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PubMed code 22863202

Compile data set for download or QSAR
Found 94 hits of Enzyme Inhibition Constant Data   
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
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM50390424
PNG
(CHEMBL2071340)
Show SMILES Cc1cc(NC(=O)CCNC(=O)Nc2nc(C)c(s2)-c2ccc(c(F)c2)S(C)(=O)=O)no1
Show InChI InChI=1S/C19H20FN5O5S2/c1-10-8-15(25-30-10)23-16(26)6-7-21-18(27)24-19-22-11(2)17(31-19)12-4-5-14(13(20)9-12)32(3,28)29/h4-5,8-9H,6-7H2,1-3H3,(H,23,25,26)(H2,21,22,24,27)
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3n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PI3K p110delta using [32P]ATP after 60 mins by scintillation proximity assay


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM50390409
PNG
(CHEMBL1986603)
Show SMILES Cc1cc(NC(=O)CCNC(=O)Nc2nc(C)c(s2)-c2ccc(cc2)-n2cccn2)no1
Show InChI InChI=1S/C21H21N7O3S/c1-13-12-17(27-31-13)25-18(29)8-10-22-20(30)26-21-24-14(2)19(32-21)15-4-6-16(7-5-15)28-11-3-9-23-28/h3-7,9,11-12H,8,10H2,1-2H3,(H,25,27,29)(H2,22,24,26,30)
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4n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PI3K p110delta using [32P]ATP after 60 mins by scintillation proximity assay


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50390408
PNG
(CHEMBL2071338)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccc(cc1)-n1cccn1
Show InChI InChI=1S/C19H20N6O2S/c1-12-16(13-5-7-14(8-6-13)25-11-3-9-21-25)28-18(22-12)23-19(27)24-10-2-4-15(24)17(20)26/h3,5-9,11,15H,2,4,10H2,1H3,(H2,20,26)(H,22,23,27)/t15-/m0/s1
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5n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PI3K p110alpha by KinaseGlo assay


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50390426
PNG
(CHEMBL2071329)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1ccc(c(Br)c1)S(C)(=O)=O
Show InChI InChI=1S/C13H13BrN2O3S2/c1-7-12(20-13(15-7)16-8(2)17)9-4-5-11(10(14)6-9)21(3,18)19/h4-6H,1-3H3,(H,15,16,17)
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11n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PI3K p110alpha by KinaseGlo assay


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM50390419
PNG
(CHEMBL2071333)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1ccc(cc1)-n1cccn1
Show InChI InChI=1S/C15H14N4OS/c1-10-14(21-15(17-10)18-11(2)20)12-4-6-13(7-5-12)19-9-3-8-16-19/h3-9H,1-2H3,(H,17,18,20)
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19n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PI3K p110delta using [32P]ATP after 60 mins by scintillation proximity assay


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM50390425
PNG
(CHEMBL2071341)
Show SMILES Cc1nc(NC(=O)NCCC(=O)OC(C)(C)C)sc1-c1ccc(c(F)c1)S(C)(=O)=O
Show InChI InChI=1S/C19H24FN3O5S2/c1-11-16(12-6-7-14(13(20)10-12)30(5,26)27)29-18(22-11)23-17(25)21-9-8-15(24)28-19(2,3)4/h6-7,10H,8-9H2,1-5H3,(H2,21,22,23,25)
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20n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PI3K p110gamma using [32P]ATP after 60 mins by scintillation proximity assay


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50390423
PNG
(CHEMBL2071337)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccc(c(c1)C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C18H19F3N4O4S2/c1-9-14(10-5-6-13(31(2,28)29)11(8-10)18(19,20)21)30-16(23-9)24-17(27)25-7-3-4-12(25)15(22)26/h5-6,8,12H,3-4,7H2,1-2H3,(H2,22,26)(H,23,24,27)/t12-/m0/s1
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20n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PI3K p110alpha by KinaseGlo assay


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50390418
PNG
(CHEMBL2071332)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1ccc(c(c1)C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C14H13F3N2O3S2/c1-7-12(23-13(18-7)19-8(2)20)9-4-5-11(24(3,21)22)10(6-9)14(15,16)17/h4-6H,1-3H3,(H,18,19,20)
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28n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PI3K p110alpha by KinaseGlo assay


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50390419
PNG
(CHEMBL2071333)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1ccc(cc1)-n1cccn1
Show InChI InChI=1S/C15H14N4OS/c1-10-14(21-15(17-10)18-11(2)20)12-4-6-13(7-5-12)19-9-3-8-16-19/h3-9H,1-2H3,(H,17,18,20)
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30n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PI3K p110alpha by KinaseGlo assay


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM50390426
PNG
(CHEMBL2071329)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1ccc(c(Br)c1)S(C)(=O)=O
Show InChI InChI=1S/C13H13BrN2O3S2/c1-7-12(20-13(15-7)16-8(2)17)9-4-5-11(10(14)6-9)21(3,18)19/h4-6H,1-3H3,(H,15,16,17)
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32n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PI3K p110gamma using [32P]ATP after 60 mins by scintillation proximity assay


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50390415
PNG
(CHEMBL2071328)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1ccc(c(Cl)c1)S(C)(=O)=O
Show InChI InChI=1S/C13H13ClN2O3S2/c1-7-12(20-13(15-7)16-8(2)17)9-4-5-11(10(14)6-9)21(3,18)19/h4-6H,1-3H3,(H,15,16,17)
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35n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PI3K p110alpha by KinaseGlo assay


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM50390411
PNG
(CHEMBL2071342)
Show SMILES CCn1nnc(CCNC(=O)Nc2nc(C)c(s2)-c2ccc(c(F)c2)S(C)(=O)=O)n1
Show InChI InChI=1S/C17H20FN7O3S2/c1-4-25-23-14(22-24-25)7-8-19-16(26)21-17-20-10(2)15(29-17)11-5-6-13(12(18)9-11)30(3,27)28/h5-6,9H,4,7-8H2,1-3H3,(H2,19,20,21,26)
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36n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PI3K p110gamma using [32P]ATP after 60 mins by scintillation proximity assay


