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Compile Data Set for Download or QSAR

Found 234 hits with Last Name = 'tavshanjian' and Initial = 'b'   
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 4-kinase beta


(Homo sapiens (Human))
BDBM513434
PNG
(US11091472, Compound S-230)
Show SMILES COc1ccc(cc1S(=O)(=O)Nc1ccccc1F)-c1sc(NC(=O)CC2CCOCC2)nc1C
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n/an/a<1.00E+3n/an/an/an/an/an/a


TBA

Assay Description
In some embodiments, the subject compounds inhibit a P14-kinase, as determined by a kinase activity assay, e.g., by an assay that determines the leve...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RF5Z5N
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM513435
PNG
(US11091472, Compound S-231)
Show SMILES COc1ccc(cc1S(=O)(=O)Nc1ccc(O)cc1C)-c1sc(NC(=O)CC2CCOCC2)nc1C
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In some embodiments, the subject compounds inhibit a P14-kinase, as determined by a kinase activity assay, e.g., by an assay that determines the leve...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RF5Z5N
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase alpha


(Homo sapiens (Human))
BDBM513440
PNG
(US11091472, Compound S-259)
Show SMILES COc1ncc(cc1S(=O)(=O)Nc1cccc(O)c1)-c1sc(NC(=O)CC2CCOCC2)nc1C
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Assay Description
In some embodiments, the subject compounds inhibit a P14-kinase, as determined by a kinase activity assay, e.g., by an assay that determines the leve...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RF5Z5N
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM513440
PNG
(US11091472, Compound S-259)
Show SMILES COc1ncc(cc1S(=O)(=O)Nc1cccc(O)c1)-c1sc(NC(=O)CC2CCOCC2)nc1C
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Assay Description
In some embodiments, the subject compounds inhibit a P14-kinase, as determined by a kinase activity assay, e.g., by an assay that determines the leve...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RF5Z5N
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase alpha


(Homo sapiens (Human))
BDBM513439
PNG
(US11091472, Compound S-258 | US11091472, Compound ...)
Show SMILES COc1ncc(cc1S(=O)(=O)Nc1ccc(F)cc1F)-c1sc(NC(=O)CC2CCOCC2)nc1C
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In some embodiments, the subject compounds inhibit a P14-kinase, as determined by a kinase activity assay, e.g., by an assay that determines the leve...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RF5Z5N
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM513439
PNG
(US11091472, Compound S-258 | US11091472, Compound ...)
Show SMILES COc1ncc(cc1S(=O)(=O)Nc1ccc(F)cc1F)-c1sc(NC(=O)CC2CCOCC2)nc1C
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Assay Description
In some embodiments, the subject compounds inhibit a P14-kinase, as determined by a kinase activity assay, e.g., by an assay that determines the leve...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RF5Z5N
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase alpha


(Homo sapiens (Human))
BDBM513442
PNG
(US11091472, Compound S-261)
Show SMILES COc1ncc(cc1S(=O)(=O)Nc1ccc(O)cc1)-c1sc(NC(=O)CC2CCOCC2)nc1C
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Assay Description
In some embodiments, the subject compounds inhibit a P14-kinase, as determined by a kinase activity assay, e.g., by an assay that determines the leve...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RF5Z5N
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM513442
PNG
(US11091472, Compound S-261)
Show SMILES COc1ncc(cc1S(=O)(=O)Nc1ccc(O)cc1)-c1sc(NC(=O)CC2CCOCC2)nc1C
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Assay Description
In some embodiments, the subject compounds inhibit a P14-kinase, as determined by a kinase activity assay, e.g., by an assay that determines the leve...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RF5Z5N
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase alpha


