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PubMed code 26885694

Compile data set for download or QSAR
Found 34 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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50160071
PNG
(CHEMBL3787013)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1ccc(O)cc1
Show InChI InChI=1S/C18H16ClN3O4S2/c1-10-17(27-18(20-10)21-11(2)23)12-3-8-15(19)16(9-12)28(25,26)22-13-4-6-14(24)7-5-13/h3-9,22,24H,1-2H3,(H,20,21,23)
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n/an/a 4.90n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged recombinant human full length PI3Kdelta expressed in baculovirus preincubated for 15 mins followed by addition of cold...


J Med Chem 59: 1830-9 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01311
BindingDB Entry DOI: 10.7270/Q29888W5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50160071
PNG
(CHEMBL3787013)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1ccc(O)cc1
Show InChI InChI=1S/C18H16ClN3O4S2/c1-10-17(27-18(20-10)21-11(2)23)12-3-8-15(19)16(9-12)28(25,26)22-13-4-6-14(24)7-5-13/h3-9,22,24H,1-2H3,(H,20,21,23)
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n/an/a 5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged recombinant human full length PI3Kgamma expressed in insect cells preincubated for 15 mins followed by addition of col...


J Med Chem 59: 1830-9 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01311
BindingDB Entry DOI: 10.7270/Q29888W5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50042924
PNG
(CHEMBL1229535)
Show SMILES CC(=O)\N=c1\[nH]c(C)c(s1)-c1ccc(Cl)c(c1)S(=O)(=O)NCCO
Show InChI InChI=1S/C14H16ClN3O4S2/c1-8-13(23-14(17-8)18-9(2)20)10-3-4-11(15)12(7-10)24(21,22)16-5-6-19/h3-4,7,16,19H,5-6H2,1-2H3,(H,17,18,20)
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n/an/a 17n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged recombinant human full length PI3Kgamma expressed in insect cells preincubated for 15 mins followed by addition of col...


J Med Chem 59: 1830-9 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01311
BindingDB Entry DOI: 10.7270/Q29888W5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50160066
PNG
(CHEMBL3787634)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1ccc(Br)c(c1)S(=O)(=O)NCCO
Show InChI InChI=1S/C14H16BrN3O4S2/c1-8-13(23-14(17-8)18-9(2)20)10-3-4-11(15)12(7-10)24(21,22)16-5-6-19/h3-4,7,16,19H,5-6H2,1-2H3,(H,17,18,20)
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n/an/a 21n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged recombinant human full length PI3Kgamma expressed in insect cells preincubated for 15 mins followed by addition of col...


J Med Chem 59: 1830-9 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01311
BindingDB Entry DOI: 10.7270/Q29888W5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50160072
PNG
(CHEMBL3787054)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C18H15ClFN3O3S2/c1-10-17(27-18(21-10)22-11(2)24)12-3-8-15(19)16(9-12)28(25,26)23-14-6-4-13(20)5-7-14/h3-9,23H,1-2H3,(H,21,22,24)
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n/an/a 29n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged recombinant human full length PI3Kdelta expressed in baculovirus preincubated for 15 mins followed by addition of cold...


J Med Chem 59: 1830-9 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01311
BindingDB Entry DOI: 10.7270/Q29888W5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50160072
PNG
(CHEMBL3787054)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C18H15ClFN3O3S2/c1-10-17(27-18(21-10)22-11(2)24)12-3-8-15(19)16(9-12)28(25,26)23-14-6-4-13(20)5-7-14/h3-9,23H,1-2H3,(H,21,22,24)
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n/an/a 31n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged recombinant human full length PI3Kgamma expressed in insect cells preincubated for 15 mins followed by addition of col...


J Med Chem 59: 1830-9 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01311
BindingDB Entry DOI: 10.7270/Q29888W5
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM50160071
PNG
(CHEMBL3787013)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1ccc(O)cc1
Show InChI InChI=1S/C18H16ClN3O4S2/c1-10-17(27-18(20-10)21-11(2)23)12-3-8-15(19)16(9-12)28(25,26)22-13-4-6-14(24)7-5-13/h3-9,22,24H,1-2H3,(H,20,21,23)
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n/an/a 32n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human full length VPS34 expressed in baculovirus preincubated for 15 mins followed by addition of cold ATP/gamma...