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50390417
PNG
(CHEMBL2071331)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1ccc(c(c1)C#N)S(C)(=O)=O
Show InChI InChI=1S/C14H13N3O3S2/c1-8-13(21-14(16-8)17-9(2)18)10-4-5-12(22(3,19)20)11(6-10)7-15/h4-6H,1-3H3,(H,16,17,18)
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45n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PI3K p110alpha by KinaseGlo assay


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50390422
PNG
(CHEMBL2071336)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccc(c(F)c1)S(C)(=O)=O
Show InChI InChI=1S/C17H19FN4O4S2/c1-9-14(10-5-6-13(11(18)8-10)28(2,25)26)27-16(20-9)21-17(24)22-7-3-4-12(22)15(19)23/h5-6,8,12H,3-4,7H2,1-2H3,(H2,19,23)(H,20,21,24)/t12-/m0/s1
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50n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PI3K p110alpha by KinaseGlo assay


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM50390415
PNG
(CHEMBL2071328)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1ccc(c(Cl)c1)S(C)(=O)=O
Show InChI InChI=1S/C13H13ClN2O3S2/c1-7-12(20-13(15-7)16-8(2)17)9-4-5-11(10(14)6-9)21(3,18)19/h4-6H,1-3H3,(H,15,16,17)
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57n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PI3K p110gamma using [32P]ATP after 60 mins by scintillation proximity assay


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM50390418
PNG
(CHEMBL2071332)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1ccc(c(c1)C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C14H13F3N2O3S2/c1-7-12(23-13(18-7)19-8(2)20)9-4-5-11(24(3,21)22)10(6-9)14(15,16)17/h4-6H,1-3H3,(H,18,19,20)
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61n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PI3K p110gamma using [32P]ATP after 60 mins by scintillation proximity assay


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM50390426
PNG
(CHEMBL2071329)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1ccc(c(Br)c1)S(C)(=O)=O
Show InChI InChI=1S/C13H13BrN2O3S2/c1-7-12(20-13(15-7)16-8(2)17)9-4-5-11(10(14)6-9)21(3,18)19/h4-6H,1-3H3,(H,15,16,17)
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61n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PI3K p110delta using [32P]ATP after 60 mins by scintillation proximity assay


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM50390417
PNG
(CHEMBL2071331)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1ccc(c(c1)C#N)S(C)(=O)=O
Show InChI InChI=1S/C14H13N3O3S2/c1-8-13(21-14(16-8)17-9(2)18)10-4-5-12(22(3,19)20)11(6-10)7-15/h4-6H,1-3H3,(H,16,17,18)
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62n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PI3K p110gamma using [32P]ATP after 60 mins by scintillation proximity assay


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM50390418
PNG
(CHEMBL2071332)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1ccc(c(c1)C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C14H13F3N2O3S2/c1-7-12(23-13(18-7)19-8(2)20)9-4-5-11(24(3,21)22)10(6-9)14(15,16)17/h4-6H,1-3H3,(H,18,19,20)
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74n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PI3K p110delta using [32P]ATP after 60 mins by scintillation proximity assay


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM50390417
PNG
(CHEMBL2071331)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1ccc(c(c1)C#N)S(C)(=O)=O
Show InChI InChI=1S/C14H13N3O3S2/c1-8-13(21-14(16-8)17-9(2)18)10-4-5-12(22(3,19)20)11(6-10)7-15/h4-6H,1-3H3,(H,16,17,18)
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79n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PI3K p110delta using [32P]ATP after 60 mins by scintillation proximity assay


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM50390415
PNG
(CHEMBL2071328)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1ccc(c(Cl)c1)S(C)(=O)=O
Show InChI InChI=1S/C13H13ClN2O3S2/c1-7-12(20-13(15-7)16-8(2)17)9-4-5-11(10(14)6-9)21(3,18)19/h4-6H,1-3H3,(H,15,16,17)
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79n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PI3K p110delta using [32P]ATP after 60 mins by scintillation proximity assay


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM50390410
PNG
(CHEMBL2069328)
Show SMILES CC(=O)c1ccc(cc1)-c1sc(NC(=O)NCCC(=O)NC(C)(C)C)nc1C
Show InChI InChI=1S/C20H26N4O3S/c1-12-17(15-8-6-14(7-9-15)13(2)25)28-19(22-12)23-18(27)21-11-10-16(26)24-20(3,4)5/h6-9H,10-11H2,1-5H3,(H,24,26)(H2,21,22,23,27)
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88n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PI3K p110gamma using [32P]ATP after 60 mins by scintillation proximity assay


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (human))
BDBM50390425
PNG
(CHEMBL2071341)
Show SMILES Cc1nc(NC(=O)NCCC(=O)OC(C)(C)C)sc1-c1ccc(c(F)c1)S(C)(=O)=O
Show InChI InChI=1S/C19H24FN3O5S2/c1-11-16(12-6-7-14(13(20)10-12)30(5,26)27)29-18(22-11)23-17(25)21-9-8-15(24)28-19(2,3)4/h6-7,10H,8-9H2,1-5H3,(H2,21,22,23,25)
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90n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PI3K p110beta using [32P]ATP after 60 mins by scintillation proximity assay


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50390413
PNG
(CHEMBL2071326)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C12H13N3O3S2/c1-7-11(19-12(14-7)15-8(2)16)9-3-5-10(6-4-9)20(13,17)18/h3-6H,1-2H3,(H2,13,17,18)(H,14,15,16)
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110n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PI3K p110alpha by KinaseGlo assay


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM50390413
PNG
(CHEMBL2071326)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C12H13N3O3S2/c1-7-11(19-12(14-7)15-8(2)16)9-3-5-10(6-4-9)20(13,17)18/h3-6H,1-2H3,(H2,13,17,18)(H,14,15,16)
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110n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PI3K p110gamma using [32P]ATP after 60 mins by scintillation proximity assay


