-25(17)29(38)37(21-7-5-4-6-8-21)28(35-36)18(2)34-27-24-23(15-31-26(24)32-16-33-27)20-11-19(14-30)12-22(13-20)39-3/h4-13,15-16,18H,1-3H3,(H2,31,32,33,34)/t18-/m0/s1
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Almirall, S.A.

US Patent


Assay Description
PI-3 Kinase HTRF kit (ref. #33-037) and the different PI3K recombinant isoforms (ref. #14-602, ref. #14-603, ref. #14-604, ref. #15-558 for Alpha, Be...


US Patent US9388189 (2016)


BindingDB Entry DOI: 10.7270/Q2K64H0P
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM236962
PNG
(US9388189, 127)
Show SMILES C[C@H](Nc1ncnc(N)c1-c1cncc(OC(F)F)c1)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C25H22F2N8O2/c1-14-8-9-34-20(14)24(36)35(17-6-4-3-5-7-17)23(33-34)15(2)32-22-19(21(28)30-13-31-22)16-10-18(12-29-11-16)37-25(26)27/h3-13,15,25H,1-2H3,(H3,28,30,31,32)/t15-/m0/s1
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Almirall, S.A.

US Patent


Assay Description
PI-3 Kinase HTRF kit (ref. #33-037) and the different PI3K recombinant isoforms (ref. #14-602, ref. #14-603, ref. #14-604, ref. #15-558 for Alpha, Be...


US Patent US9388189 (2016)


BindingDB Entry DOI: 10.7270/Q2K64H0P
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM236990
PNG
(US9388189, 188)
Show SMILES C[C@H](Nc1ncnc2[nH]cc(-c3cccc(c3)-c3nnc(C)o3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C30H25N9O2/c1-17-12-13-38-25(17)30(40)39(22-10-5-4-6-11-22)28(37-38)18(2)34-27-24-23(15-31-26(24)32-16-33-27)20-8-7-9-21(14-20)29-36-35-19(3)41-29/h4-16,18H,1-3H3,(H2,31,32,33,34)/t18-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
PI-3 Kinase HTRF kit (ref. #33-037) and the different PI3K recombinant isoforms (ref. #14-602, ref. #14-603, ref. #14-604, ref. #15-558 for Alpha, Be...


US Patent US9388189 (2016)


BindingDB Entry DOI: 10.7270/Q2K64H0P
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM236955
PNG
(US9388189, 106)
Show SMILES C[C@H](Nc1ncnc(N)c1-c1cccc(NS(=O)(=O)c2ccc(O)cc2)c1)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C31H28N8O4S/c1-19-15-16-38-27(19)31(41)39(23-9-4-3-5-10-23)30(36-38)20(2)35-29-26(28(32)33-18-34-29)21-7-6-8-22(17-21)37-44(42,43)25-13-11-24(40)12-14-25/h3-18,20,37,40H,1-2H3,(H3,32,33,34,35)/t20-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
PI-3 Kinase HTRF kit (ref. #33-037) and the different PI3K recombinant isoforms (ref. #14-602, ref. #14-603, ref. #14-604, ref. #15-558 for Alpha, Be...


US Patent US9388189 (2016)


BindingDB Entry DOI: 10.7270/Q2K64H0P
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM236960
PNG
(US9388189, 120)
Show SMILES CCNc1nnc(s1)-c1c[nH]c2ncnc(N[C@@H](C)c3nn4ccc(C)c4c(=O)n3-c3ccccc3)c12
Show InChI InChI=1S/C25H24N10OS/c1-4-26-25-32-31-23(37-25)17-12-27-20-18(17)21(29-13-28-20)30-15(3)22-33-34-11-10-14(2)19(34)24(36)35(22)16-8-6-5-7-9-16/h5-13,15H,4H2,1-3H3,(H,26,32)(H2,27,28,29,30)/t15-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
PI-3 Kinase HTRF kit (ref. #33-037) and the different PI3K recombinant isoforms (ref. #14-602, ref. #14-603, ref. #14-604, ref. #15-558 for Alpha, Be...


