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Compile Data Set for Download or QSAR

Found 147 hits with Last Name = 'newblom' and Initial = 'j'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50403068
PNG
(CHEMBL2216870 | IDELALISIB | US9745321, CAL-101)
Show SMILES CC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1
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n/an/a 2.5n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110delta (unknown origin)


J Med Chem 56: 1922-39 (2013)


Article DOI: 10.1021/jm301522m
BindingDB Entry DOI: 10.7270/Q2Z89DR9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50427456
PNG
(CHEMBL2326953 | US10308662, Compound 44 | US950578...)
Show SMILES COC(=O)c1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C19H17NO5S/c1-23-19(22)13-4-2-12(3-5-13)14-11-26-18-15(21)10-16(25-17(14)18)20-6-8-24-9-7-20/h2-5,10-11H,6-9H2,1H3
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n/an/a 12n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110delta (unknown origin)


J Med Chem 56: 1922-39 (2013)


Article DOI: 10.1021/jm301522m
BindingDB Entry DOI: 10.7270/Q2Z89DR9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50427485
PNG
(CHEMBL2326959 | US10308662, Compound 120 | US95057...)
Show SMILES O=C(Nc1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1)c1ccncc1
Show InChI InChI=1S/C23H19N3O4S/c27-19-13-20(26-9-11-29-12-10-26)30-21-18(14-31-22(19)21)15-1-3-17(4-2-15)25-23(28)16-5-7-24-8-6-16/h1-8,13-14H,9-12H2,(H,25,28)
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n/an/a 14n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha (unknown origin)


J Med Chem 56: 1922-39 (2013)


Article DOI: 10.1021/jm301522m
BindingDB Entry DOI: 10.7270/Q2Z89DR9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50427455
PNG
(CHEMBL2326951)
Show SMILES CN1CCN(CC1)c1ncc(cn1)-c1csc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C20H23N5O3S/c1-23-2-4-25(5-3-23)20-21-11-14(12-22-20)15-13-29-19-16(26)10-17(28-18(15)19)24-6-8-27-9-7-24/h10-13H,2-9H2,1H3
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n/an/a 18n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110delta (unknown origin)


J Med Chem 56: 1922-39 (2013)


Article DOI: 10.1021/jm301522m
BindingDB Entry DOI: 10.7270/Q2Z89DR9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50427489
PNG
(CHEMBL2326955)
Show SMILES O=C(Nc1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1)c1cccnc1
Show InChI InChI=1S/C23H19N3O4S/c27-19-12-20(26-8-10-29-11-9-26)30-21-18(14-31-22(19)21)15-3-5-17(6-4-15)25-23(28)16-2-1-7-24-13-16/h1-7,12-14H,8-11H2,(H,25,28)
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n/an/a 20n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110delta (unknown origin)


J Med Chem 56: 1922-39 (2013)


Article DOI: 10.1021/jm301522m
BindingDB Entry DOI: 10.7270/Q2Z89DR9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50427459
PNG
(CHEMBL2326954)
Show SMILES CNc1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C18H18N2O3S/c1-19-13-4-2-12(3-5-13)14-11-24-18-15(21)10-16(23-17(14)18)20-6-8-22-9-7-20/h2-5,10-11,19H,6-9H2,1H3
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n/an/a 26n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110delta (unknown origin)


J Med Chem 56: 1922-39 (2013)


Article DOI: 10.1021/jm301522m
BindingDB Entry DOI: 10.7270/Q2Z89DR9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50427457
PNG
(CHEMBL2326952 | US10308662, Compound 25 | US950578...)
Show SMILES CCOC(=O)c1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C20H19NO5S/c1-2-25-20(23)14-5-3-13(4-6-14)15-12-27-19-16(22)11-17(26-18(15)19)21-7-9-24-10-8-21/h3-6,11-12H,2,7-10H2,1H3
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n/an/a 27n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110delta (unknown origin)


J Med Chem 56: 1922-39 (2013)