J Med Chem 59: 1830-9 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01311
BindingDB Entry DOI: 10.7270/Q29888W5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50160066
PNG
(CHEMBL3787634)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1ccc(Br)c(c1)S(=O)(=O)NCCO
Show InChI InChI=1S/C14H16BrN3O4S2/c1-8-13(23-14(17-8)18-9(2)20)10-3-4-11(15)12(7-10)24(21,22)16-5-6-19/h3-4,7,16,19H,5-6H2,1-2H3,(H,17,18,20)
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n/an/a 33n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged recombinant human full length PI3Kdelta expressed in baculovirus preincubated for 15 mins followed by addition of cold...


J Med Chem 59: 1830-9 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01311
BindingDB Entry DOI: 10.7270/Q29888W5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50042924
PNG
(CHEMBL1229535)
Show SMILES CC(=O)\N=c1\[nH]c(C)c(s1)-c1ccc(Cl)c(c1)S(=O)(=O)NCCO
Show InChI InChI=1S/C14H16ClN3O4S2/c1-8-13(23-14(17-8)18-9(2)20)10-3-4-11(15)12(7-10)24(21,22)16-5-6-19/h3-4,7,16,19H,5-6H2,1-2H3,(H,17,18,20)
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n/an/a 77n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged recombinant human full length PI3Kdelta expressed in baculovirus preincubated for 15 mins followed by addition of cold...


J Med Chem 59: 1830-9 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01311
BindingDB Entry DOI: 10.7270/Q29888W5
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM50160066
PNG
(CHEMBL3787634)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1ccc(Br)c(c1)S(=O)(=O)NCCO
Show InChI InChI=1S/C14H16BrN3O4S2/c1-8-13(23-14(17-8)18-9(2)20)10-3-4-11(15)12(7-10)24(21,22)16-5-6-19/h3-4,7,16,19H,5-6H2,1-2H3,(H,17,18,20)
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n/an/a 146n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human full length VPS34 expressed in baculovirus preincubated for 15 mins followed by addition of cold ATP/gamma...


J Med Chem 59: 1830-9 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01311
BindingDB Entry DOI: 10.7270/Q29888W5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50160074
PNG
(CHEMBL3785311)
Show SMILES COc1ccc(cc1S(=O)(=O)Nc1ccc(O)cc1)-c1sc(NC(=O)C2CCCC2)nc1C
Show InChI InChI=1S/C23H25N3O5S2/c1-14-21(32-23(24-14)25-22(28)15-5-3-4-6-15)16-7-12-19(31-2)20(13-16)33(29,30)26-17-8-10-18(27)11-9-17/h7-13,15,26-27H,3-6H2,1-2H3,(H,24,25,28)
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n/an/a 152n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged recombinant human full length PI3Kdelta expressed in baculovirus preincubated for 15 mins followed by addition of cold...


J Med Chem 59: 1830-9 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01311
BindingDB Entry DOI: 10.7270/Q29888W5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50160067
PNG
(CHEMBL3786633)
Show SMILES COc1ccc(cc1S(=O)(=O)NCCO)-c1sc(NC(C)=O)nc1C
Show InChI InChI=1S/C15H19N3O5S2/c1-9-14(24-15(17-9)18-10(2)20)11-4-5-12(23-3)13(8-11)25(21,22)16-6-7-19/h4-5,8,16,19H,6-7H2,1-3H3,(H,17,18,20)
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n/an/a 181n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged recombinant human full length PI3Kgamma expressed in insect cells preincubated for 15 mins followed by addition of col...


