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Compile Data Set for Download or QSAR

Found 234 hits with Last Name = 'haasen' and Initial = 'd'   
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 alpha isoform


(Homo sapiens (Human))
BDBM50436459
PNG
(CHEMBL2396661)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(c1)C(C)(C)C(F)(F)F |r|
Show InChI InChI=1S/C19H22F3N5O2S/c1-10-14(11-6-7-24-13(9-11)18(2,3)19(20,21)22)30-16(25-10)26-17(29)27-8-4-5-12(27)15(23)28/h6-7,9,12H,4-5,8H2,1-3H3,(H2,23,28)(H,25,26,29)/t12-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin)


Bioorg Med Chem Lett 25: 3569-74 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.078
BindingDB Entry DOI: 10.7270/Q2W098XH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50203680
PNG
(CHEMBL3960012)
Show SMILES CCC(=O)N1CC[C@@H](C1)Oc1ncnc2ccc(cc12)-c1cnc(OC)c(c1)C#N |r|
Show InChI InChI=1S/C22H21N5O3/c1-3-20(28)27-7-6-17(12-27)30-22-18-9-14(4-5-19(18)25-13-26-22)16-8-15(10-23)21(29-2)24-11-16/h4-5,8-9,11,13,17H,3,6-7,12H2,1-2H3/t17-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3K-delta (unknown origin) by KinaseGlo assay


Bioorg Med Chem Lett 26: 5657-5662 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.069
BindingDB Entry DOI: 10.7270/Q20Z7574
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50436448
PNG
(CHEMBL2397186)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(n1)C(C)(C)C |r|
Show InChI InChI=1S/C18H24N6O2S/c1-10-13(11-7-8-20-15(22-11)18(2,3)4)27-16(21-10)23-17(26)24-9-5-6-12(24)14(19)25/h7-8,12H,5-6,9H2,1-4H3,(H2,19,25)(H,21,23,26)/t12-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin)


Bioorg Med Chem Lett 25: 3569-74 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.078
BindingDB Entry DOI: 10.7270/Q2W098XH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50203699
PNG
(CHEMBL3977066)
Show SMILES COc1ncc(cc1C#N)-c1ccc2ncnc(-c3cccc(c3)C(=O)N3CCN(CC3)C(C)=O)c2c1
Show InChI InChI=1S/C28H24N6O3/c1-18(35)33-8-10-34(11-9-33)28(36)21-5-3-4-20(12-21)26-24-14-19(6-7-25(24)31-17-32-26)23-13-22(15-29)27(37-2)30-16-23/h3-7,12-14,16-17H,8-11H2,1-2H3
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n/an/a 7n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3K-delta (unknown origin) by KinaseGlo assay


Bioorg Med Chem Lett 26: 5657-5662 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.069
BindingDB Entry DOI: 10.7270/Q20Z7574
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50203701
PNG
(CHEMBL3944013)
Show SMILES COc1ccc(cc1OC)-c1ccc2ncnc(-c3cccc(c3)C(=O)N3CCN(CC3)C(C)=O)c2c1
Show InChI InChI=1S/C29H28N4O4/c1-19(34)32-11-13-33(14-12-32)29(35)23-6-4-5-22(15-23)28-24-16-20(7-9-25(24)30-18-31-28)21-8-10-26(36-2)27(17-21)37-3/h4-10,15-18H,11-14H2,1-3H3
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n/an/a 9n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3K-delta (unknown origin) by KinaseGlo assay


Bioorg Med Chem Lett 26: 5657-5662 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.069
BindingDB Entry DOI: 10.7270/Q20Z7574
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50203696
PNG
(CHEMBL3896413)
Show SMILES CCC(=O)N1CC[C@@H](C1)Oc1ncnc2ccc(cc12)-c1ccc(OC)nc1 |r|
Show InChI InChI=1S/C21H22N4O3/c1-3-20(26)25-9-8-16(12-25)28-21-17-10-14(4-6-18(17)23-13-24-21)15-5-7-19(27-2)22-11-15/h4-7,10-11,13,16H,3,8-9,12H2,1-2H3/t16-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3K-delta (unknown origin) by KinaseGlo assay


Bioorg Med Chem Lett 26: 5657-5662 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.069
BindingDB Entry DOI: 10.7270/Q20Z7574
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50203698
PNG
(CHEMBL3930000)
Show SMILES COc1ccc(cc1OC)-c1ccc2ncnc(O[C@H]3CCN(C3)C(=O)OC(C)(C)C)c2c1 |r|
Show InChI InChI=1S/C25H29N3O5/c1-25(2,3)33-24(29)28-11-10-18(14-28)32-23-19-12-16(6-8-20(19)26-15-27-23)17-7-9-21(30-4)22(13-17)31-5/h6-9,12-13,15,18H,10-11,14H2,1-5H3/t18-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3K-delta (unknown origin) by KinaseGlo assay