Article DOI: 10.1021/jm301522m
BindingDB Entry DOI: 10.7270/Q2Z89DR9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50427453
PNG
(CHEMBL2322228 | US10308662, Compound 28 | US950578...)
Show SMILES O=c1cc(oc2c(csc12)-c1ccc2OCCOc2c1)N1CCOCC1
Show InChI InChI=1S/C19H17NO5S/c21-14-10-17(20-3-5-22-6-4-20)25-18-13(11-26-19(14)18)12-1-2-15-16(9-12)24-8-7-23-15/h1-2,9-11H,3-8H2
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n/an/a 34n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha (unknown origin)


J Med Chem 56: 1922-39 (2013)


Article DOI: 10.1021/jm301522m
BindingDB Entry DOI: 10.7270/Q2Z89DR9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50427453
PNG
(CHEMBL2322228 | US10308662, Compound 28 | US950578...)
Show SMILES O=c1cc(oc2c(csc12)-c1ccc2OCCOc2c1)N1CCOCC1
Show InChI InChI=1S/C19H17NO5S/c21-14-10-17(20-3-5-22-6-4-20)25-18-13(11-26-19(14)18)12-1-2-15-16(9-12)24-8-7-23-15/h1-2,9-11H,3-8H2
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n/an/a 43n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of PIM1 (unknown origin)


J Med Chem 56: 1922-39 (2013)


Article DOI: 10.1021/jm301522m
BindingDB Entry DOI: 10.7270/Q2Z89DR9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50427489
PNG
(CHEMBL2326955)
Show SMILES O=C(Nc1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1)c1cccnc1
Show InChI InChI=1S/C23H19N3O4S/c27-19-12-20(26-8-10-29-11-9-26)30-21-18(14-31-22(19)21)15-3-5-17(6-4-15)25-23(28)16-2-1-7-24-13-16/h1-7,12-14H,8-11H2,(H,25,28)
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n/an/a 53n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha (unknown origin)


J Med Chem 56: 1922-39 (2013)


Article DOI: 10.1021/jm301522m
BindingDB Entry DOI: 10.7270/Q2Z89DR9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50427459
PNG
(CHEMBL2326954)
Show SMILES CNc1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C18H18N2O3S/c1-19-13-4-2-12(3-5-13)14-11-24-18-15(21)10-16(23-17(14)18)20-6-8-22-9-7-20/h2-5,10-11,19H,6-9H2,1H3
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n/an/a 56n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha (unknown origin)


J Med Chem 56: 1922-39 (2013)


Article DOI: 10.1021/jm301522m
BindingDB Entry DOI: 10.7270/Q2Z89DR9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50427492
PNG
(CHEMBL2322244)
Show SMILES COc1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C18H17NO4S/c1-21-13-4-2-12(3-5-13)14-11-24-18-15(20)10-16(23-17(14)18)19-6-8-22-9-7-19/h2-5,10-11H,6-9H2,1H3
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n/an/a 61n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha (unknown origin)


J Med Chem 56: 1922-39 (2013)


Article DOI: 10.1021/jm301522m
BindingDB Entry DOI: 10.7270/Q2Z89DR9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50427480
PNG
(CHEMBL2326964)
Show SMILES O=C(Nc1ccccn1)c1cccc(c1)-c1csc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C23H19N3O4S/c27-18-13-20(26-8-10-29-11-9-26)30-21-17(14-31-22(18)21)15-4-3-5-16(12-15)23(28)25-19-6-1-2-7-24-19/h1-7,12-14H,8-11H2,(H,24,25,28)
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n/an/a 66n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha (unknown origin)


J Med Chem 56: 1922-39 (2013)


Article DOI: 10.1021/jm301522m
BindingDB Entry DOI: 10.7270/Q2Z89DR9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50427481
PNG
(CHEMBL2326963)
Show SMILES O=C(Nc1ccncc1)c1cccc(c1)-c1csc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C23H19N3O4S/c27-19-13-20(26-8-10-29-11-9-26)30-21-18(14-31-22(19)21)15-2-1-3-16(12-15)23(28)25-17-4-6-24-7-5-17/h1-7,12-14H,8-11H2,(H,24,25,28)
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n/an/a 71n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha (unknown origin)


J Med Chem 56: 1922-39 (2013)