J Med Chem 59: 1830-9 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01311
BindingDB Entry DOI: 10.7270/Q29888W5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50160067
PNG
(CHEMBL3786633)
Show SMILES COc1ccc(cc1S(=O)(=O)NCCO)-c1sc(NC(C)=O)nc1C
Show InChI InChI=1S/C15H19N3O5S2/c1-9-14(24-15(17-9)18-10(2)20)11-4-5-12(23-3)13(8-11)25(21,22)16-6-7-19/h4-5,8,16,19H,6-7H2,1-3H3,(H,17,18,20)
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n/an/a 223n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged recombinant human full length PI3Kdelta expressed in baculovirus preincubated for 15 mins followed by addition of cold...


J Med Chem 59: 1830-9 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01311
BindingDB Entry DOI: 10.7270/Q29888W5
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM50160072
PNG
(CHEMBL3787054)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C18H15ClFN3O3S2/c1-10-17(27-18(21-10)22-11(2)24)12-3-8-15(19)16(9-12)28(25,26)23-14-6-4-13(20)5-7-14/h3-9,23H,1-2H3,(H,21,22,24)
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n/an/a 245n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human full length VPS34 expressed in baculovirus preincubated for 15 mins followed by addition of cold ATP/gamma...


J Med Chem 59: 1830-9 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01311
BindingDB Entry DOI: 10.7270/Q29888W5
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM50042924
PNG
(CHEMBL1229535)
Show SMILES CC(=O)\N=c1\[nH]c(C)c(s1)-c1ccc(Cl)c(c1)S(=O)(=O)NCCO
Show InChI InChI=1S/C14H16ClN3O4S2/c1-8-13(23-14(17-8)18-9(2)20)10-3-4-11(15)12(7-10)24(21,22)16-5-6-19/h3-4,7,16,19H,5-6H2,1-2H3,(H,17,18,20)
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n/an/a 307n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human full length VPS34 expressed in baculovirus preincubated for 15 mins followed by addition of cold ATP/gamma...


J Med Chem 59: 1830-9 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01311
BindingDB Entry DOI: 10.7270/Q29888W5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50160070
PNG
(CHEMBL3786159)
Show SMILES Cc1nc(NC(=O)C2CCCC2)sc1-c1ccc(Cl)c(c1)S(=O)(=O)NCCO
Show InChI InChI=1S/C18H22ClN3O4S2/c1-11-16(27-18(21-11)22-17(24)12-4-2-3-5-12)13-6-7-14(19)15(10-13)28(25,26)20-8-9-23/h6-7,10,12,20,23H,2-5,8-9H2,1H3,(H,21,22,24)
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n/an/a 340n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged recombinant human full length PI3Kdelta expressed in baculovirus preincubated for 15 mins followed by addition of cold...


J Med Chem 59: 1830-9 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01311
BindingDB Entry DOI: 10.7270/Q29888W5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50160075
PNG
(CHEMBL3786230)
Show SMILES COc1ccc(cc1S(=O)(=O)Nc1ccc(O)cc1)-c1sc(NC(=O)C(C)(C)C)nc1C
Show InChI InChI=1S/C22H25N3O5S2/c1-13-19(31-21(23-13)24-20(27)22(2,3)4)14-6-11-17(30-5)18(12-14)32(28,29)25-15-7-9-16(26)10-8-15/h6-12,25-26H,1-5H3,(H,23,24,27)
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n/an/a 720n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged recombinant human full length PI3Kdelta expressed in baculovirus preincubated for 15 mins followed by addition of cold...


J Med Chem 59: 1830-9 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01311
BindingDB Entry DOI: 10.7270/Q29888W5
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase C2 domain-containing subunit gamma


(Homo sapiens (Human))
BDBM50160075
PNG
(CHEMBL3786230)
Show SMILES COc1ccc(cc1S(=O)(=O)Nc1ccc(O)cc1)-c1sc(NC(=O)C(C)(C)C)nc1C
Show InChI InChI=1S/C22H25N3O5S2/c1-13-19(31-21(23-13)24-20(27)22(2,3)4)14-6-11-17(30-5)18(12-14)32(28,29)25-15-7-9-16(26)10-8-15/h6-12,25-26H,1-5H3,(H,23,24,27)
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged recombinant human full length PI3KC2gamma expressed in baculovirus infected Sf21 insect cells preincubated for 15...