Bioorg Med Chem Lett 26: 5657-5662 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.069
BindingDB Entry DOI: 10.7270/Q20Z7574
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50203678
PNG
(CHEMBL3905342)
Show SMILES CCC(=O)N1CC[C@@H](C1)Oc1ccnc2ccc(cc12)-c1ccc(OC)nc1 |r|
Show InChI InChI=1S/C22H23N3O3/c1-3-22(26)25-11-9-17(14-25)28-20-8-10-23-19-6-4-15(12-18(19)20)16-5-7-21(27-2)24-13-16/h4-8,10,12-13,17H,3,9,11,14H2,1-2H3/t17-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3K-delta (unknown origin) by KinaseGlo assay


Bioorg Med Chem Lett 26: 5657-5662 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.069
BindingDB Entry DOI: 10.7270/Q20Z7574
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50498545
PNG
(CHEMBL3608927)
Show SMILES C[C@@H]1CCN([C@@H]1C(N)=O)C(=O)Nc1nc(C)c(s1)-c1csc(n1)C1(CC1)C(F)(F)F |r|
Show InChI InChI=1S/C18H20F3N5O2S2/c1-8-3-6-26(11(8)13(22)27)16(28)25-15-23-9(2)12(30-15)10-7-29-14(24-10)17(4-5-17)18(19,20)21/h7-8,11H,3-6H2,1-2H3,(H2,22,27)(H,23,25,28)/t8-,11+/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin)


Bioorg Med Chem Lett 25: 3569-74 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.078
BindingDB Entry DOI: 10.7270/Q2W098XH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50498563
PNG
(CHEMBL3609540)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1csc(n1)C1(C)CC1 |r|
Show InChI InChI=1S/C17H21N5O2S2/c1-9-12(10-8-25-14(20-10)17(2)5-6-17)26-15(19-9)21-16(24)22-7-3-4-11(22)13(18)23/h8,11H,3-7H2,1-2H3,(H2,18,23)(H,19,21,24)/t11-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin)


Bioorg Med Chem Lett 25: 3569-74 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.078
BindingDB Entry DOI: 10.7270/Q2W098XH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50203685
PNG
(CHEMBL3966263)
Show SMILES CCC(=O)N1CC[C@H](C1)Oc1cnc2ccc(cc2n1)-c1ccc(OC)c(OC)c1 |r|
Show InChI InChI=1S/C23H25N3O4/c1-4-23(27)26-10-9-17(14-26)30-22-13-24-18-7-5-15(11-19(18)25-22)16-6-8-20(28-2)21(12-16)29-3/h5-8,11-13,17H,4,9-10,14H2,1-3H3/t17-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3K-delta (unknown origin) by KinaseGlo assay


Bioorg Med Chem Lett 26: 5657-5662 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.069
BindingDB Entry DOI: 10.7270/Q20Z7574
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50042922
PNG
(CHEMBL3218581)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1csc(n1)C(C)(C)C |r|
Show InChI InChI=1S/C17H23N5O2S2/c1-9-12(10-8-25-14(20-10)17(2,3)4)26-15(19-9)21-16(24)22-7-5-6-11(22)13(18)23/h8,11H,5-7H2,1-4H3,(H2,18,23)(H,19,21,24)/t11-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin)


Bioorg Med Chem Lett 25: 3569-74 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.078
BindingDB Entry DOI: 10.7270/Q2W098XH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50203697
PNG
(CHEMBL3969716)
Show SMILES COc1ccc(cc1OC)-c1ccc2ncnc(O[C@H]3CCN(C3)C(C)=O)c2c1 |r|
Show InChI InChI=1S/C22H23N3O4/c1-14(26)25-9-8-17(12-25)29-22-18-10-15(4-6-19(18)23-13-24-22)16-5-7-20(27-2)21(11-16)28-3/h4-7,10-11,13,17H,8-9,12H2,1-3H3/t17-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3K-delta (unknown origin) by KinaseGlo assay