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM50390419
PNG
(CHEMBL2071333)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1ccc(cc1)-n1cccn1
Show InChI InChI=1S/C15H14N4OS/c1-10-14(21-15(17-10)18-11(2)20)12-4-6-13(7-5-12)19-9-3-8-16-19/h3-9H,1-2H3,(H,17,18,20)
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110n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PI3K p110gamma using [32P]ATP after 60 mins by scintillation proximity assay


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50390424
PNG
(CHEMBL2071340)
Show SMILES Cc1cc(NC(=O)CCNC(=O)Nc2nc(C)c(s2)-c2ccc(c(F)c2)S(C)(=O)=O)no1
Show InChI InChI=1S/C19H20FN5O5S2/c1-10-8-15(25-30-10)23-16(26)6-7-21-18(27)24-19-22-11(2)17(31-19)12-4-5-14(13(20)9-12)32(3,28)29/h4-5,8-9H,6-7H2,1-3H3,(H,23,25,26)(H2,21,22,24,27)
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110n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PI3K p110alpha by KinaseGlo assay


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM50390424
PNG
(CHEMBL2071340)
Show SMILES Cc1cc(NC(=O)CCNC(=O)Nc2nc(C)c(s2)-c2ccc(c(F)c2)S(C)(=O)=O)no1
Show InChI InChI=1S/C19H20FN5O5S2/c1-10-8-15(25-30-10)23-16(26)6-7-21-18(27)24-19-22-11(2)17(31-19)12-4-5-14(13(20)9-12)32(3,28)29/h4-5,8-9H,6-7H2,1-3H3,(H,23,25,26)(H2,21,22,24,27)
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120n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PI3K p110gamma using [32P]ATP after 60 mins by scintillation proximity assay


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50390416
PNG
(CHEMBL2071330)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1ccc(c(F)c1)S(C)(=O)=O
Show InChI InChI=1S/C13H13FN2O3S2/c1-7-12(20-13(15-7)16-8(2)17)9-4-5-11(10(14)6-9)21(3,18)19/h4-6H,1-3H3,(H,15,16,17)
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122n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PI3K p110alpha by KinaseGlo assay


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50390409
PNG
(CHEMBL1986603)
Show SMILES Cc1cc(NC(=O)CCNC(=O)Nc2nc(C)c(s2)-c2ccc(cc2)-n2cccn2)no1
Show InChI InChI=1S/C21H21N7O3S/c1-13-12-17(27-31-13)25-18(29)8-10-22-20(30)26-21-24-14(2)19(32-21)15-4-6-16(7-5-15)28-11-3-9-23-28/h3-7,9,11-12H,8,10H2,1-2H3,(H,25,27,29)(H2,22,24,26,30)
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150n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PI3K p110alpha by KinaseGlo assay


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM50390416
PNG
(CHEMBL2071330)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1ccc(c(F)c1)S(C)(=O)=O
Show InChI InChI=1S/C13H13FN2O3S2/c1-7-12(20-13(15-7)16-8(2)17)9-4-5-11(10(14)6-9)21(3,18)19/h4-6H,1-3H3,(H,15,16,17)
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183n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PI3K p110gamma using [32P]ATP after 60 mins by scintillation proximity assay


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50390421
PNG
(CHEMBL2071335)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H20N4O4S2/c1-10-14(11-5-7-12(8-6-11)27(2,24)25)26-16(19-10)20-17(23)21-9-3-4-13(21)15(18)22/h5-8,13H,3-4,9H2,1-2H3,(H2,18,22)(H,19,20,23)/t13-/m0/s1
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187n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PI3K p110alpha by KinaseGlo assay


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM50390414
PNG
(CHEMBL2071327)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C13H14N2O3S2/c1-8-12(19-13(14-8)15-9(2)16)10-4-6-11(7-5-10)20(3,17)18/h4-7H,1-3H3,(H,14,15,16)
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190n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PI3K p110delta using [32P]ATP after 60 mins by scintillation proximity assay


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50390420
PNG
(CHEMBL2071334)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1ccc(cc1)C(C)=O
Show InChI InChI=1S/C14H14N2O2S/c1-8-13(19-14(15-8)16-10(3)18)12-6-4-11(5-7-12)9(2)17/h4-7H,1-3H3,(H,15,16,18)
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190n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PI3K p110alpha by KinaseGlo assay


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50390414
PNG
(CHEMBL2071327)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C13H14N2O3S2/c1-8-12(19-13(14-8)15-9(2)16)10-4-6-11(7-5-10)20(3,17)18/h4-7H,1-3H3,(H,14,15,16)
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200n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PI3K p110alpha by KinaseGlo assay


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM50390413
PNG
(CHEMBL2071326)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C12H13N3O3S2/c1-7-11(19-12(14-7)15-8(2)16)9-3-5-10(6-4-9)20(13,17)18/h3-6H,1-2H3,(H2,13,17,18)(H,14,15,16)
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210n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PI3K p110delta using [32P]ATP after 60 mins by scintillation proximity assay


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM50390408
PNG
(CHEMBL2071338)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccc(cc1)-n1cccn1
Show InChI InChI=1S/C19H20N6O2S/c1-12-16(13-5-7-14(8-6-13)25-11-3-9-21-25)28-18(22-12)23-19(27)24-10-2-4-15(24)17(20)26/h3,5-9,11,15H,2,4,10H2,1H3,(H2,20,26)(H,22,23,27)/t15-/m0/s1
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220n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PI3K p110delta using [32P]ATP after 60 mins by scintillation proximity assay


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM50390414
PNG
(CHEMBL2071327)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C13H14N2O3S2/c1-8-12(19-13(14-8)15-9(2)16)10-4-6-11(7-5-10)20(3,17)18/h4-7H,1-3H3,(H,14,15,16)
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230n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PI3K p110gamma using [32P]ATP after 60 mins by scintillation proximity assay


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM50390416
PNG
(CHEMBL2071330)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1ccc(c(F)c1)S(C)(=O)=O
Show InChI InChI=1S/C13H13FN2O3S2/c1-7-12(20-13(15-7)16-8(2)17)9-4-5-11(10(14)6-9)21(3,18)19/h4-6H,1-3H3,(H,15,16,17)
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247n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PI3K p110delta using [32P]ATP after 60 mins by scintillation proximity assay