J Med Chem 59: 1830-9 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01311
BindingDB Entry DOI: 10.7270/Q29888W5
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase C2 domain-containing subunit gamma


(Homo sapiens (Human))
BDBM50160074
PNG
(CHEMBL3785311)
Show SMILES COc1ccc(cc1S(=O)(=O)Nc1ccc(O)cc1)-c1sc(NC(=O)C2CCCC2)nc1C
Show InChI InChI=1S/C23H25N3O5S2/c1-14-21(32-23(24-14)25-22(28)15-5-3-4-6-15)16-7-12-19(31-2)20(13-16)33(29,30)26-17-8-10-18(27)11-9-17/h7-13,15,26-27H,3-6H2,1-2H3,(H,24,25,28)
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged recombinant human full length PI3KC2gamma expressed in baculovirus infected Sf21 insect cells preincubated for 15...


J Med Chem 59: 1830-9 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01311
BindingDB Entry DOI: 10.7270/Q29888W5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50160074
PNG
(CHEMBL3785311)
Show SMILES COc1ccc(cc1S(=O)(=O)Nc1ccc(O)cc1)-c1sc(NC(=O)C2CCCC2)nc1C
Show InChI InChI=1S/C23H25N3O5S2/c1-14-21(32-23(24-14)25-22(28)15-5-3-4-6-15)16-7-12-19(31-2)20(13-16)33(29,30)26-17-8-10-18(27)11-9-17/h7-13,15,26-27H,3-6H2,1-2H3,(H,24,25,28)
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n/an/a 1.05E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged recombinant human full length PI3Kgamma expressed in insect cells preincubated for 15 mins followed by addition of col...


J Med Chem 59: 1830-9 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01311
BindingDB Entry DOI: 10.7270/Q29888W5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50160070
PNG
(CHEMBL3786159)
Show SMILES Cc1nc(NC(=O)C2CCCC2)sc1-c1ccc(Cl)c(c1)S(=O)(=O)NCCO
Show InChI InChI=1S/C18H22ClN3O4S2/c1-11-16(27-18(21-11)22-17(24)12-4-2-3-5-12)13-6-7-14(19)15(10-13)28(25,26)20-8-9-23/h6-7,10,12,20,23H,2-5,8-9H2,1H3,(H,21,22,24)
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged recombinant human full length PI3Kgamma expressed in insect cells preincubated for 15 mins followed by addition of col...


J Med Chem 59: 1830-9 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01311
BindingDB Entry DOI: 10.7270/Q29888W5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50160069
PNG
(CHEMBL3785630)
Show SMILES Cc1nc(NC(=O)C(C)(C)C)sc1-c1ccc(Cl)c(c1)S(=O)(=O)NCCO
Show InChI InChI=1S/C17H22ClN3O4S2/c1-10-14(26-16(20-10)21-15(23)17(2,3)4)11-5-6-12(18)13(9-11)27(24,25)19-7-8-22/h5-6,9,19,22H,7-8H2,1-4H3,(H,20,21,23)
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n/an/a 1.57E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged recombinant human full length PI3Kdelta expressed in baculovirus preincubated for 15 mins followed by addition of cold...


J Med Chem 59: 1830-9 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01311
BindingDB Entry DOI: 10.7270/Q29888W5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50160074
PNG
(CHEMBL3785311)
Show SMILES COc1ccc(cc1S(=O)(=O)Nc1ccc(O)cc1)-c1sc(NC(=O)C2CCCC2)nc1C
Show InChI InChI=1S/C23H25N3O5S2/c1-14-21(32-23(24-14)25-22(28)15-5-3-4-6-15)16-7-12-19(31-2)20(13-16)33(29,30)26-17-8-10-18(27)11-9-17/h7-13,15,26-27H,3-6H2,1-2H3,(H,24,25,28)
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of N-terminal histidine6-tagged recombinant human full length PI3Kalpha expressed in baculovirus infected Sf21 insect cells preincubated f...