Bioorg Med Chem Lett 26: 5657-5662 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.069
BindingDB Entry DOI: 10.7270/Q20Z7574
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50203682
PNG
(CHEMBL3947814)
Show SMILES COc1ccc(cn1)-c1ccc2ncnc(-c3cccc(c3)C(=O)N3CCN(CC3)C(C)=O)c2c1
Show InChI InChI=1S/C27H25N5O3/c1-18(33)31-10-12-32(13-11-31)27(34)21-5-3-4-20(14-21)26-23-15-19(6-8-24(23)29-17-30-26)22-7-9-25(35-2)28-16-22/h3-9,14-17H,10-13H2,1-2H3
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n/an/a 20n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3K-delta (unknown origin) by KinaseGlo assay


Bioorg Med Chem Lett 26: 5657-5662 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.069
BindingDB Entry DOI: 10.7270/Q20Z7574
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50498552
PNG
(CHEMBL3609536)
Show SMILES CC(C)c1nc(cs1)-c1sc(NC(=O)N2CCC[C@H]2C(N)=O)nc1C |r|
Show InChI InChI=1S/C16H21N5O2S2/c1-8(2)14-19-10(7-24-14)12-9(3)18-15(25-12)20-16(23)21-6-4-5-11(21)13(17)22/h7-8,11H,4-6H2,1-3H3,(H2,17,22)(H,18,20,23)/t11-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin)


Bioorg Med Chem Lett 25: 3569-74 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.078
BindingDB Entry DOI: 10.7270/Q2W098XH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50203677
PNG
(CHEMBL3977135)
Show SMILES CCC(=O)N1CC[C@@H](C1)Oc1ccnc2ccc(nc12)-c1ccc(OC)nc1 |r|
Show InChI InChI=1S/C21H22N4O3/c1-3-20(26)25-11-9-15(13-25)28-18-8-10-22-17-6-5-16(24-21(17)18)14-4-7-19(27-2)23-12-14/h4-8,10,12,15H,3,9,11,13H2,1-2H3/t15-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3K-delta (unknown origin) by KinaseGlo assay


Bioorg Med Chem Lett 26: 5657-5662 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.069
BindingDB Entry DOI: 10.7270/Q20Z7574
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50498560
PNG
(CHEMBL3608926)
Show SMILES C[C@H]1CCN([C@@H]1C(N)=O)C(=O)Nc1nc(C)c(s1)-c1csc(n1)C(C)(C)C |r|
Show InChI InChI=1S/C18H25N5O2S2/c1-9-6-7-23(12(9)14(19)24)17(25)22-16-20-10(2)13(27-16)11-8-26-15(21-11)18(3,4)5/h8-9,12H,6-7H2,1-5H3,(H2,19,24)(H,20,22,25)/t9-,12-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin)


Bioorg Med Chem Lett 25: 3569-74 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.078
BindingDB Entry DOI: 10.7270/Q2W098XH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50498554
PNG
(CHEMBL3608928)
Show SMILES Cc1nc(NC(=O)N2CC[C@H](O)[C@H]2C(N)=O)sc1-c1csc(n1)C(C)(C)C |r|
Show InChI InChI=1S/C17H23N5O3S2/c1-8-12(9-7-26-14(20-9)17(2,3)4)27-15(19-8)21-16(25)22-6-5-10(23)11(22)13(18)24/h7,10-11,23H,5-6H2,1-4H3,(H2,18,24)(H,19,21,25)/t10-,11-/m0/s1
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n/an/a 24n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin)


Bioorg Med Chem Lett 25: 3569-74 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.078
BindingDB Entry DOI: 10.7270/Q2W098XH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50498544
PNG
(CHEMBL3609545)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1csc(n1)C1(CC1)C(F)(F)F |r|
Show InChI InChI=1S/C17H18F3N5O2S2/c1-8-11(9-7-28-13(23-9)16(4-5-16)17(18,19)20)29-14(22-8)24-15(27)25-6-2-3-10(25)12(21)26/h7,10H,2-6H2,1H3,(H2,21,26)(H,22,24,27)/t10-/m0/s1
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n/an/a 26n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin)


Bioorg Med Chem Lett 25: 3569-74 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.078
BindingDB Entry DOI: 10.7270/Q2W098XH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50203682
PNG
(CHEMBL3947814)
Show SMILES COc1ccc(cn1)-c1ccc2ncnc(-c3cccc(c3)C(=O)N3CCN(CC3)C(C)=O)c2c1
Show InChI InChI=1S/C27H25N5O3/c1-18(33)31-10-12-32(13-11-31)27(34)21-5-3-4-20(14-21)26-23-15-19(6-8-24(23)29-17-30-26)22-7-9-25(35-2)28-16-22/h3-9,14-17H,10-13H2,1-2H3
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n/an/a 28n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of myristoylated PI3K-delta (unknown origin) overexpressed in Rat1 cells assessed as inhibition of Akt phosphorylation