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (human))
BDBM50390410
PNG
(CHEMBL2069328)
Show SMILES CC(=O)c1ccc(cc1)-c1sc(NC(=O)NCCC(=O)NC(C)(C)C)nc1C
Show InChI InChI=1S/C20H26N4O3S/c1-12-17(15-8-6-14(7-9-15)13(2)25)28-19(22-12)23-18(27)21-11-10-16(26)24-20(3,4)5/h6-9H,10-11H2,1-5H3,(H,24,26)(H2,21,22,23,27)
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250n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PI3K p110beta using [32P]ATP after 60 mins by scintillation proximity assay


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM50390420
PNG
(CHEMBL2071334)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1ccc(cc1)C(C)=O
Show InChI InChI=1S/C14H14N2O2S/c1-8-13(19-14(15-8)16-10(3)18)12-6-4-11(5-7-12)9(2)17/h4-7H,1-3H3,(H,15,16,18)
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260n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PI3K p110delta using [32P]ATP after 60 mins by scintillation proximity assay


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM50390420
PNG
(CHEMBL2071334)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1ccc(cc1)C(C)=O
Show InChI InChI=1S/C14H14N2O2S/c1-8-13(19-14(15-8)16-10(3)18)12-6-4-11(5-7-12)9(2)17/h4-7H,1-3H3,(H,15,16,18)
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260n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PI3K p110gamma using [32P]ATP after 60 mins by scintillation proximity assay


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (human))
BDBM50390411
PNG
(CHEMBL2071342)
Show SMILES CCn1nnc(CCNC(=O)Nc2nc(C)c(s2)-c2ccc(c(F)c2)S(C)(=O)=O)n1
Show InChI InChI=1S/C17H20FN7O3S2/c1-4-25-23-14(22-24-25)7-8-19-16(26)21-17-20-10(2)15(29-17)11-5-6-13(12(18)9-11)30(3,27)28/h5-6,9H,4,7-8H2,1-3H3,(H2,19,20,21,26)
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320n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PI3K p110beta using [32P]ATP after 60 mins by scintillation proximity assay


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (human))
BDBM50390409
PNG
(CHEMBL1986603)
Show SMILES Cc1cc(NC(=O)CCNC(=O)Nc2nc(C)c(s2)-c2ccc(cc2)-n2cccn2)no1
Show InChI InChI=1S/C21H21N7O3S/c1-13-12-17(27-31-13)25-18(29)8-10-22-20(30)26-21-24-14(2)19(32-21)15-4-6-16(7-5-15)28-11-3-9-23-28/h3-7,9,11-12H,8,10H2,1-2H3,(H,25,27,29)(H2,22,24,26,30)
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340n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PI3K p110beta using [32P]ATP after 60 mins by scintillation proximity assay


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM50390425
PNG
(CHEMBL2071341)
Show SMILES Cc1nc(NC(=O)NCCC(=O)OC(C)(C)C)sc1-c1ccc(c(F)c1)S(C)(=O)=O
Show InChI InChI=1S/C19H24FN3O5S2/c1-11-16(12-6-7-14(13(20)10-12)30(5,26)27)29-18(22-11)23-17(25)21-9-8-15(24)28-19(2,3)4/h6-7,10H,8-9H2,1-5H3,(H2,21,22,23,25)
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380n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PI3K p110delta using [32P]ATP after 60 mins by scintillation proximity assay


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (human))
BDBM50390419
PNG
(CHEMBL2071333)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1ccc(cc1)-n1cccn1
Show InChI InChI=1S/C15H14N4OS/c1-10-14(21-15(17-10)18-11(2)20)12-4-6-13(7-5-12)19-9-3-8-16-19/h3-9H,1-2H3,(H,17,18,20)
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410n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PI3K p110beta using [32P]ATP after 60 mins by scintillation proximity assay


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM50390411
PNG
(CHEMBL2071342)
Show SMILES CCn1nnc(CCNC(=O)Nc2nc(C)c(s2)-c2ccc(c(F)c2)S(C)(=O)=O)n1
Show InChI InChI=1S/C17H20FN7O3S2/c1-4-25-23-14(22-24-25)7-8-19-16(26)21-17-20-10(2)15(29-17)11-5-6-13(12(18)9-11)30(3,27)28/h5-6,9H,4,7-8H2,1-3H3,(H2,19,20,21,26)
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470n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PI3K p110delta using [32P]ATP after 60 mins by scintillation proximity assay


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM50390408
PNG
(CHEMBL2071338)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccc(cc1)-n1cccn1
Show InChI InChI=1S/C19H20N6O2S/c1-12-16(13-5-7-14(8-6-13)25-11-3-9-21-25)28-18(22-12)23-19(27)24-10-2-4-15(24)17(20)26/h3,5-9,11,15H,2,4,10H2,1H3,(H2,20,26)(H,22,23,27)/t15-/m0/s1
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530n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PI3K p110gamma using [32P]ATP after 60 mins by scintillation proximity assay


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (human))
BDBM50390426
PNG
(CHEMBL2071329)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1ccc(c(Br)c1)S(C)(=O)=O
Show InChI InChI=1S/C13H13BrN2O3S2/c1-7-12(20-13(15-7)16-8(2)17)9-4-5-11(10(14)6-9)21(3,18)19/h4-6H,1-3H3,(H,15,16,17)
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550n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PI3K p110beta using [32P]ATP after 60 mins by scintillation proximity assay


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM50390410
PNG
(CHEMBL2069328)
Show SMILES CC(=O)c1ccc(cc1)-c1sc(NC(=O)NCCC(=O)NC(C)(C)C)nc1C
Show InChI InChI=1S/C20H26N4O3S/c1-12-17(15-8-6-14(7-9-15)13(2)25)28-19(22-12)23-18(27)21-11-10-16(26)24-20(3,4)5/h6-9H,10-11H2,1-5H3,(H,24,26)(H2,21,22,23,27)
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740n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PI3K p110delta using [32P]ATP after 60 mins by scintillation proximity assay