J Med Chem 59: 1830-9 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01311
BindingDB Entry DOI: 10.7270/Q29888W5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50160069
PNG
(CHEMBL3785630)
Show SMILES Cc1nc(NC(=O)C(C)(C)C)sc1-c1ccc(Cl)c(c1)S(=O)(=O)NCCO
Show InChI InChI=1S/C17H22ClN3O4S2/c1-10-14(26-16(20-10)21-15(23)17(2,3)4)11-5-6-12(18)13(9-11)27(24,25)19-7-8-22/h5-6,9,19,22H,7-8H2,1-4H3,(H,20,21,23)
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n/an/a 3.70E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged recombinant human full length PI3Kgamma expressed in insect cells preincubated for 15 mins followed by addition of col...


J Med Chem 59: 1830-9 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01311
BindingDB Entry DOI: 10.7270/Q29888W5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50160075
PNG
(CHEMBL3786230)
Show SMILES COc1ccc(cc1S(=O)(=O)Nc1ccc(O)cc1)-c1sc(NC(=O)C(C)(C)C)nc1C
Show InChI InChI=1S/C22H25N3O5S2/c1-13-19(31-21(23-13)24-20(27)22(2,3)4)14-6-11-17(30-5)18(12-14)32(28,29)25-15-7-9-16(26)10-8-15/h6-12,25-26H,1-5H3,(H,23,24,27)
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of N-terminal histidine6-tagged recombinant human full length PI3Kalpha expressed in baculovirus infected Sf21 insect cells preincubated f...


J Med Chem 59: 1830-9 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01311
BindingDB Entry DOI: 10.7270/Q29888W5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50160075
PNG
(CHEMBL3786230)
Show SMILES COc1ccc(cc1S(=O)(=O)Nc1ccc(O)cc1)-c1sc(NC(=O)C(C)(C)C)nc1C
Show InChI InChI=1S/C22H25N3O5S2/c1-13-19(31-21(23-13)24-20(27)22(2,3)4)14-6-11-17(30-5)18(12-14)32(28,29)25-15-7-9-16(26)10-8-15/h6-12,25-26H,1-5H3,(H,23,24,27)
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n/an/a 2.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged recombinant human full length PI3Kgamma expressed in insect cells preincubated for 15 mins followed by addition of col...


J Med Chem 59: 1830-9 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01311
BindingDB Entry DOI: 10.7270/Q29888W5
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM50160074
PNG
(CHEMBL3785311)
Show SMILES COc1ccc(cc1S(=O)(=O)Nc1ccc(O)cc1)-c1sc(NC(=O)C2CCCC2)nc1C
Show InChI InChI=1S/C23H25N3O5S2/c1-14-21(32-23(24-14)25-22(28)15-5-3-4-6-15)16-7-12-19(31-2)20(13-16)33(29,30)26-17-8-10-18(27)11-9-17/h7-13,15,26-27H,3-6H2,1-2H3,(H,24,25,28)
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human full length VPS34 expressed in baculovirus preincubated for 15 mins followed by addition of cold ATP/gamma...


J Med Chem 59: 1830-9 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01311
BindingDB Entry DOI: 10.7270/Q29888W5
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM50160075
PNG
(CHEMBL3786230)
Show SMILES COc1ccc(cc1S(=O)(=O)Nc1ccc(O)cc1)-c1sc(NC(=O)C(C)(C)C)nc1C
Show InChI InChI=1S/C22H25N3O5S2/c1-13-19(31-21(23-13)24-20(27)22(2,3)4)14-6-11-17(30-5)18(12-14)32(28,29)25-15-7-9-16(26)10-8-15/h6-12,25-26H,1-5H3,(H,23,24,27)
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human full length VPS34 expressed in baculovirus preincubated for 15 mins followed by addition of cold ATP/gamma...