Article DOI: 10.1021/jm301522m
BindingDB Entry DOI: 10.7270/Q2Z89DR9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50427467
PNG
(CHEMBL2322229)
Show SMILES COc1cccc(c1)-c1csc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C18H17NO4S/c1-21-13-4-2-3-12(9-13)14-11-24-18-15(20)10-16(23-17(14)18)19-5-7-22-8-6-19/h2-4,9-11H,5-8H2,1H3
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n/an/a 72n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha (unknown origin)


J Med Chem 56: 1922-39 (2013)


Article DOI: 10.1021/jm301522m
BindingDB Entry DOI: 10.7270/Q2Z89DR9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50427493
PNG
(CHEMBL2322243)
Show SMILES O=c1cc(oc2c(csc12)-c1ccc2OCOc2c1)N1CCOCC1
Show InChI InChI=1S/C18H15NO5S/c20-13-8-16(19-3-5-21-6-4-19)24-17-12(9-25-18(13)17)11-1-2-14-15(7-11)23-10-22-14/h1-2,7-9H,3-6,10H2
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n/an/a 75n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha (unknown origin)


J Med Chem 56: 1922-39 (2013)


Article DOI: 10.1021/jm301522m
BindingDB Entry DOI: 10.7270/Q2Z89DR9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50427475
PNG
(CHEMBL2326967)
Show SMILES O=c1cc(oc2c(csc12)-c1cc2ccccc2[nH]1)N1CCOCC1
Show InChI InChI=1S/C19H16N2O3S/c22-16-10-17(21-5-7-23-8-6-21)24-18-13(11-25-19(16)18)15-9-12-3-1-2-4-14(12)20-15/h1-4,9-11,20H,5-8H2
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n/an/a 77n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha (unknown origin)


J Med Chem 56: 1922-39 (2013)


Article DOI: 10.1021/jm301522m
BindingDB Entry DOI: 10.7270/Q2Z89DR9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50427488
PNG
(CHEMBL2326956 | US10308662, Compound 100 | US95057...)
Show SMILES OC(=O)c1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C18H15NO5S/c20-14-9-15(19-5-7-23-8-6-19)24-16-13(10-25-17(14)16)11-1-3-12(4-2-11)18(21)22/h1-4,9-10H,5-8H2,(H,21,22)
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n/an/a 80n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha (unknown origin)


J Med Chem 56: 1922-39 (2013)


Article DOI: 10.1021/jm301522m
BindingDB Entry DOI: 10.7270/Q2Z89DR9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50427460
PNG
(CHEMBL2322236)
Show SMILES CC(=O)Nc1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C19H18N2O4S/c1-12(22)20-14-4-2-13(3-5-14)15-11-26-19-16(23)10-17(25-18(15)19)21-6-8-24-9-7-21/h2-5,10-11H,6-9H2,1H3,(H,20,22)
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n/an/a 85n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha (unknown origin)


J Med Chem 56: 1922-39 (2013)


Article DOI: 10.1021/jm301522m
BindingDB Entry DOI: 10.7270/Q2Z89DR9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50427482
PNG
(CHEMBL2326962)
Show SMILES O=C(Nc1ccccn1)c1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C23H19N3O4S/c27-18-13-20(26-9-11-29-12-10-26)30-21-17(14-31-22(18)21)15-4-6-16(7-5-15)23(28)25-19-3-1-2-8-24-19/h1-8,13-14H,9-12H2,(H,24,25,28)
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n/an/a 86n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha (unknown origin)


J Med Chem 56: 1922-39 (2013)


Article DOI: 10.1021/jm301522m
BindingDB Entry DOI: 10.7270/Q2Z89DR9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50403068
PNG
(CHEMBL2216870 | IDELALISIB | US9745321, CAL-101)
Show SMILES CC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1
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n/an/a 89n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110gamma (unknown origin)


J Med Chem 56: 1922-39 (2013)


Article DOI: 10.1021/jm301522m
BindingDB Entry DOI: 10.7270/Q2Z89DR9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50427491
PNG
(CHEMBL2322245)
Show SMILES CN(C)c1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C19H20N2O3S/c1-20(2)14-5-3-13(4-6-14)15-12-25-19-16(22)11-17(24-18(15)19)21-7-9-23-10-8-21/h3-6,11-12H,7-10H2,1-2H3
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n/an/a 95n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha (unknown origin)