Bioorg Med Chem Lett 26: 5657-5662 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.069
BindingDB Entry DOI: 10.7270/Q20Z7574
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50203696
PNG
(CHEMBL3896413)
Show SMILES CCC(=O)N1CC[C@@H](C1)Oc1ncnc2ccc(cc12)-c1ccc(OC)nc1 |r|
Show InChI InChI=1S/C21H22N4O3/c1-3-20(26)25-9-8-16(12-25)28-21-17-10-14(4-6-18(17)23-13-24-21)15-5-7-19(27-2)22-11-15/h4-7,10-11,13,16H,3,8-9,12H2,1-2H3/t16-/m0/s1
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n/an/a 28n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of myristoylated PI3K-delta (unknown origin) overexpressed in Rat1 cells assessed as inhibition of Akt phosphorylation


Bioorg Med Chem Lett 26: 5657-5662 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.069
BindingDB Entry DOI: 10.7270/Q20Z7574
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50498561
PNG
(CHEMBL3608924)
Show SMILES Cc1nc(NC(=O)N2CCC[C@@]2(C)C(N)=O)sc1-c1csc(n1)C(C)(C)C |r|
Show InChI InChI=1S/C18H25N5O2S2/c1-10-12(11-9-26-14(21-11)17(2,3)4)27-15(20-10)22-16(25)23-8-6-7-18(23,5)13(19)24/h9H,6-8H2,1-5H3,(H2,19,24)(H,20,22,25)/t18-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin)


Bioorg Med Chem Lett 25: 3569-74 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.078
BindingDB Entry DOI: 10.7270/Q2W098XH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50498555
PNG
(CHEMBL3609538)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1csc(n1)C1CCC1 |r|
Show InChI InChI=1S/C17H21N5O2S2/c1-9-13(11-8-25-15(20-11)10-4-2-5-10)26-16(19-9)21-17(24)22-7-3-6-12(22)14(18)23/h8,10,12H,2-7H2,1H3,(H2,18,23)(H,19,21,24)/t12-/m0/s1
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n/an/a 33n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin)


Bioorg Med Chem Lett 25: 3569-74 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.078
BindingDB Entry DOI: 10.7270/Q2W098XH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Mus musculus (Mouse))
BDBM50203701
PNG
(CHEMBL3944013)
Show SMILES COc1ccc(cc1OC)-c1ccc2ncnc(-c3cccc(c3)C(=O)N3CCN(CC3)C(C)=O)c2c1
Show InChI InChI=1S/C29H28N4O4/c1-19(34)32-11-13-33(14-12-32)29(35)23-6-4-5-22(15-23)28-24-16-20(7-9-25(24)30-18-31-28)21-8-10-26(36-2)27(17-21)37-3/h4-10,15-18H,11-14H2,1-3H3
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n/an/a 34n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3K-delta in mouse splenocytes assessed as inhibition anti-IgM induced CD86 expression


Bioorg Med Chem Lett 26: 5657-5662 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.069
BindingDB Entry DOI: 10.7270/Q20Z7574
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50498553
PNG
(CHEMBL3609543)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1csc(n1)-c1ccccc1F |r|
Show InChI InChI=1S/C19H18FN5O2S2/c1-10-15(13-9-28-17(23-13)11-5-2-3-6-12(11)20)29-18(22-10)24-19(27)25-8-4-7-14(25)16(21)26/h2-3,5-6,9,14H,4,7-8H2,1H3,(H2,21,26)(H,22,24,27)/t14-/m0/s1
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n/an/a 39n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin)


Bioorg Med Chem Lett 25: 3569-74 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.078
BindingDB Entry DOI: 10.7270/Q2W098XH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50498557
PNG
(CHEMBL3608930)
Show SMILES Cc1nc(NC(=O)N2C[C@H](F)C[C@H]2C(N)=O)sc1-c1csc(n1)C(C)(C)C |r|
Show InChI InChI=1S/C17H22FN5O2S2/c1-8-12(10-7-26-14(21-10)17(2,3)4)27-15(20-8)22-16(25)23-6-9(18)5-11(23)13(19)24/h7,9,11H,5-6H2,1-4H3,(H2,19,24)(H,20,22,25)/t9-,11+/m1/s1
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n/an/a 39n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin)