US Patent US9388189 (2016)


BindingDB Entry DOI: 10.7270/Q2K64H0P
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM236945
PNG
(US9388189, 78)
Show SMILES C[C@H](Nc1ncnc2[nH]cc(Cc3cc(O)cc(F)c3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C28H24FN7O2/c1-16-8-9-35-24(16)28(38)36(21-6-4-3-5-7-21)27(34-35)17(2)33-26-23-19(14-30-25(23)31-15-32-26)10-18-11-20(29)13-22(37)12-18/h3-9,11-15,17,37H,10H2,1-2H3,(H2,30,31,32,33)/t17-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
PI-3 Kinase HTRF kit (ref. #33-037) and the different PI3K recombinant isoforms (ref. #14-602, ref. #14-603, ref. #14-604, ref. #15-558 for Alpha, Be...


US Patent US9388189 (2016)


BindingDB Entry DOI: 10.7270/Q2K64H0P
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM236997
PNG
(US9388189, 225)
Show SMILES C[C@H](Nc1ncnc2[nH]cc(-c3ccnc(c3)N3CCC(CC3)N(C)C)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C33H36N10O/c1-21-11-17-42-29(21)33(44)43(25-8-6-5-7-9-25)32(39-42)22(2)38-31-28-26(19-35-30(28)36-20-37-31)23-10-14-34-27(18-23)41-15-12-24(13-16-41)40(3)4/h5-11,14,17-20,22,24H,12-13,15-16H2,1-4H3,(H2,35,36,37,38)/t22-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
PI-3 Kinase HTRF kit (ref. #33-037) and the different PI3K recombinant isoforms (ref. #14-602, ref. #14-603, ref. #14-604, ref. #15-558 for Alpha, Be...


US Patent US9388189 (2016)


BindingDB Entry DOI: 10.7270/Q2K64H0P
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM236957
PNG
(US9388189, 114)
Show SMILES C[C@H](Nc1ncnc(N)c1-c1cncc(c1)C(F)(F)F)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C25H21F3N8O/c1-14-8-9-35-20(14)24(37)36(18-6-4-3-5-7-18)23(34-35)15(2)33-22-19(21(29)31-13-32-22)16-10-17(12-30-11-16)25(26,27)28/h3-13,15H,1-2H3,(H3,29,31,32,33)/t15-/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
PI-3 Kinase HTRF kit (ref. #33-037) and the different PI3K recombinant isoforms (ref. #14-602, ref. #14-603, ref. #14-604, ref. #15-558 for Alpha, Be...


US Patent US9388189 (2016)


BindingDB Entry DOI: 10.7270/Q2K64H0P
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM236948
PNG
(US9388189, 83)
Show SMILES C[C@H](Nc1ncnc(N)c1C(=O)Nc1ccc(O)c(F)c1)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C26H23FN8O3/c1-14-10-11-34-21(14)26(38)35(17-6-4-3-5-7-17)24(33-34)15(2)31-23-20(22(28)29-13-30-23)25(37)32-16-8-9-19(36)18(27)12-16/h3-13,15,36H,1-2H3,(H,32,37)(H3,28,29,30,31)/t15-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
PI-3 Kinase HTRF kit (ref. #33-037) and the different PI3K recombinant isoforms (ref. #14-602, ref. #14-603, ref. #14-604, ref. #15-558 for Alpha, Be...


US Patent US9388189 (2016)


BindingDB Entry DOI: 10.7270/Q2K64H0P
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM236961
PNG
(US9388189, 125)
Show SMILES C[C@H](Nc1ncnc2[nH]cc(-c3cc(O)cc(NS(=O)(=O)c4ccc(O)cc4)c3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C33H28N8O5S/c1-19-12-13-40-29(19)33(44)41(23-6-4-3-5-7-23)32(38-40)20(2)37-31-28-27(17-34-30(28)35-18-36-31)21-14-22(16-25(43)15-21)39-47(45,46)26-10-8-24(42)9-11-26/h3-18,20,39,42-43H,1-2H3,(H2,34,35,36,37)/t20-/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
PI-3 Kinase HTRF kit (ref. #33-037) and the different PI3K recombinant isoforms (ref. #14-602, ref. #14-603, ref. #14-604, ref. #15-558 for Alpha, Be...