J Med Chem 56: 1922-39 (2013)


Article DOI: 10.1021/jm301522m
BindingDB Entry DOI: 10.7270/Q2Z89DR9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50427463
PNG
(CHEMBL2322233)
Show SMILES Clc1ccc(cc1Cl)-c1csc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C17H13Cl2NO3S/c18-12-2-1-10(7-13(12)19)11-9-24-17-14(21)8-15(23-16(11)17)20-3-5-22-6-4-20/h1-2,7-9H,3-6H2
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n/an/a 100n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha (unknown origin)


J Med Chem 56: 1922-39 (2013)


Article DOI: 10.1021/jm301522m
BindingDB Entry DOI: 10.7270/Q2Z89DR9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50427484
PNG
(CHEMBL2326960)
Show SMILES O=C(Nc1cccnc1)c1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C23H19N3O4S/c27-19-12-20(26-8-10-29-11-9-26)30-21-18(14-31-22(19)21)15-3-5-16(6-4-15)23(28)25-17-2-1-7-24-13-17/h1-7,12-14H,8-11H2,(H,25,28)
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n/an/a 109n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha (unknown origin)


J Med Chem 56: 1922-39 (2013)


Article DOI: 10.1021/jm301522m
BindingDB Entry DOI: 10.7270/Q2Z89DR9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50427469
PNG
(CHEMBL2322226)
Show SMILES O=c1cc(oc2c(csc12)-c1ccsc1)N1CCOCC1
Show InChI InChI=1S/C15H13NO3S2/c17-12-7-13(16-2-4-18-5-3-16)19-14-11(9-21-15(12)14)10-1-6-20-8-10/h1,6-9H,2-5H2
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n/an/a 110n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha (unknown origin)


J Med Chem 56: 1922-39 (2013)


Article DOI: 10.1021/jm301522m
BindingDB Entry DOI: 10.7270/Q2Z89DR9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50427464
PNG
(CHEMBL2322232)
Show SMILES Clc1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C17H14ClNO3S/c18-12-3-1-11(2-4-12)13-10-23-17-14(20)9-15(22-16(13)17)19-5-7-21-8-6-19/h1-4,9-10H,5-8H2
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n/an/a 112n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha (unknown origin)


J Med Chem 56: 1922-39 (2013)


Article DOI: 10.1021/jm301522m
BindingDB Entry DOI: 10.7270/Q2Z89DR9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50427471
PNG
(CHEMBL2326971)
Show SMILES Cc1cccc(c1)-c1csc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C18H17NO3S/c1-12-3-2-4-13(9-12)14-11-23-18-15(20)10-16(22-17(14)18)19-5-7-21-8-6-19/h2-4,9-11H,5-8H2,1H3
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n/an/a 116n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha (unknown origin)


J Med Chem 56: 1922-39 (2013)


Article DOI: 10.1021/jm301522m
BindingDB Entry DOI: 10.7270/Q2Z89DR9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50427460
PNG
(CHEMBL2322236)
Show SMILES CC(=O)Nc1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C19H18N2O4S/c1-12(22)20-14-4-2-13(3-5-14)15-11-26-19-16(23)10-17(25-18(15)19)21-6-8-24-9-7-21/h2-5,10-11H,6-9H2,1H3,(H,20,22)
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n/an/a 125n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110delta (unknown origin)


J Med Chem 56: 1922-39 (2013)


Article DOI: 10.1021/jm301522m
BindingDB Entry DOI: 10.7270/Q2Z89DR9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50427477
PNG
(CHEMBL2322242)
Show SMILES O=c1cc(oc2c(csc12)-c1ccco1)N1CCOCC1
Show InChI InChI=1S/C15H13NO4S/c17-11-8-13(16-3-6-18-7-4-16)20-14-10(9-21-15(11)14)12-2-1-5-19-12/h1-2,5,8-9H,3-4,6-7H2
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n/an/a 134n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110beta (unknown origin)


J Med Chem 56: 1922-39 (2013)