Bioorg Med Chem Lett 25: 3569-74 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.078
BindingDB Entry DOI: 10.7270/Q2W098XH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50203701
PNG
(CHEMBL3944013)
Show SMILES COc1ccc(cc1OC)-c1ccc2ncnc(-c3cccc(c3)C(=O)N3CCN(CC3)C(C)=O)c2c1
Show InChI InChI=1S/C29H28N4O4/c1-19(34)32-11-13-33(14-12-32)29(35)23-6-4-5-22(15-23)28-24-16-20(7-9-25(24)30-18-31-28)21-8-10-26(36-2)27(17-21)37-3/h4-10,15-18H,11-14H2,1-3H3
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n/an/a 39n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of myristoylated PI3K-delta (unknown origin) overexpressed in Rat1 cells assessed as inhibition of Akt phosphorylation


Bioorg Med Chem Lett 26: 5657-5662 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.069
BindingDB Entry DOI: 10.7270/Q20Z7574
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50498550
PNG
(CHEMBL3608929)
Show SMILES Cc1nc(NC(=O)N2CC[C@@H](O)[C@H]2C(N)=O)sc1-c1csc(n1)C1(CC1)C(F)(F)F |r|
Show InChI InChI=1S/C17H18F3N5O3S2/c1-7-11(8-6-29-13(23-8)16(3-4-16)17(18,19)20)30-14(22-7)24-15(28)25-5-2-9(26)10(25)12(21)27/h6,9-10,26H,2-5H2,1H3,(H2,21,27)(H,22,24,28)/t9-,10+/m1/s1
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n/an/a 43n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin)


Bioorg Med Chem Lett 25: 3569-74 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.078
BindingDB Entry DOI: 10.7270/Q2W098XH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50498551
PNG
(CHEMBL3609542)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1csc(n1)-c1cccnc1 |r|
Show InChI InChI=1S/C18H18N6O2S2/c1-10-14(12-9-27-16(22-12)11-4-2-6-20-8-11)28-17(21-10)23-18(26)24-7-3-5-13(24)15(19)25/h2,4,6,8-9,13H,3,5,7H2,1H3,(H2,19,25)(H,21,23,26)/t13-/m0/s1
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n/an/a 44n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin)


Bioorg Med Chem Lett 25: 3569-74 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.078
BindingDB Entry DOI: 10.7270/Q2W098XH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50203698
PNG
(CHEMBL3930000)
Show SMILES COc1ccc(cc1OC)-c1ccc2ncnc(O[C@H]3CCN(C3)C(=O)OC(C)(C)C)c2c1 |r|
Show InChI InChI=1S/C25H29N3O5/c1-25(2,3)33-24(29)28-11-10-18(14-28)32-23-19-12-16(6-8-20(19)26-15-27-23)17-7-9-21(30-4)22(13-17)31-5/h6-9,12-13,15,18H,10-11,14H2,1-5H3/t18-/m0/s1
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n/an/a 44n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of myristoylated PI3K-delta (unknown origin) overexpressed in Rat1 cells assessed as inhibition of Akt phosphorylation


Bioorg Med Chem Lett 26: 5657-5662 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.069
BindingDB Entry DOI: 10.7270/Q20Z7574
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50203699
PNG
(CHEMBL3977066)
Show SMILES COc1ncc(cc1C#N)-c1ccc2ncnc(-c3cccc(c3)C(=O)N3CCN(CC3)C(C)=O)c2c1
Show InChI InChI=1S/C28H24N6O3/c1-18(35)33-8-10-34(11-9-33)28(36)21-5-3-4-20(12-21)26-24-14-19(6-7-25(24)31-17-32-26)23-13-22(15-29)27(37-2)30-16-23/h3-7,12-14,16-17H,8-11H2,1-2H3
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n/an/a 49n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of myristoylated PI3K-delta (unknown origin) overexpressed in Rat1 cells assessed as inhibition of Akt phosphorylation


Bioorg Med Chem Lett 26: 5657-5662 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.069
BindingDB Entry DOI: 10.7270/Q20Z7574
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Mus musculus (Mouse))
BDBM50203682
PNG
(CHEMBL3947814)
Show SMILES COc1ccc(cn1)-c1ccc2ncnc(-c3cccc(c3)C(=O)N3CCN(CC3)C(C)=O)c2c1
Show InChI InChI=1S/C27H25N5O3/c1-18(33)31-10-12-32(13-11-31)27(34)21-5-3-4-20(14-21)26-23-15-19(6-8-24(23)29-17-30-26)22-7-9-25(35-2)28-16-22/h3-9,14-17H,10-13H2,1-2H3
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n/an/a 70n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3K-delta in mouse splenocytes assessed as inhibition anti-IgM induced CD86 expression