US Patent US9388189 (2016)


BindingDB Entry DOI: 10.7270/Q2K64H0P
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM236989
PNG
(US9388189, 187)
Show SMILES CCOc1ncc(cc1NS(=O)(=O)c1ccc(O)cc1)-c1c(N)ncnc1N[C@@H](C)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C32H31N9O5S/c1-4-46-31-25(39-47(44,45)24-12-10-23(42)11-13-24)16-21(17-34-31)26-28(33)35-18-36-29(26)37-20(3)30-38-40-15-14-19(2)27(40)32(43)41(30)22-8-6-5-7-9-22/h5-18,20,39,42H,4H2,1-3H3,(H3,33,35,36,37)/t20-/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
PI-3 Kinase HTRF kit (ref. #33-037) and the different PI3K recombinant isoforms (ref. #14-602, ref. #14-603, ref. #14-604, ref. #15-558 for Alpha, Be...


US Patent US9388189 (2016)


BindingDB Entry DOI: 10.7270/Q2K64H0P
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM236944
PNG
(US9388189, 76)
Show SMILES C[C@H](Nc1ncnc2[nH]cc(-c3cc(NS(C)(=O)=O)cc(c3)N(C)C)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C30H31N9O3S/c1-18-11-12-38-26(18)30(40)39(22-9-7-6-8-10-22)29(35-38)19(2)34-28-25-24(16-31-27(25)32-17-33-28)20-13-21(36-43(5,41)42)15-23(14-20)37(3)4/h6-17,19,36H,1-5H3,(H2,31,32,33,34)/t19-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
PI-3 Kinase HTRF kit (ref. #33-037) and the different PI3K recombinant isoforms (ref. #14-602, ref. #14-603, ref. #14-604, ref. #15-558 for Alpha, Be...


US Patent US9388189 (2016)


BindingDB Entry DOI: 10.7270/Q2K64H0P
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM236991
PNG
(US9388189, 190)
Show SMILES C[C@H](Nc1ncnc(N)c1-c1cc(NS(=O)(=O)c2ccc(O)cc2)c2cc[nH]c2c1)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C33H29N9O4S/c1-19-13-15-41-29(19)33(44)42(22-6-4-3-5-7-22)32(39-41)20(2)38-31-28(30(34)36-18-37-31)21-16-26-25(12-14-35-26)27(17-21)40-47(45,46)24-10-8-23(43)9-11-24/h3-18,20,35,40,43H,1-2H3,(H3,34,36,37,38)/t20-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
PI-3 Kinase HTRF kit (ref. #33-037) and the different PI3K recombinant isoforms (ref. #14-602, ref. #14-603, ref. #14-604, ref. #15-558 for Alpha, Be...


US Patent US9388189 (2016)


BindingDB Entry DOI: 10.7270/Q2K64H0P
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM236958
PNG
(US9388189, 116)
Show SMILES C[C@H](Nc1ncnc(N)c1-c1cnn(CCO)c1)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C24H25N9O2/c1-15-8-9-32-20(15)24(35)33(18-6-4-3-5-7-18)23(30-32)16(2)29-22-19(21(25)26-14-27-22)17-12-28-31(13-17)10-11-34/h3-9,12-14,16,34H,10-11H2,1-2H3,(H3,25,26,27,29)/t16-/m0/s1
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Almirall, S.A.

US Patent


Assay Description
PI-3 Kinase HTRF kit (ref. #33-037) and the different PI3K recombinant isoforms (ref. #14-602, ref. #14-603, ref. #14-604, ref. #15-558 for Alpha, Be...


US Patent US9388189 (2016)


BindingDB Entry DOI: 10.7270/Q2K64H0P
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM236954
PNG
(US9388189, 104)
Show SMILES C[C@H](Nc1ncnc2[nH]cc(-c3cccc(Cl)c3O)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C27H22ClN7O2/c1-15-11-12-34-22(15)27(37)35(17-7-4-3-5-8-17)26(33-34)16(2)32-25-21-19(13-29-24(21)30-14-31-25)18-9-6-10-20(28)23(18)36/h3-14,16,36H,1-2H3,(H2,29,30,31,32)/t16-/m0/s1
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Almirall, S.A.