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (human))
BDBM50390417
PNG
(CHEMBL2071331)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1ccc(c(c1)C#N)S(C)(=O)=O
Show InChI InChI=1S/C14H13N3O3S2/c1-8-13(21-14(16-8)17-9(2)18)10-4-5-12(22(3,19)20)11(6-10)7-15/h4-6H,1-3H3,(H,16,17,18)
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760n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PI3K p110beta using [32P]ATP after 60 mins by scintillation proximity assay


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (human))
BDBM50390424
PNG
(CHEMBL2071340)
Show SMILES Cc1cc(NC(=O)CCNC(=O)Nc2nc(C)c(s2)-c2ccc(c(F)c2)S(C)(=O)=O)no1
Show InChI InChI=1S/C19H20FN5O5S2/c1-10-8-15(25-30-10)23-16(26)6-7-21-18(27)24-19-22-11(2)17(31-19)12-4-5-14(13(20)9-12)32(3,28)29/h4-5,8-9H,6-7H2,1-3H3,(H,23,25,26)(H2,21,22,24,27)
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860n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PI3K p110beta using [32P]ATP after 60 mins by scintillation proximity assay


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (human))
BDBM50390418
PNG
(CHEMBL2071332)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1ccc(c(c1)C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C14H13F3N2O3S2/c1-7-12(23-13(18-7)19-8(2)20)9-4-5-11(24(3,21)22)10(6-9)14(15,16)17/h4-6H,1-3H3,(H,18,19,20)
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870n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PI3K p110beta using [32P]ATP after 60 mins by scintillation proximity assay


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM50390409
PNG
(CHEMBL1986603)
Show SMILES Cc1cc(NC(=O)CCNC(=O)Nc2nc(C)c(s2)-c2ccc(cc2)-n2cccn2)no1
Show InChI InChI=1S/C21H21N7O3S/c1-13-12-17(27-31-13)25-18(29)8-10-22-20(30)26-21-24-14(2)19(32-21)15-4-6-16(7-5-15)28-11-3-9-23-28/h3-7,9,11-12H,8,10H2,1-2H3,(H,25,27,29)(H2,22,24,26,30)
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1.02E+3n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PI3K p110gamma using [32P]ATP after 60 mins by scintillation proximity assay


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM50390423
PNG
(CHEMBL2071337)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccc(c(c1)C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C18H19F3N4O4S2/c1-9-14(10-5-6-13(31(2,28)29)11(8-10)18(19,20)21)30-16(23-9)24-17(27)25-7-3-4-12(25)15(22)26/h5-6,8,12H,3-4,7H2,1-2H3,(H2,22,26)(H,23,24,27)/t12-/m0/s1
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1.14E+3n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PI3K p110gamma using [32P]ATP after 60 mins by scintillation proximity assay


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (human))
BDBM50390415
PNG
(CHEMBL2071328)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1ccc(c(Cl)c1)S(C)(=O)=O
Show InChI InChI=1S/C13H13ClN2O3S2/c1-7-12(20-13(15-7)16-8(2)17)9-4-5-11(10(14)6-9)21(3,18)19/h4-6H,1-3H3,(H,15,16,17)
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1.30E+3n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PI3K p110beta using [32P]ATP after 60 mins by scintillation proximity assay


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (human))
BDBM50390414
PNG
(CHEMBL2071327)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C13H14N2O3S2/c1-8-12(19-13(14-8)15-9(2)16)10-4-6-11(7-5-10)20(3,17)18/h4-7H,1-3H3,(H,14,15,16)
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1.36E+3n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PI3K p110beta using [32P]ATP after 60 mins by scintillation proximity assay


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50390411
PNG
(CHEMBL2071342)
Show SMILES CCn1nnc(CCNC(=O)Nc2nc(C)c(s2)-c2ccc(c(F)c2)S(C)(=O)=O)n1
Show InChI InChI=1S/C17H20FN7O3S2/c1-4-25-23-14(22-24-25)7-8-19-16(26)21-17-20-10(2)15(29-17)11-5-6-13(12(18)9-11)30(3,27)28/h5-6,9H,4,7-8H2,1-3H3,(H2,19,20,21,26)
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1.40E+3n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PI3K p110alpha by KinaseGlo assay


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (human))
BDBM50390416
PNG
(CHEMBL2071330)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1ccc(c(F)c1)S(C)(=O)=O
Show InChI InChI=1S/C13H13FN2O3S2/c1-7-12(20-13(15-7)16-8(2)17)9-4-5-11(10(14)6-9)21(3,18)19/h4-6H,1-3H3,(H,15,16,17)
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1.41E+3n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PI3K p110beta using [32P]ATP after 60 mins by scintillation proximity assay


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (human))
BDBM50390413
PNG
(CHEMBL2071326)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C12H13N3O3S2/c1-7-11(19-12(14-7)15-8(2)16)9-3-5-10(6-4-9)20(13,17)18/h3-6H,1-2H3,(H2,13,17,18)(H,14,15,16)
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1.43E+3n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PI3K p110beta using [32P]ATP after 60 mins by scintillation proximity assay


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM50390423
PNG
(CHEMBL2071337)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccc(c(c1)C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C18H19F3N4O4S2/c1-9-14(10-5-6-13(31(2,28)29)11(8-10)18(19,20)21)30-16(23-9)24-17(27)25-7-3-4-12(25)15(22)26/h5-6,8,12H,3-4,7H2,1-2H3,(H2,22,26)(H,23,24,27)/t12-/m0/s1
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1.67E+3n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PI3K p110delta using [32P]ATP after 60 mins by scintillation proximity assay


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50390410
PNG
(CHEMBL2069328)
Show SMILES CC(=O)c1ccc(cc1)-c1sc(NC(=O)NCCC(=O)NC(C)(C)C)nc1C
Show InChI InChI=1S/C20H26N4O3S/c1-12-17(15-8-6-14(7-9-15)13(2)25)28-19(22-12)23-18(27)21-11-10-16(26)24-20(3,4)5/h6-9H,10-11H2,1-5H3,(H,24,26)(H2,21,22,23,27)
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1.89E+3n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PI3K p110alpha by KinaseGlo assay