Article DOI: 10.1021/jm301522m
BindingDB Entry DOI: 10.7270/Q2Z89DR9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50427463
PNG
(CHEMBL2322233)
Show SMILES Clc1ccc(cc1Cl)-c1csc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C17H13Cl2NO3S/c18-12-2-1-10(7-13(12)19)11-9-24-17-14(21)8-15(23-16(11)17)20-3-5-22-6-4-20/h1-2,7-9H,3-6H2
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n/an/a 139n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110beta (unknown origin)


J Med Chem 56: 1922-39 (2013)


Article DOI: 10.1021/jm301522m
BindingDB Entry DOI: 10.7270/Q2Z89DR9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50427466
PNG
(CHEMBL2322230)
Show SMILES O=c1cc(oc2c(Cc3ccccc3)csc12)N1CCOCC1
Show InChI InChI=1S/C18H17NO3S/c20-15-11-16(19-6-8-21-9-7-19)22-17-14(12-23-18(15)17)10-13-4-2-1-3-5-13/h1-5,11-12H,6-10H2
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n/an/a 150n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110beta (unknown origin)


J Med Chem 56: 1922-39 (2013)


Article DOI: 10.1021/jm301522m
BindingDB Entry DOI: 10.7270/Q2Z89DR9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50427476
PNG
(CHEMBL2322247 | US10308662, Compound 11 | US950578...)
Show SMILES Nc1cccc(c1)-c1csc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C17H16N2O3S/c18-12-3-1-2-11(8-12)13-10-23-17-14(20)9-15(22-16(13)17)19-4-6-21-7-5-19/h1-3,8-10H,4-7,18H2
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n/an/a 154n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha (unknown origin)


J Med Chem 56: 1922-39 (2013)


Article DOI: 10.1021/jm301522m
BindingDB Entry DOI: 10.7270/Q2Z89DR9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50427468
PNG
(CHEMBL2322227)
Show SMILES O=c1cc(oc2c(csc12)-c1ccoc1)N1CCOCC1
Show InChI InChI=1S/C15H13NO4S/c17-12-7-13(16-2-5-18-6-3-16)20-14-11(9-21-15(12)14)10-1-4-19-8-10/h1,4,7-9H,2-3,5-6H2
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n/an/a 158n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110gamma (unknown origin)


J Med Chem 56: 1922-39 (2013)


Article DOI: 10.1021/jm301522m
BindingDB Entry DOI: 10.7270/Q2Z89DR9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50427470
PNG
(CHEMBL2322225)
Show SMILES O=c1cc(oc2c(csc12)-c1ccc2[nH]ccc2c1)N1CCOCC1
Show InChI InChI=1S/C19H16N2O3S/c22-16-10-17(21-5-7-23-8-6-21)24-18-14(11-25-19(16)18)12-1-2-15-13(9-12)3-4-20-15/h1-4,9-11,20H,5-8H2
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n/an/a 161n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110beta (unknown origin)


J Med Chem 56: 1922-39 (2013)


Article DOI: 10.1021/jm301522m
BindingDB Entry DOI: 10.7270/Q2Z89DR9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50427471
PNG
(CHEMBL2326971)
Show SMILES Cc1cccc(c1)-c1csc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C18H17NO3S/c1-12-3-2-4-13(9-12)14-11-23-18-15(20)10-16(22-17(14)18)19-5-7-21-8-6-19/h2-4,9-11H,5-8H2,1H3
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n/an/a 175n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110beta (unknown origin)


J Med Chem 56: 1922-39 (2013)


Article DOI: 10.1021/jm301522m
BindingDB Entry DOI: 10.7270/Q2Z89DR9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50427466
PNG
(CHEMBL2322230)
Show SMILES O=c1cc(oc2c(Cc3ccccc3)csc12)N1CCOCC1
Show InChI InChI=1S/C18H17NO3S/c20-15-11-16(19-6-8-21-9-7-19)22-17-14(12-23-18(15)17)10-13-4-2-1-3-5-13/h1-5,11-12H,6-10H2
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n/an/a 176n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha (unknown origin)


J Med Chem 56: 1922-39 (2013)