US Patent


Assay Description
PI-3 Kinase HTRF kit (ref. #33-037) and the different PI3K recombinant isoforms (ref. #14-602, ref. #14-603, ref. #14-604, ref. #15-558 for Alpha, Be...


US Patent US9388189 (2016)


BindingDB Entry DOI: 10.7270/Q2K64H0P
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM236986
PNG
(US9388189, 176)
Show SMILES C[C@H](Nc1ncnc2[nH]cc(-c3cc(NS(C)(=O)=O)cc(OS(C)(=O)=O)c3)c12)c1nn2cccc2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C28H26N8O6S2/c1-17(27-33-35-11-7-10-23(35)28(37)36(27)20-8-5-4-6-9-20)32-26-24-22(15-29-25(24)30-16-31-26)18-12-19(34-43(2,38)39)14-21(13-18)42-44(3,40)41/h4-17,34H,1-3H3,(H2,29,30,31,32)/t17-/m0/s1
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Almirall, S.A.

US Patent


Assay Description
PI-3 Kinase HTRF kit (ref. #33-037) and the different PI3K recombinant isoforms (ref. #14-602, ref. #14-603, ref. #14-604, ref. #15-558 for Alpha, Be...


US Patent US9388189 (2016)


BindingDB Entry DOI: 10.7270/Q2K64H0P
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM236976
PNG
(US9388189, 156)
Show SMILES C[C@H](Nc1ncnc(N)c1-c1cc(O)cc(c1)C(=O)N(C)C)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C28H28N8O3/c1-16-10-11-35-23(16)28(39)36(20-8-6-5-7-9-20)26(33-35)17(2)32-25-22(24(29)30-15-31-25)18-12-19(14-21(37)13-18)27(38)34(3)4/h5-15,17,37H,1-4H3,(H3,29,30,31,32)/t17-/m0/s1
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Almirall, S.A.

US Patent


Assay Description
PI-3 Kinase HTRF kit (ref. #33-037) and the different PI3K recombinant isoforms (ref. #14-602, ref. #14-603, ref. #14-604, ref. #15-558 for Alpha, Be...


US Patent US9388189 (2016)


BindingDB Entry DOI: 10.7270/Q2K64H0P
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM236940
PNG
(US9388189, 52)
Show SMILES C[C@H](Nc1ncnc2[nH]cc(-c3cccc4[nH]ncc34)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C28H23N9O/c1-16-11-12-36-24(16)28(38)37(18-7-4-3-5-8-18)27(35-36)17(2)33-26-23-21(13-29-25(23)30-15-31-26)19-9-6-10-22-20(19)14-32-34-22/h3-15,17H,1-2H3,(H,32,34)(H2,29,30,31,33)/t17-/m0/s1
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Almirall, S.A.

US Patent


Assay Description
PI-3 Kinase HTRF kit (ref. #33-037) and the different PI3K recombinant isoforms (ref. #14-602, ref. #14-603, ref. #14-604, ref. #15-558 for Alpha, Be...


US Patent US9388189 (2016)


BindingDB Entry DOI: 10.7270/Q2K64H0P
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM236972
PNG
(US9388189, 150)
Show SMILES C[C@H](Nc1ncnc2[nH]cc(-c3cc(O)cc(NS(=O)(=O)CCN(C)C)c3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C31H33N9O4S/c1-19-10-11-39-27(19)31(42)40(23-8-6-5-7-9-23)30(36-39)20(2)35-29-26-25(17-32-28(26)33-18-34-29)21-14-22(16-24(41)15-21)37-45(43,44)13-12-38(3)4/h5-11,14-18,20,37,41H,12-13H2,1-4H3,(H2,32,33,34,35)/t20-/m0/s1
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Almirall, S.A.

US Patent


Assay Description
PI-3 Kinase HTRF kit (ref. #33-037) and the different PI3K recombinant isoforms (ref. #14-602, ref. #14-603, ref. #14-604, ref. #15-558 for Alpha, Be...