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (human))
BDBM50390420
PNG
(CHEMBL2071334)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1ccc(cc1)C(C)=O
Show InChI InChI=1S/C14H14N2O2S/c1-8-13(19-14(15-8)16-10(3)18)12-6-4-11(5-7-12)9(2)17/h4-7H,1-3H3,(H,15,16,18)
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1.94E+3n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PI3K p110beta using [32P]ATP after 60 mins by scintillation proximity assay


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (human))
BDBM50390408
PNG
(CHEMBL2071338)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccc(cc1)-n1cccn1
Show InChI InChI=1S/C19H20N6O2S/c1-12-16(13-5-7-14(8-6-13)25-11-3-9-21-25)28-18(22-12)23-19(27)24-10-2-4-15(24)17(20)26/h3,5-9,11,15H,2,4,10H2,1H3,(H2,20,26)(H,22,23,27)/t15-/m0/s1
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2.00E+3n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PI3K p110beta using [32P]ATP after 60 mins by scintillation proximity assay


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50390425
PNG
(CHEMBL2071341)
Show SMILES Cc1nc(NC(=O)NCCC(=O)OC(C)(C)C)sc1-c1ccc(c(F)c1)S(C)(=O)=O
Show InChI InChI=1S/C19H24FN3O5S2/c1-11-16(12-6-7-14(13(20)10-12)30(5,26)27)29-18(22-11)23-17(25)21-9-8-15(24)28-19(2,3)4/h6-7,10H,8-9H2,1-5H3,(H2,21,22,23,25)
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2.13E+3n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PI3K p110alpha by KinaseGlo assay


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM50390422
PNG
(CHEMBL2071336)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccc(c(F)c1)S(C)(=O)=O
Show InChI InChI=1S/C17H19FN4O4S2/c1-9-14(10-5-6-13(11(18)8-10)28(2,25)26)27-16(20-9)21-17(24)22-7-3-4-12(22)15(19)23/h5-6,8,12H,3-4,7H2,1-2H3,(H2,19,23)(H,20,21,24)/t12-/m0/s1
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2.90E+3n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PI3K p110delta using [32P]ATP after 60 mins by scintillation proximity assay


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM50390422
PNG
(CHEMBL2071336)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccc(c(F)c1)S(C)(=O)=O
Show InChI InChI=1S/C17H19FN4O4S2/c1-9-14(10-5-6-13(11(18)8-10)28(2,25)26)27-16(20-9)21-17(24)22-7-3-4-12(22)15(19)23/h5-6,8,12H,3-4,7H2,1-2H3,(H2,19,23)(H,20,21,24)/t12-/m0/s1
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3.06E+3n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PI3K p110gamma using [32P]ATP after 60 mins by scintillation proximity assay


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM50390421
PNG
(CHEMBL2071335)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H20N4O4S2/c1-10-14(11-5-7-12(8-6-11)27(2,24)25)26-16(19-10)20-17(23)21-9-3-4-13(21)15(18)22/h5-8,13H,3-4,9H2,1-2H3,(H2,18,22)(H,19,20,23)/t13-/m0/s1
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3.62E+3n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PI3K p110delta using [32P]ATP after 60 mins by scintillation proximity assay


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM50390421
PNG
(CHEMBL2071335)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H20N4O4S2/c1-10-14(11-5-7-12(8-6-11)27(2,24)25)26-16(19-10)20-17(23)21-9-3-4-13(21)15(18)22/h5-8,13H,3-4,9H2,1-2H3,(H2,18,22)(H,19,20,23)/t13-/m0/s1
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5.81E+3n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PI3K p110gamma using [32P]ATP after 60 mins by scintillation proximity assay


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (human))
BDBM50390421
PNG
(CHEMBL2071335)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H20N4O4S2/c1-10-14(11-5-7-12(8-6-11)27(2,24)25)26-16(19-10)20-17(23)21-9-3-4-13(21)15(18)22/h5-8,13H,3-4,9H2,1-2H3,(H2,18,22)(H,19,20,23)/t13-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PI3K p110beta using [32P]ATP after 60 mins by scintillation proximity assay


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (human))
BDBM50390423
PNG
(CHEMBL2071337)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccc(c(c1)C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C18H19F3N4O4S2/c1-9-14(10-5-6-13(31(2,28)29)11(8-10)18(19,20)21)30-16(23-9)24-17(27)25-7-3-4-12(25)15(22)26/h5-6,8,12H,3-4,7H2,1-2H3,(H2,22,26)(H,23,24,27)/t12-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PI3K p110beta using [32P]ATP after 60 mins by scintillation proximity assay


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (human))
BDBM50390422
PNG
(CHEMBL2071336)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccc(c(F)c1)S(C)(=O)=O
Show InChI InChI=1S/C17H19FN4O4S2/c1-9-14(10-5-6-13(11(18)8-10)28(2,25)26)27-16(20-9)21-17(24)22-7-3-4-12(22)15(19)23/h5-6,8,12H,3-4,7H2,1-2H3,(H2,19,23)(H,20,21,24)/t12-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PI3K p110beta using [32P]ATP after 60 mins by scintillation proximity assay


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta (PIK4KB)


(Homo sapiens (Human))
BDBM50390409
PNG
(CHEMBL1986603)
Show SMILES Cc1cc(NC(=O)CCNC(=O)Nc2nc(C)c(s2)-c2ccc(cc2)-n2cccn2)no1
Show InChI InChI=1S/C21H21N7O3S/c1-13-12-17(27-31-13)25-18(29)8-10-22-20(30)26-21-24-14(2)19(32-21)15-4-6-16(7-5-15)28-11-3-9-23-28/h3-7,9,11-12H,8,10H2,1-2H3,(H,25,27,29)(H2,22,24,26,30)
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n/an/a 40n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI4Kbeta