Article DOI: 10.1021/jm301522m
BindingDB Entry DOI: 10.7270/Q2Z89DR9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50427483
PNG
(CHEMBL2326961)
Show SMILES O=C(Nc1ccncc1)c1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C23H19N3O4S/c27-19-13-20(26-9-11-29-12-10-26)30-21-18(14-31-22(19)21)15-1-3-16(4-2-15)23(28)25-17-5-7-24-8-6-17/h1-8,13-14H,9-12H2,(H,24,25,28)
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n/an/a 187n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha (unknown origin)


J Med Chem 56: 1922-39 (2013)


Article DOI: 10.1021/jm301522m
BindingDB Entry DOI: 10.7270/Q2Z89DR9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50427491
PNG
(CHEMBL2322245)
Show SMILES CN(C)c1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C19H20N2O3S/c1-20(2)14-5-3-13(4-6-14)15-12-25-19-16(22)11-17(24-18(15)19)21-7-9-23-10-8-21/h3-6,11-12H,7-10H2,1-2H3
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n/an/a 190n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110delta (unknown origin)


J Med Chem 56: 1922-39 (2013)


Article DOI: 10.1021/jm301522m
BindingDB Entry DOI: 10.7270/Q2Z89DR9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50427459
PNG
(CHEMBL2326954)
Show SMILES CNc1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C18H18N2O3S/c1-19-13-4-2-12(3-5-13)14-11-24-18-15(21)10-16(23-17(14)18)20-6-8-22-9-7-20/h2-5,10-11,19H,6-9H2,1H3
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n/an/a 195n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110beta (unknown origin)


J Med Chem 56: 1922-39 (2013)


Article DOI: 10.1021/jm301522m
BindingDB Entry DOI: 10.7270/Q2Z89DR9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50427491
PNG
(CHEMBL2322245)
Show SMILES CN(C)c1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C19H20N2O3S/c1-20(2)14-5-3-13(4-6-14)15-12-25-19-16(22)11-17(24-18(15)19)21-7-9-23-10-8-21/h3-6,11-12H,7-10H2,1-2H3
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n/an/a 211n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110gamma (unknown origin)


J Med Chem 56: 1922-39 (2013)


Article DOI: 10.1021/jm301522m
BindingDB Entry DOI: 10.7270/Q2Z89DR9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50427453
PNG
(CHEMBL2322228 | US10308662, Compound 28 | US950578...)
Show SMILES O=c1cc(oc2c(csc12)-c1ccc2OCCOc2c1)N1CCOCC1
Show InChI InChI=1S/C19H17NO5S/c21-14-10-17(20-3-5-22-6-4-20)25-18-13(11-26-19(14)18)12-1-2-15-16(9-12)24-8-7-23-15/h1-2,9-11H,3-8H2
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n/an/a 214n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110beta (unknown origin)


J Med Chem 56: 1922-39 (2013)


Article DOI: 10.1021/jm301522m
BindingDB Entry DOI: 10.7270/Q2Z89DR9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50427470
PNG
(CHEMBL2322225)
Show SMILES O=c1cc(oc2c(csc12)-c1ccc2[nH]ccc2c1)N1CCOCC1
Show InChI InChI=1S/C19H16N2O3S/c22-16-10-17(21-5-7-23-8-6-21)24-18-14(11-25-19(16)18)12-1-2-15-13(9-12)3-4-20-15/h1-4,9-11,20H,5-8H2
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n/an/a 217n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha (unknown origin)


J Med Chem 56: 1922-39 (2013)


Article DOI: 10.1021/jm301522m
BindingDB Entry DOI: 10.7270/Q2Z89DR9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50427472
PNG
(CHEMBL2326970)
Show SMILES Cc1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C18H17NO3S/c1-12-2-4-13(5-3-12)14-11-23-18-15(20)10-16(22-17(14)18)19-6-8-21-9-7-19/h2-5,10-11H,6-9H2,1H3
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n/an/a 238n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha (unknown origin)


J Med Chem 56: 1922-39 (2013)