US Patent US9388189 (2016)


BindingDB Entry DOI: 10.7270/Q2K64H0P
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM236931
PNG
(US9388189, 27)
Show SMILES C[C@H](Nc1ncnc2[nH]cc(-c3cc(O)cc(F)c3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C27H22FN7O2/c1-15-8-9-34-23(15)27(37)35(19-6-4-3-5-7-19)26(33-34)16(2)32-25-22-21(13-29-24(22)30-14-31-25)17-10-18(28)12-20(36)11-17/h3-14,16,36H,1-2H3,(H2,29,30,31,32)/t16-/m0/s1
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Almirall, S.A.

US Patent


Assay Description
PI-3 Kinase HTRF kit (ref. #33-037) and the different PI3K recombinant isoforms (ref. #14-602, ref. #14-603, ref. #14-604, ref. #15-558 for Alpha, Be...


US Patent US9388189 (2016)


BindingDB Entry DOI: 10.7270/Q2K64H0P
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM236964
PNG
(US9388189, 130)
Show SMILES C[C@H](Nc1ncnc(N)c1-c1cc(O)cc(NS(=O)(=O)c2ccc(F)cc2F)c1)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C31H26F2N8O4S/c1-17-10-11-40-27(17)31(43)41(22-6-4-3-5-7-22)30(38-40)18(2)37-29-26(28(34)35-16-36-29)19-12-21(15-23(42)13-19)39-46(44,45)25-9-8-20(32)14-24(25)33/h3-16,18,39,42H,1-2H3,(H3,34,35,36,37)/t18-/m0/s1
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Almirall, S.A.

US Patent


Assay Description
PI-3 Kinase HTRF kit (ref. #33-037) and the different PI3K recombinant isoforms (ref. #14-602, ref. #14-603, ref. #14-604, ref. #15-558 for Alpha, Be...


US Patent US9388189 (2016)


BindingDB Entry DOI: 10.7270/Q2K64H0P
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM236951
PNG
(US9388189, 91)
Show SMILES COc1ncc(cc1NS(=O)(=O)C(F)(F)F)-c1c(N)ncnc1N[C@@H](C)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C26H24F3N9O4S/c1-14-9-10-37-20(14)25(39)38(17-7-5-4-6-8-17)23(35-37)15(2)34-22-19(21(30)32-13-33-22)16-11-18(24(42-3)31-12-16)36-43(40,41)26(27,28)29/h4-13,15,36H,1-3H3,(H3,30,32,33,34)/t15-/m0/s1
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Almirall, S.A.

US Patent


Assay Description
PI-3 Kinase HTRF kit (ref. #33-037) and the different PI3K recombinant isoforms (ref. #14-602, ref. #14-603, ref. #14-604, ref. #15-558 for Alpha, Be...


US Patent US9388189 (2016)


BindingDB Entry DOI: 10.7270/Q2K64H0P
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM236928
PNG
(US9388189, 20)
Show SMILES Nc1ncnc(N[C@@H](CCOc2ccccc2)c2nn3cccc3c(=O)n2-c2ccccc2)c1C#N
Show InChI InChI=1S/C26H22N8O2/c27-16-20-23(28)29-17-30-24(20)31-21(13-15-36-19-10-5-2-6-11-19)25-32-33-14-7-12-22(33)26(35)34(25)18-8-3-1-4-9-18/h1-12,14,17,21H,13,15H2,(H3,28,29,30,31)/t21-/m0/s1
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Almirall, S.A.

US Patent


Assay Description
PI-3 Kinase HTRF kit (ref. #33-037) and the different PI3K recombinant isoforms (ref. #14-602, ref. #14-603, ref. #14-604, ref. #15-558 for Alpha, Be...


US Patent US9388189 (2016)


BindingDB Entry DOI: 10.7270/Q2K64H0P
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM236965
PNG
(US9388189, 132)
Show SMILES C[C@H](Nc1ncnc(N)c1-c1cncc(OCC(F)(F)F)c1)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C26H23F3N8O2/c1-15-8-9-36-21(15)25(38)37(18-6-4-3-5-7-18)24(35-36)16(2)34-23-20(22(30)32-14-33-23)17-10-19(12-31-11-17)39-13-26(27,28)29/h3-12,14,16H,13H2,1-2H3,(H3,30,32,33,34)/t16-/m0/s1
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Almirall, S.A.