Bioorg Med Chem Lett 26: 5657-5662 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.069
BindingDB Entry DOI: 10.7270/Q20Z7574
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50498565
PNG
(CHEMBL3609537)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1csc(CC2CC2)n1 |r|
Show InChI InChI=1S/C17H21N5O2S2/c1-9-14(11-8-25-13(20-11)7-10-4-5-10)26-16(19-9)21-17(24)22-6-2-3-12(22)15(18)23/h8,10,12H,2-7H2,1H3,(H2,18,23)(H,19,21,24)/t12-/m0/s1
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n/an/a 70n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin)


Bioorg Med Chem Lett 25: 3569-74 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.078
BindingDB Entry DOI: 10.7270/Q2W098XH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50498547
PNG
(CHEMBL3608931)
Show SMILES Cc1nc(NC(=O)N2C[C@H](O)C[C@H]2C(N)=O)sc1-c1csc(n1)C(C)(C)C |r|
Show InChI InChI=1S/C17H23N5O3S2/c1-8-12(10-7-26-14(20-10)17(2,3)4)27-15(19-8)21-16(25)22-6-9(23)5-11(22)13(18)24/h7,9,11,23H,5-6H2,1-4H3,(H2,18,24)(H,19,21,25)/t9-,11+/m1/s1
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n/an/a 71n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin)


Bioorg Med Chem Lett 25: 3569-74 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.078
BindingDB Entry DOI: 10.7270/Q2W098XH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50203685
PNG
(CHEMBL3966263)
Show SMILES CCC(=O)N1CC[C@H](C1)Oc1cnc2ccc(cc2n1)-c1ccc(OC)c(OC)c1 |r|
Show InChI InChI=1S/C23H25N3O4/c1-4-23(27)26-10-9-17(14-26)30-22-13-24-18-7-5-15(11-19(18)25-22)16-6-8-20(28-2)21(12-16)29-3/h5-8,11-13,17H,4,9-10,14H2,1-3H3/t17-/m1/s1
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n/an/a 72n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of myristoylated PI3K-delta (unknown origin) overexpressed in Rat1 cells assessed as inhibition of Akt phosphorylation


Bioorg Med Chem Lett 26: 5657-5662 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.069
BindingDB Entry DOI: 10.7270/Q20Z7574
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Mus musculus (Mouse))
BDBM50203699
PNG
(CHEMBL3977066)
Show SMILES COc1ncc(cc1C#N)-c1ccc2ncnc(-c3cccc(c3)C(=O)N3CCN(CC3)C(C)=O)c2c1
Show InChI InChI=1S/C28H24N6O3/c1-18(35)33-8-10-34(11-9-33)28(36)21-5-3-4-20(12-21)26-24-14-19(6-7-25(24)31-17-32-26)23-13-22(15-29)27(37-2)30-16-23/h3-7,12-14,16-17H,8-11H2,1-2H3
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n/an/a 74n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3K-delta in mouse splenocytes assessed as inhibition anti-IgM induced CD86 expression


Bioorg Med Chem Lett 26: 5657-5662 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.069
BindingDB Entry DOI: 10.7270/Q20Z7574
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50203680
PNG
(CHEMBL3960012)
Show SMILES CCC(=O)N1CC[C@@H](C1)Oc1ncnc2ccc(cc12)-c1cnc(OC)c(c1)C#N |r|
Show InChI InChI=1S/C22H21N5O3/c1-3-20(28)27-7-6-17(12-27)30-22-18-9-14(4-5-19(18)25-13-26-22)16-8-15(10-23)21(29-2)24-11-16/h4-5,8-9,11,13,17H,3,6-7,12H2,1-2H3/t17-/m0/s1
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n/an/a 79n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of myristoylated PI3K-delta (unknown origin) overexpressed in Rat1 cells assessed as inhibition of Akt phosphorylation


Bioorg Med Chem Lett 26: 5657-5662 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.069
BindingDB Entry DOI: 10.7270/Q20Z7574
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50203697
PNG
(CHEMBL3969716)
Show SMILES COc1ccc(cc1OC)-c1ccc2ncnc(O[C@H]3CCN(C3)C(C)=O)c2c1 |r|
Show InChI InChI=1S/C22H23N3O4/c1-14(26)25-9-8-17(12-25)29-22-18-10-15(4-6-19(18)23-13-24-22)16-5-7-20(27-2)21(11-16)28-3/h4-7,10-11,13,17H,8-9,12H2,1-3H3/t17-/m0/s1
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n/an/a 82n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of myristoylated PI3K-delta (unknown origin) overexpressed in Rat1 cells assessed as inhibition of Akt phosphorylation