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50390412
PNG
(CHEMBL2071339)
Show SMILES NC(=O)[C@@H]1CCCN1C(=O)Nc1nc2ccc(cc2s1)-c1cnc(N)c(c1)C(F)(F)F
Show InChI InChI=1S/C19H17F3N6O2S/c20-19(21,22)11-6-10(8-25-15(11)23)9-3-4-12-14(7-9)31-17(26-12)27-18(30)28-5-1-2-13(28)16(24)29/h3-4,6-8,13H,1-2,5H2,(H2,23,25)(H2,24,29)(H,26,27,30)/t13-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PI3K p110alpha by KinaseGlo assay


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))
BDBM50390411
PNG
(CHEMBL2071342)
Show SMILES CCn1nnc(CCNC(=O)Nc2nc(C)c(s2)-c2ccc(c(F)c2)S(C)(=O)=O)n1
Show InChI InChI=1S/C17H20FN7O3S2/c1-4-25-23-14(22-24-25)7-8-19-16(26)21-17-20-10(2)15(29-17)11-5-6-13(12(18)9-11)30(3,27)28/h5-6,9H,4,7-8H2,1-3H3,(H2,19,20,21,26)
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n/an/a 117n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of CLK2


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50390411
PNG
(CHEMBL2071342)
Show SMILES CCn1nnc(CCNC(=O)Nc2nc(C)c(s2)-c2ccc(c(F)c2)S(C)(=O)=O)n1
Show InChI InChI=1S/C17H20FN7O3S2/c1-4-25-23-14(22-24-25)7-8-19-16(26)21-17-20-10(2)15(29-17)11-5-6-13(12(18)9-11)30(3,27)28/h5-6,9H,4,7-8H2,1-3H3,(H2,19,20,21,26)
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n/an/a 118n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of CLK1


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta (PIK4KB)


(Homo sapiens (Human))
BDBM50390410
PNG
(CHEMBL2069328)
Show SMILES CC(=O)c1ccc(cc1)-c1sc(NC(=O)NCCC(=O)NC(C)(C)C)nc1C
Show InChI InChI=1S/C20H26N4O3S/c1-12-17(15-8-6-14(7-9-15)13(2)25)28-19(22-12)23-18(27)21-11-10-16(26)24-20(3,4)5/h6-9H,10-11H2,1-5H3,(H,24,26)(H2,21,22,23,27)
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n/an/a 240n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI4Kbeta


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM50390412
PNG
(CHEMBL2071339)
Show SMILES NC(=O)[C@@H]1CCCN1C(=O)Nc1nc2ccc(cc2s1)-c1cnc(N)c(c1)C(F)(F)F
Show InChI InChI=1S/C19H17F3N6O2S/c20-19(21,22)11-6-10(8-25-15(11)23)9-3-4-12-14(7-9)31-17(26-12)27-18(30)28-5-1-2-13(28)16(24)29/h3-4,6-8,13H,1-2,5H2,(H2,23,25)(H2,24,29)(H,26,27,30)/t13-/m0/s1
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n/an/a 540n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PI3K p110delta by KinaseGlo assay


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta (PIK4KB)


(Homo sapiens (Human))
BDBM50390408
PNG
(CHEMBL2071338)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccc(cc1)-n1cccn1
Show InChI InChI=1S/C19H20N6O2S/c1-12-16(13-5-7-14(8-6-13)25-11-3-9-21-25)28-18(22-12)23-19(27)24-10-2-4-15(24)17(20)26/h3,5-9,11,15H,2,4,10H2,1H3,(H2,20,26)(H,22,23,27)/t15-/m0/s1
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n/an/a 920n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI4Kbeta


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM50390412
PNG
(CHEMBL2071339)
Show SMILES NC(=O)[C@@H]1CCCN1C(=O)Nc1nc2ccc(cc2s1)-c1cnc(N)c(c1)C(F)(F)F
Show InChI InChI=1S/C19H17F3N6O2S/c20-19(21,22)11-6-10(8-25-15(11)23)9-3-4-12-14(7-9)31-17(26-12)27-18(30)28-5-1-2-13(28)16(24)29/h3-4,6-8,13H,1-2,5H2,(H2,23,25)(H2,24,29)(H,26,27,30)/t13-/m0/s1
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n/an/a 1.19E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PI3K p110gamma by KinaseGlo assay


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta (PIK4KB)


(Homo sapiens (Human))
BDBM50390411
PNG
(CHEMBL2071342)
Show SMILES CCn1nnc(CCNC(=O)Nc2nc(C)c(s2)-c2ccc(c(F)c2)S(C)(=O)=O)n1
Show InChI InChI=1S/C17H20FN7O3S2/c1-4-25-23-14(22-24-25)7-8-19-16(26)21-17-20-10(2)15(29-17)11-5-6-13(12(18)9-11)30(3,27)28/h5-6,9H,4,7-8H2,1-3H3,(H2,19,20,21,26)
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n/an/a 1.33E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI4Kbeta


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (human))
BDBM50390412
PNG
(CHEMBL2071339)
Show SMILES NC(=O)[C@@H]1CCCN1C(=O)Nc1nc2ccc(cc2s1)-c1cnc(N)c(c1)C(F)(F)F
Show InChI InChI=1S/C19H17F3N6O2S/c20-19(21,22)11-6-10(8-25-15(11)23)9-3-4-12-14(7-9)31-17(26-12)27-18(30)28-5-1-2-13(28)16(24)29/h3-4,6-8,13H,1-2,5H2,(H2,23,25)(H2,24,29)(H,26,27,30)/t13-/m0/s1
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n/an/a 2.94E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PI3K p110beta by KinaseGlo assay


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (human))
BDBM50390409
PNG
(CHEMBL1986603)
Show SMILES Cc1cc(NC(=O)CCNC(=O)Nc2nc(C)c(s2)-c2ccc(cc2)-n2cccn2)no1
Show InChI InChI=1S/C21H21N7O3S/c1-13-12-17(27-31-13)25-18(29)8-10-22-20(30)26-21-24-14(2)19(32-21)15-4-6-16(7-5-15)28-11-3-9-23-28/h3-7,9,11-12H,8,10H2,1-2H3,(H,25,27,29)(H2,22,24,26,30)
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n/an/a>9.10E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Vps34