US Patent


Assay Description
PI-3 Kinase HTRF kit (ref. #33-037) and the different PI3K recombinant isoforms (ref. #14-602, ref. #14-603, ref. #14-604, ref. #15-558 for Alpha, Be...


US Patent US9388189 (2016)


BindingDB Entry DOI: 10.7270/Q2K64H0P
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM236969
PNG
(US9388189, 144)
Show SMILES C[C@H](Nc1ncnc2[nH]cc(-c3ccn(CCN4CCOCC4)n3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C30H32N10O2/c1-20-8-11-39-26(20)30(41)40(22-6-4-3-5-7-22)29(36-39)21(2)34-28-25-23(18-31-27(25)32-19-33-28)24-9-10-38(35-24)13-12-37-14-16-42-17-15-37/h3-11,18-19,21H,12-17H2,1-2H3,(H2,31,32,33,34)/t21-/m0/s1
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Almirall, S.A.

US Patent


Assay Description
PI-3 Kinase HTRF kit (ref. #33-037) and the different PI3K recombinant isoforms (ref. #14-602, ref. #14-603, ref. #14-604, ref. #15-558 for Alpha, Be...


US Patent US9388189 (2016)


BindingDB Entry DOI: 10.7270/Q2K64H0P
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM236956
PNG
(US9388189, 107)
Show SMILES C[C@H](Nc1ncnc2[nH]cc(-c3cnn(CCN(C)C)c3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C28H30N10O/c1-18-10-11-37-24(18)28(39)38(21-8-6-5-7-9-21)27(34-37)19(2)33-26-23-22(15-29-25(23)30-17-31-26)20-14-32-36(16-20)13-12-35(3)4/h5-11,14-17,19H,12-13H2,1-4H3,(H2,29,30,31,33)/t19-/m0/s1
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Almirall, S.A.

US Patent


Assay Description
PI-3 Kinase HTRF kit (ref. #33-037) and the different PI3K recombinant isoforms (ref. #14-602, ref. #14-603, ref. #14-604, ref. #15-558 for Alpha, Be...


US Patent US9388189 (2016)


BindingDB Entry DOI: 10.7270/Q2K64H0P
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM236952
PNG
(US9388189, 97)
Show SMILES C[C@H](Nc1ncnc2[nH]cc(Sc3ccc(O)cc3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C27H23N7O2S/c1-16-12-13-33-23(16)27(36)34(18-6-4-3-5-7-18)26(32-33)17(2)31-25-22-21(14-28-24(22)29-15-30-25)37-20-10-8-19(35)9-11-20/h3-15,17,35H,1-2H3,(H2,28,29,30,31)/t17-/m0/s1
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Almirall, S.A.

US Patent


Assay Description
PI-3 Kinase HTRF kit (ref. #33-037) and the different PI3K recombinant isoforms (ref. #14-602, ref. #14-603, ref. #14-604, ref. #15-558 for Alpha, Be...


US Patent US9388189 (2016)


BindingDB Entry DOI: 10.7270/Q2K64H0P
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM236947
PNG
(US9388189, 81)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nn2ccc(Sc3ccc(O)c(F)c3)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C25H19FN8O2S/c1-14(31-23-17(12-27)22(28)29-13-30-23)24-32-33-10-9-20(37-16-7-8-19(35)18(26)11-16)21(33)25(36)34(24)15-5-3-2-4-6-15/h2-11,13-14,35H,1H3,(H3,28,29,30,31)/t14-/m0/s1
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Almirall, S.A.

US Patent


Assay Description
PI-3 Kinase HTRF kit (ref. #33-037) and the different PI3K recombinant isoforms (ref. #14-602, ref. #14-603, ref. #14-604, ref. #15-558 for Alpha, Be...