Bioorg Med Chem Lett 26: 5657-5662 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.069
BindingDB Entry DOI: 10.7270/Q20Z7574
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Mus musculus (Mouse))
BDBM50203696
PNG
(CHEMBL3896413)
Show SMILES CCC(=O)N1CC[C@@H](C1)Oc1ncnc2ccc(cc12)-c1ccc(OC)nc1 |r|
Show InChI InChI=1S/C21H22N4O3/c1-3-20(26)25-9-8-16(12-25)28-21-17-10-14(4-6-18(17)23-13-24-21)15-5-7-19(27-2)22-11-15/h4-7,10-11,13,16H,3,8-9,12H2,1-2H3/t16-/m0/s1
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n/an/a 82n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3K-delta in mouse splenocytes assessed as inhibition anti-IgM induced CD86 expression


Bioorg Med Chem Lett 26: 5657-5662 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.069
BindingDB Entry DOI: 10.7270/Q20Z7574
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50498556
PNG
(CHEMBL3608932)
Show SMILES Cc1nc(NC(=O)N2C[C@@H](O)C[C@H]2C(N)=O)sc1-c1csc(n1)C(C)(C)C |r|
Show InChI InChI=1S/C17H23N5O3S2/c1-8-12(10-7-26-14(20-10)17(2,3)4)27-15(19-8)21-16(25)22-6-9(23)5-11(22)13(18)24/h7,9,11,23H,5-6H2,1-4H3,(H2,18,24)(H,19,21,25)/t9-,11-/m0/s1
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n/an/a 84n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin)


Bioorg Med Chem Lett 25: 3569-74 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.078
BindingDB Entry DOI: 10.7270/Q2W098XH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Mus musculus (Mouse))
BDBM50203685
PNG
(CHEMBL3966263)
Show SMILES CCC(=O)N1CC[C@H](C1)Oc1cnc2ccc(cc2n1)-c1ccc(OC)c(OC)c1 |r|
Show InChI InChI=1S/C23H25N3O4/c1-4-23(27)26-10-9-17(14-26)30-22-13-24-18-7-5-15(11-19(18)25-22)16-6-8-20(28-2)21(12-16)29-3/h5-8,11-13,17H,4,9-10,14H2,1-3H3/t17-/m1/s1
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n/an/a 85n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3K-delta in mouse splenocytes assessed as inhibition anti-IgM induced CD86 expression


Bioorg Med Chem Lett 26: 5657-5662 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.069
BindingDB Entry DOI: 10.7270/Q20Z7574
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50498564
PNG
(CHEMBL3609539)
Show SMILES CCC(CC)c1nc(cs1)-c1sc(NC(=O)N2CCC[C@H]2C(N)=O)nc1C |r|
Show InChI InChI=1S/C18H25N5O2S2/c1-4-11(5-2)16-21-12(9-26-16)14-10(3)20-17(27-14)22-18(25)23-8-6-7-13(23)15(19)24/h9,11,13H,4-8H2,1-3H3,(H2,19,24)(H,20,22,25)/t13-/m0/s1
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n/an/a 88n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin)


Bioorg Med Chem Lett 25: 3569-74 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.078
BindingDB Entry DOI: 10.7270/Q2W098XH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50498566
PNG
(CHEMBL3608925)
Show SMILES Cc1nc(NC(=O)N2CCC[C@@]2(C)C(N)=O)sc1-c1csc(n1)C1(CC1)C(F)(F)F |r|
Show InChI InChI=1S/C18H20F3N5O2S2/c1-9-11(10-8-29-13(24-10)17(5-6-17)18(19,20)21)30-14(23-9)25-15(28)26-7-3-4-16(26,2)12(22)27/h8H,3-7H2,1-2H3,(H2,22,27)(H,23,25,28)/t16-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin)


Bioorg Med Chem Lett 25: 3569-74 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.078
BindingDB Entry DOI: 10.7270/Q2W098XH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50203679
PNG
(CHEMBL3948901)
Show SMILES COc1ccc(cc1OC)-c1ccc2ncnc(O[C@@H]3CCN(C)C3)c2c1 |r|
Show InChI InChI=1S/C21H23N3O3/c1-24-9-8-16(12-24)27-21-17-10-14(4-6-18(17)22-13-23-21)15-5-7-19(25-2)20(11-15)26-3/h4-7,10-11,13,16H,8-9,12H2,1-3H3/t16-/m1/s1
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n/an/a 110n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3K-delta (unknown origin) by KinaseGlo assay