J Med Chem 59: 1830-9 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01311
BindingDB Entry DOI: 10.7270/Q29888W5
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM50160070
PNG
(CHEMBL3786159)
Show SMILES Cc1nc(NC(=O)C2CCCC2)sc1-c1ccc(Cl)c(c1)S(=O)(=O)NCCO
Show InChI InChI=1S/C18H22ClN3O4S2/c1-11-16(27-18(21-11)22-17(24)12-4-2-3-5-12)13-6-7-14(19)15(10-13)28(25,26)20-8-9-23/h6-7,10,12,20,23H,2-5,8-9H2,1H3,(H,21,22,24)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human full length VPS34 expressed in baculovirus preincubated for 15 mins followed by addition of cold ATP/gamma...


J Med Chem 59: 1830-9 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01311
BindingDB Entry DOI: 10.7270/Q29888W5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50160073
PNG
(CHEMBL3785694)
Show SMILES COc1ccc(cc1S(=O)(=O)NCCO)-c1sc(NC(=O)C(C)(C)C)nc1C
Show InChI InChI=1S/C18H25N3O5S2/c1-11-15(27-17(20-11)21-16(23)18(2,3)4)12-6-7-13(26-5)14(10-12)28(24,25)19-8-9-22/h6-7,10,19,22H,8-9H2,1-5H3,(H,20,21,23)
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n/an/a 5.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged recombinant human full length PI3Kdelta expressed in baculovirus preincubated for 15 mins followed by addition of cold...


J Med Chem 59: 1830-9 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01311
BindingDB Entry DOI: 10.7270/Q29888W5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50160073
PNG
(CHEMBL3785694)
Show SMILES COc1ccc(cc1S(=O)(=O)NCCO)-c1sc(NC(=O)C(C)(C)C)nc1C
Show InChI InChI=1S/C18H25N3O5S2/c1-11-15(27-17(20-11)21-16(23)18(2,3)4)12-6-7-13(26-5)14(10-12)28(24,25)19-8-9-22/h6-7,10,19,22H,8-9H2,1-5H3,(H,20,21,23)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged recombinant human full length PI3Kgamma expressed in insect cells preincubated for 15 mins followed by addition of col...


J Med Chem 59: 1830-9 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01311
BindingDB Entry DOI: 10.7270/Q29888W5
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM50160067
PNG
(CHEMBL3786633)
Show SMILES COc1ccc(cc1S(=O)(=O)NCCO)-c1sc(NC(C)=O)nc1C
Show InChI InChI=1S/C15H19N3O5S2/c1-9-14(24-15(17-9)18-10(2)20)11-4-5-12(23-3)13(8-11)25(21,22)16-6-7-19/h4-5,8,16,19H,6-7H2,1-3H3,(H,17,18,20)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human full length VPS34 expressed in baculovirus preincubated for 15 mins followed by addition of cold ATP/gamma...


J Med Chem 59: 1830-9 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01311
BindingDB Entry DOI: 10.7270/Q29888W5
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM50160073
PNG
(CHEMBL3785694)
Show SMILES COc1ccc(cc1S(=O)(=O)NCCO)-c1sc(NC(=O)C(C)(C)C)nc1C
Show InChI InChI=1S/C18H25N3O5S2/c1-11-15(27-17(20-11)21-16(23)18(2,3)4)12-6-7-13(26-5)14(10-12)28(24,25)19-8-9-22/h6-7,10,19,22H,8-9H2,1-5H3,(H,20,21,23)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human full length VPS34 expressed in baculovirus preincubated for 15 mins followed by addition of cold ATP/gamma...


J Med Chem 59: 1830-9 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01311
BindingDB Entry DOI: 10.7270/Q29888W5
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM50160069
PNG
(CHEMBL3785630)
Show SMILES Cc1nc(NC(=O)C(C)(C)C)sc1-c1ccc(Cl)c(c1)S(=O)(=O)NCCO
Show InChI InChI=1S/C17H22ClN3O4S2/c1-10-14(26-16(20-10)21-15(23)17(2,3)4)11-5-6-12(18)13(9-11)27(24,25)19-7-8-22/h5-6,9,19,22H,7-8H2,1-4H3,(H,20,21,23)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human full length VPS34 expressed in baculovirus preincubated for 15 mins followed by addition of cold ATP/gamma...


J Med Chem 59: 1830-9 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01311
BindingDB Entry DOI: 10.7270/Q29888W5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%