US Patent US9388189 (2016)


BindingDB Entry DOI: 10.7270/Q2K64H0P
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM236939
PNG
(US9388189, 45)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1c[nH]c2ncnc(N[C@@H](C)c3nn4ccc(C)c4c(=O)n3-c3ccccc3)c12
Show InChI InChI=1S/C28H27N9O4S/c1-16-10-11-36-23(16)28(38)37(19-8-6-5-7-9-19)26(34-36)17(2)33-25-22-20(14-29-24(22)31-15-32-25)18-12-21(35-42(4,39)40)27(41-3)30-13-18/h5-15,17,35H,1-4H3,(H2,29,31,32,33)/t17-/m0/s1
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Almirall, S.A.

US Patent


Assay Description
PI-3 Kinase HTRF kit (ref. #33-037) and the different PI3K recombinant isoforms (ref. #14-602, ref. #14-603, ref. #14-604, ref. #15-558 for Alpha, Be...


US Patent US9388189 (2016)


BindingDB Entry DOI: 10.7270/Q2K64H0P
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM236998
PNG
(US9388189, 239)
Show SMILES C[C@H](Nc1ncnc2[nH]cc(-c3ccc(NS(=O)(=O)N(C)C)cc3O)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C29H29N9O4S/c1-17-12-13-37-25(17)29(40)38(20-8-6-5-7-9-20)28(34-37)18(2)33-27-24-22(15-30-26(24)31-16-32-27)21-11-10-19(14-23(21)39)35-43(41,42)36(3)4/h5-16,18,35,39H,1-4H3,(H2,30,31,32,33)/t18-/m0/s1
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Almirall, S.A.

US Patent


Assay Description
PI-3 Kinase HTRF kit (ref. #33-037) and the different PI3K recombinant isoforms (ref. #14-602, ref. #14-603, ref. #14-604, ref. #15-558 for Alpha, Be...


US Patent US9388189 (2016)


BindingDB Entry DOI: 10.7270/Q2K64H0P
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM236982
PNG
(US9388189, 168)
Show SMILES C[C@H](Nc1ncnc(N)c1-c1cccc(c1)C(=O)Nc1cccc(O)c1)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C32H28N8O3/c1-19-14-15-39-27(19)32(43)40(24-11-4-3-5-12-24)30(38-39)20(2)36-29-26(28(33)34-18-35-29)21-8-6-9-22(16-21)31(42)37-23-10-7-13-25(41)17-23/h3-18,20,41H,1-2H3,(H,37,42)(H3,33,34,35,36)/t20-/m0/s1
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Almirall, S.A.

US Patent


Assay Description
PI-3 Kinase HTRF kit (ref. #33-037) and the different PI3K recombinant isoforms (ref. #14-602, ref. #14-603, ref. #14-604, ref. #15-558 for Alpha, Be...


US Patent US9388189 (2016)


BindingDB Entry DOI: 10.7270/Q2K64H0P
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM236993
PNG
(US9388189, 199)
Show SMILES COc1ccc(cc1)S(=O)(=O)n1ccc2ccc(cc12)-c1c(N)ncnc1N[C@@H](C)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C34H30N8O4S/c1-21-15-17-40-30(21)34(43)42(25-7-5-4-6-8-25)33(39-40)22(2)38-32-29(31(35)36-20-37-32)24-10-9-23-16-18-41(28(23)19-24)47(44,45)27-13-11-26(46-3)12-14-27/h4-20,22H,1-3H3,(H3,35,36,37,38)/t22-/m0/s1
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Almirall, S.A.

US Patent


Assay Description
PI-3 Kinase HTRF kit (ref. #33-037) and the different PI3K recombinant isoforms (ref. #14-602, ref. #14-603, ref. #14-604, ref. #15-558 for Alpha, Be...


US Patent US9388189 (2016)


BindingDB Entry DOI: 10.7270/Q2K64H0P
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM236935
PNG
(US9388189, 36)
Show SMILES C[C@H](Nc1ncnc(N)c1C(=O)Nc1cccc(O)c1)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C26H24N8O3/c1-15-11-12-33-21(15)26(37)34(18-8-4-3-5-9-18)24(32-33)16(2)30-23-20(22(27)28-14-29-23)25(36)31-17-7-6-10-19(35)13-17/h3-14,16,35H,1-2H3,(H,31,36)(H3,27,28,29,30)/t16-/m0/s1
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Almirall, S.A.