Article DOI: 10.1021/jm301522m
BindingDB Entry DOI: 10.7270/Q2Z89DR9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50427488
PNG
(CHEMBL2326956 | US10308662, Compound 100 | US95057...)
Show SMILES OC(=O)c1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C18H15NO5S/c20-14-9-15(19-5-7-23-8-6-19)24-16-13(10-25-17(14)16)11-1-3-12(4-2-11)18(21)22/h1-4,9-10H,5-8H2,(H,21,22)
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n/an/a 240n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110beta (unknown origin)


J Med Chem 56: 1922-39 (2013)


Article DOI: 10.1021/jm301522m
BindingDB Entry DOI: 10.7270/Q2Z89DR9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50427461
PNG
(CHEMBL2322235)
Show SMILES COc1ccc(cc1)C#Cc1csc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C20H17NO4S/c1-23-16-6-3-14(4-7-16)2-5-15-13-26-20-17(22)12-18(25-19(15)20)21-8-10-24-11-9-21/h3-4,6-7,12-13H,8-11H2,1H3
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n/an/a 242n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha (unknown origin)


J Med Chem 56: 1922-39 (2013)


Article DOI: 10.1021/jm301522m
BindingDB Entry DOI: 10.7270/Q2Z89DR9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50427489
PNG
(CHEMBL2326955)
Show SMILES O=C(Nc1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1)c1cccnc1
Show InChI InChI=1S/C23H19N3O4S/c27-19-12-20(26-8-10-29-11-9-26)30-21-18(14-31-22(19)21)15-3-5-17(6-4-15)25-23(28)16-2-1-7-24-13-16/h1-7,12-14H,8-11H2,(H,25,28)
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n/an/a 244n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110beta (unknown origin)


J Med Chem 56: 1922-39 (2013)


Article DOI: 10.1021/jm301522m
BindingDB Entry DOI: 10.7270/Q2Z89DR9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50427463
PNG
(CHEMBL2322233)
Show SMILES Clc1ccc(cc1Cl)-c1csc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C17H13Cl2NO3S/c18-12-2-1-10(7-13(12)19)11-9-24-17-14(21)8-15(23-16(11)17)20-3-5-22-6-4-20/h1-2,7-9H,3-6H2
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n/an/a 278n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110delta (unknown origin)


J Med Chem 56: 1922-39 (2013)


Article DOI: 10.1021/jm301522m
BindingDB Entry DOI: 10.7270/Q2Z89DR9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50427453
PNG
(CHEMBL2322228 | US10308662, Compound 28 | US950578...)
Show SMILES O=c1cc(oc2c(csc12)-c1ccc2OCCOc2c1)N1CCOCC1
Show InChI InChI=1S/C19H17NO5S/c21-14-10-17(20-3-5-22-6-4-20)25-18-13(11-26-19(14)18)12-1-2-15-16(9-12)24-8-7-23-15/h1-2,9-11H,3-8H2
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n/an/a 289n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin)


J Med Chem 56: 1922-39 (2013)


Article DOI: 10.1021/jm301522m
BindingDB Entry DOI: 10.7270/Q2Z89DR9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50427479
PNG
(CHEMBL2322240)
Show SMILES O=c1cc(oc2c(csc12)-c1cccnc1)N1CCOCC1
Show InChI InChI=1S/C16H14N2O3S/c19-13-8-14(18-4-6-20-7-5-18)21-15-12(10-22-16(13)15)11-2-1-3-17-9-11/h1-3,8-10H,4-7H2
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n/an/a 294n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha (unknown origin)


J Med Chem 56: 1922-39 (2013)


Article DOI: 10.1021/jm301522m
BindingDB Entry DOI: 10.7270/Q2Z89DR9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50427454
PNG
(CHEMBL2322239 | US10308662, Compound 6 | US9505780...)
Show SMILES O=c1cc(oc2c(csc12)-c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C17H15NO3S/c19-14-10-15(18-6-8-20-9-7-18)21-16-13(11-22-17(14)16)12-4-2-1-3-5-12/h1-5,10-11H,6-9H2
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n/an/a 297n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha (unknown origin)


J Med Chem 56: 1922-39 (2013)


Article DOI: 10.1021/jm301522m
BindingDB Entry DOI: 10.7270/Q2Z89DR9
More data for this
Ligand-Target Pair
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