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (human))
BDBM50390408
PNG
(CHEMBL2071338)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccc(cc1)-n1cccn1
Show InChI InChI=1S/C19H20N6O2S/c1-12-16(13-5-7-14(8-6-13)25-11-3-9-21-25)28-18(22-12)23-19(27)24-10-2-4-15(24)17(20)26/h3,5-9,11,15H,2,4,10H2,1H3,(H2,20,26)(H,22,23,27)/t15-/m0/s1
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n/an/a>9.10E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Vps34


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (human))
BDBM50390410
PNG
(CHEMBL2069328)
Show SMILES CC(=O)c1ccc(cc1)-c1sc(NC(=O)NCCC(=O)NC(C)(C)C)nc1C
Show InChI InChI=1S/C20H26N4O3S/c1-12-17(15-8-6-14(7-9-15)13(2)25)28-19(22-12)23-18(27)21-11-10-16(26)24-20(3,4)5/h6-9H,10-11H2,1-5H3,(H,24,26)(H2,21,22,23,27)
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n/an/a>9.10E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Vps34


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50390410
PNG
(CHEMBL2069328)
Show SMILES CC(=O)c1ccc(cc1)-c1sc(NC(=O)NCCC(=O)NC(C)(C)C)nc1C
Show InChI InChI=1S/C20H26N4O3S/c1-12-17(15-8-6-14(7-9-15)13(2)25)28-19(22-12)23-18(27)21-11-10-16(26)24-20(3,4)5/h6-9H,10-11H2,1-5H3,(H,24,26)(H2,21,22,23,27)
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n/an/a>9.10E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50390409
PNG
(CHEMBL1986603)
Show SMILES Cc1cc(NC(=O)CCNC(=O)Nc2nc(C)c(s2)-c2ccc(cc2)-n2cccn2)no1
Show InChI InChI=1S/C21H21N7O3S/c1-13-12-17(27-31-13)25-18(29)8-10-22-20(30)26-21-24-14(2)19(32-21)15-4-6-16(7-5-15)28-11-3-9-23-28/h3-7,9,11-12H,8,10H2,1-2H3,(H,25,27,29)(H2,22,24,26,30)
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n/an/a>9.10E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50390411
PNG
(CHEMBL2071342)
Show SMILES CCn1nnc(CCNC(=O)Nc2nc(C)c(s2)-c2ccc(c(F)c2)S(C)(=O)=O)n1
Show InChI InChI=1S/C17H20FN7O3S2/c1-4-25-23-14(22-24-25)7-8-19-16(26)21-17-20-10(2)15(29-17)11-5-6-13(12(18)9-11)30(3,27)28/h5-6,9H,4,7-8H2,1-3H3,(H2,19,20,21,26)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (human))
BDBM50390411
PNG
(CHEMBL2071342)
Show SMILES CCn1nnc(CCNC(=O)Nc2nc(C)c(s2)-c2ccc(c(F)c2)S(C)(=O)=O)n1
Show InChI InChI=1S/C17H20FN7O3S2/c1-4-25-23-14(22-24-25)7-8-19-16(26)21-17-20-10(2)15(29-17)11-5-6-13(12(18)9-11)30(3,27)28/h5-6,9H,4,7-8H2,1-3H3,(H2,19,20,21,26)
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n/an/a>9.10E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Vps34


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50390408
PNG
(CHEMBL2071338)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccc(cc1)-n1cccn1
Show InChI InChI=1S/C19H20N6O2S/c1-12-16(13-5-7-14(8-6-13)25-11-3-9-21-25)28-18(22-12)23-19(27)24-10-2-4-15(24)17(20)26/h3,5-9,11,15H,2,4,10H2,1H3,(H2,20,26)(H,22,23,27)/t15-/m0/s1
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50390411
PNG
(CHEMBL2071342)
Show SMILES CCn1nnc(CCNC(=O)Nc2nc(C)c(s2)-c2ccc(c(F)c2)S(C)(=O)=O)n1
Show InChI InChI=1S/C17H20FN7O3S2/c1-4-25-23-14(22-24-25)7-8-19-16(26)21-17-20-10(2)15(29-17)11-5-6-13(12(18)9-11)30(3,27)28/h5-6,9H,4,7-8H2,1-3H3,(H2,19,20,21,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50390409
PNG
(CHEMBL1986603)
Show SMILES Cc1cc(NC(=O)CCNC(=O)Nc2nc(C)c(s2)-c2ccc(cc2)-n2cccn2)no1
Show InChI InChI=1S/C21H21N7O3S/c1-13-12-17(27-31-13)25-18(29)8-10-22-20(30)26-21-24-14(2)19(32-21)15-4-6-16(7-5-15)28-11-3-9-23-28/h3-7,9,11-12H,8,10H2,1-2H3,(H,25,27,29)(H2,22,24,26,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50390408
PNG
(CHEMBL2071338)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccc(cc1)-n1cccn1
Show InChI InChI=1S/C19H20N6O2S/c1-12-16(13-5-7-14(8-6-13)25-11-3-9-21-25)28-18(22-12)23-19(27)24-10-2-4-15(24)17(20)26/h3,5-9,11,15H,2,4,10H2,1H3,(H2,20,26)(H,22,23,27)/t15-/m0/s1
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50390410
PNG
(CHEMBL2069328)
Show SMILES CC(=O)c1ccc(cc1)-c1sc(NC(=O)NCCC(=O)NC(C)(C)C)nc1C
Show InChI InChI=1S/C20H26N4O3S/c1-12-17(15-8-6-14(7-9-15)13(2)25)28-19(22-12)23-18(27)21-11-10-16(26)24-20(3,4)5/h6-9H,10-11H2,1-5H3,(H,24,26)(H2,21,22,23,27)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK


Bioorg Med Chem Lett 22: 5445-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.042
BindingDB Entry DOI: 10.7270/Q28P61MR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%