US Patent


Assay Description
PI-3 Kinase HTRF kit (ref. #33-037) and the different PI3K recombinant isoforms (ref. #14-602, ref. #14-603, ref. #14-604, ref. #15-558 for Alpha, Be...


US Patent US9388189 (2016)


BindingDB Entry DOI: 10.7270/Q2K64H0P
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM236983
PNG
(US9388189, 169)
Show SMILES Cc1ccn2nc(CNc3ncnc(N)c3-c3cncc(c3)C(F)F)n(-c3ccccc3)c(=O)c12
Show InChI InChI=1S/C24H20F2N8O/c1-14-7-8-33-20(14)24(35)34(17-5-3-2-4-6-17)18(32-33)12-29-23-19(22(27)30-13-31-23)15-9-16(21(25)26)11-28-10-15/h2-11,13,21H,12H2,1H3,(H3,27,29,30,31)
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Almirall, S.A.

US Patent


Assay Description
PI-3 Kinase HTRF kit (ref. #33-037) and the different PI3K recombinant isoforms (ref. #14-602, ref. #14-603, ref. #14-604, ref. #15-558 for Alpha, Be...


US Patent US9388189 (2016)


BindingDB Entry DOI: 10.7270/Q2K64H0P
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM236938
PNG
(US9388189, 43)
Show SMILES C[C@H](Nc1ncnc2[nH]cc(Cc3cccc(O)c3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C28H25N7O2/c1-17-11-12-34-24(17)28(37)35(21-8-4-3-5-9-21)27(33-34)18(2)32-26-23-20(15-29-25(23)30-16-31-26)13-19-7-6-10-22(36)14-19/h3-12,14-16,18,36H,13H2,1-2H3,(H2,29,30,31,32)/t18-/m0/s1
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Almirall, S.A.

US Patent


Assay Description
PI-3 Kinase HTRF kit (ref. #33-037) and the different PI3K recombinant isoforms (ref. #14-602, ref. #14-603, ref. #14-604, ref. #15-558 for Alpha, Be...


US Patent US9388189 (2016)


BindingDB Entry DOI: 10.7270/Q2K64H0P
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM236924
PNG
(US9388189, 15)
Show SMILES C[C@H](Nc1ncnc(N)c1-c1ccc2cc[nH]c2c1)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C27H24N8O/c1-16-11-13-34-23(16)27(36)35(20-6-4-3-5-7-20)26(33-34)17(2)32-25-22(24(28)30-15-31-25)19-9-8-18-10-12-29-21(18)14-19/h3-15,17,29H,1-2H3,(H3,28,30,31,32)/t17-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 3n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
PI-3 Kinase HTRF kit (ref. #33-037) and the different PI3K recombinant isoforms (ref. #14-602, ref. #14-603, ref. #14-604, ref. #15-558 for Alpha, Be...


US Patent US9388189 (2016)


BindingDB Entry DOI: 10.7270/Q2K64H0P
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM236953
PNG
(US9388189, 99)
Show SMILES C[C@H](Nc1ncnc(N)c1C(=O)Nc1cc(ccc1O)C(N)=O)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C27H25N9O4/c1-14-10-11-35-21(14)27(40)36(17-6-4-3-5-7-17)25(34-35)15(2)32-24-20(22(28)30-13-31-24)26(39)33-18-12-16(23(29)38)8-9-19(18)37/h3-13,15,37H,1-2H3,(H2,29,38)(H,33,39)(H3,28,30,31,32)/t15-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
PI-3 Kinase HTRF kit (ref. #33-037) and the different PI3K recombinant isoforms (ref. #14-602, ref. #14-603, ref. #14-604, ref. #15-558 for Alpha, Be...


US Patent US9388189 (2016)


BindingDB Entry DOI: 10.7270/Q2K64H0P
More data for this
Ligand-Target Pair
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