Bioorg Med Chem Lett 26: 5657-5662 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.069
BindingDB Entry DOI: 10.7270/Q20Z7574
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50203697
PNG
(CHEMBL3969716)
Show SMILES COc1ccc(cc1OC)-c1ccc2ncnc(O[C@H]3CCN(C3)C(C)=O)c2c1 |r|
Show InChI InChI=1S/C22H23N3O4/c1-14(26)25-9-8-17(12-25)29-22-18-10-15(4-6-19(18)23-13-24-22)16-5-7-20(27-2)21(11-16)28-3/h4-7,10-11,13,17H,8-9,12H2,1-3H3/t17-/m0/s1
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n/an/a 126n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3K-alpha (unknown origin) by KinaseGlo assay


Bioorg Med Chem Lett 26: 5657-5662 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.069
BindingDB Entry DOI: 10.7270/Q20Z7574
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50203701
PNG
(CHEMBL3944013)
Show SMILES COc1ccc(cc1OC)-c1ccc2ncnc(-c3cccc(c3)C(=O)N3CCN(CC3)C(C)=O)c2c1
Show InChI InChI=1S/C29H28N4O4/c1-19(34)32-11-13-33(14-12-32)29(35)23-6-4-5-22(15-23)28-24-16-20(7-9-25(24)30-18-31-28)21-8-10-26(36-2)27(17-21)37-3/h4-10,15-18H,11-14H2,1-3H3
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n/an/a 127n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3K-alpha (unknown origin) by KinaseGlo assay


Bioorg Med Chem Lett 26: 5657-5662 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.069
BindingDB Entry DOI: 10.7270/Q20Z7574
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50203700
PNG
(CHEMBL3921081)
Show SMILES COc1ccc(cc1OC)-c1ccc2ncnc(O[C@H]3CCN(C)C3)c2c1 |r|
Show InChI InChI=1S/C21H23N3O3/c1-24-9-8-16(12-24)27-21-17-10-14(4-6-18(17)22-13-23-21)15-5-7-19(25-2)20(11-15)26-3/h4-7,10-11,13,16H,8-9,12H2,1-3H3/t16-/m0/s1
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n/an/a 130n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3K-delta (unknown origin) by KinaseGlo assay


Bioorg Med Chem Lett 26: 5657-5662 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.069
BindingDB Entry DOI: 10.7270/Q20Z7574
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50203681
PNG
(CHEMBL3914282)
Show SMILES COc1ccc(cc1OC)-c1ccc2ncnc(O[C@@H]3CCN(C3)C(C)=O)c2c1 |r|
Show InChI InChI=1S/C22H23N3O4/c1-14(26)25-9-8-17(12-25)29-22-18-10-15(4-6-19(18)23-13-24-22)16-5-7-20(27-2)21(11-16)28-3/h4-7,10-11,13,17H,8-9,12H2,1-3H3/t17-/m1/s1
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n/an/a 146n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3K-delta (unknown origin) by KinaseGlo assay


Bioorg Med Chem Lett 26: 5657-5662 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.069
BindingDB Entry DOI: 10.7270/Q20Z7574
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50203698
PNG
(CHEMBL3930000)
Show SMILES COc1ccc(cc1OC)-c1ccc2ncnc(O[C@H]3CCN(C3)C(=O)OC(C)(C)C)c2c1 |r|
Show InChI InChI=1S/C25H29N3O5/c1-25(2,3)33-24(29)28-11-10-18(14-28)32-23-19-12-16(6-8-20(19)26-15-27-23)17-7-9-21(30-4)22(13-17)31-5/h6-9,12-13,15,18H,10-11,14H2,1-5H3/t18-/m0/s1
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n/an/a 148n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3K-alpha (unknown origin) by KinaseGlo assay


Bioorg Med Chem Lett 26: 5657-5662 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.069
BindingDB Entry DOI: 10.7270/Q20Z7574
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Mus musculus (Mouse))
BDBM50203678
PNG
(CHEMBL3905342)
Show SMILES CCC(=O)N1CC[C@@H](C1)Oc1ccnc2ccc(cc12)-c1ccc(OC)nc1 |r|
Show InChI InChI=1S/C22H23N3O3/c1-3-22(26)25-11-9-17(14-25)28-20-8-10-23-19-6-4-15(12-18(19)20)16-5-7-21(27-2)24-13-16/h4-8,10,12-13,17H,3,9,11,14H2,1-2H3/t17-/m0/s1
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n/an/a 155n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3K-delta in mouse splenocytes assessed as inhibition anti-IgM induced CD86 expression


Bioorg Med Chem Lett 26: 5657-5662 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.069
BindingDB Entry DOI: 10.7270/Q20Z7574
More data for this
Ligand-Target Pair
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