(Homo sapiens (Human))
BDBM513443
PNG
(US11091472, Compound S-262)
Show SMILES COc1ncc(cc1S(=O)(=O)N[C@@H]1CC[C@H](O)CC1)-c1sc(NC(=O)CC2CCOCC2)nc1C |r,wU:12.12,15.16,(-8.95,-1.08,;-7.77,-2.07,;-6.44,-1.3,;-6.44,.24,;-5.11,1.01,;-3.77,.24,;-3.77,-1.3,;-5.11,-2.07,;-5.11,-3.61,;-6.65,-3.61,;-5.5,-5.1,;-3.77,-4.38,;-2.23,-4.38,;-1.46,-5.72,;.08,-5.72,;.85,-4.38,;2.39,-4.38,;.08,-3.05,;-1.46,-3.05,;-2.44,1.01,;-1.03,.38,;-0,1.52,;1.53,1.36,;2.62,2.45,;2.22,3.94,;4.11,2.05,;5.2,3.14,;6.68,2.74,;7.77,3.83,;7.37,5.32,;5.89,5.72,;4.8,4.63,;-.77,2.86,;-2.28,2.54,;-3.42,3.57,)|
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In some embodiments, the subject compounds inhibit a P14-kinase, as determined by a kinase activity assay, e.g., by an assay that determines the leve...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RF5Z5N
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM513443
PNG
(US11091472, Compound S-262)
Show SMILES COc1ncc(cc1S(=O)(=O)N[C@@H]1CC[C@H](O)CC1)-c1sc(NC(=O)CC2CCOCC2)nc1C |r,wU:12.12,15.16,(-8.95,-1.08,;-7.77,-2.07,;-6.44,-1.3,;-6.44,.24,;-5.11,1.01,;-3.77,.24,;-3.77,-1.3,;-5.11,-2.07,;-5.11,-3.61,;-6.65,-3.61,;-5.5,-5.1,;-3.77,-4.38,;-2.23,-4.38,;-1.46,-5.72,;.08,-5.72,;.85,-4.38,;2.39,-4.38,;.08,-3.05,;-1.46,-3.05,;-2.44,1.01,;-1.03,.38,;-0,1.52,;1.53,1.36,;2.62,2.45,;2.22,3.94,;4.11,2.05,;5.2,3.14,;6.68,2.74,;7.77,3.83,;7.37,5.32,;5.89,5.72,;4.8,4.63,;-.77,2.86,;-2.28,2.54,;-3.42,3.57,)|
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Assay Description
In some embodiments, the subject compounds inhibit a P14-kinase, as determined by a kinase activity assay, e.g., by an assay that determines the leve...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RF5Z5N
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase alpha


(Homo sapiens (Human))
BDBM513444
PNG
(US11091472, Compound S-263)
Show SMILES COc1ncc(cc1S(=O)(=O)NC1CCCC(O)C1)-c1sc(NC(=O)CC2CCOCC2)nc1C
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Assay Description
In some embodiments, the subject compounds inhibit a P14-kinase, as determined by a kinase activity assay, e.g., by an assay that determines the leve...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RF5Z5N
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM513444
PNG
(US11091472, Compound S-263)
Show SMILES COc1ncc(cc1S(=O)(=O)NC1CCCC(O)C1)-c1sc(NC(=O)CC2CCOCC2)nc1C
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In some embodiments, the subject compounds inhibit a P14-kinase, as determined by a kinase activity assay, e.g., by an assay that determines the leve...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RF5Z5N
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase alpha


(Homo sapiens (Human))
BDBM513445
PNG
(US11091472, Compound S-265)
Show SMILES COc1ncc(cc1S(=O)(=O)Nc1cccc(c1)C(O)=O)-c1sc(NC(=O)CC2CCOCC2)nc1C
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In some embodiments, the subject compounds inhibit a P14-kinase, as determined by a kinase activity assay, e.g., by an assay that determines the leve...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RF5Z5N
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM513445
PNG
(US11091472, Compound S-265)
Show SMILES COc1ncc(cc1S(=O)(=O)Nc1cccc(c1)C(O)=O)-c1sc(NC(=O)CC2CCOCC2)nc1C
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Assay Description
In some embodiments, the subject compounds inhibit a P14-kinase, as determined by a kinase activity assay, e.g., by an assay that determines the leve...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RF5Z5N
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 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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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-kinase beta


(Homo sapiens (Human))
BDBM513328
PNG
(US11091472, Compound S-1)
Show SMILES COc1ccc(cc1S(=O)(=O)Nc1ccc(O)cc1)-c1sc(NC(=O)CC2CCCC2)nc1C
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Assay Description
In some embodiments, the subject compounds inhibit a P14-kinase, as determined by a kinase activity assay, e.g., by an assay that determines the leve...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RF5Z5N
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase C2 domain-containing subunit gamma


(Homo sapiens (Human))
BDBM513328
PNG
(US11091472, Compound S-1)
Show SMILES COc1ccc(cc1S(=O)(=O)Nc1ccc(O)cc1)-c1sc(NC(=O)CC2CCCC2)nc1C
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Assay Description
In some embodiments, the subject compounds inhibit a P14-kinase, as determined by a kinase activity assay, e.g., by an assay that determines the leve...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RF5Z5N
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM513330
PNG
(US11091472, Compound S-9)
Show SMILES COc1ccc(cc1S(=O)(=O)N[C@H]1CC[C@H](O)CC1)-c1sc(NC(=O)C2CCCC2)nc1C |r,wU:12.12,wD:15.16,(-8.36,-.2,;-7.18,-1.18,;-5.85,-.41,;-5.85,1.13,;-4.52,1.9,;-3.18,1.13,;-3.18,-.41,;-4.52,-1.18,;-4.52,-2.72,;-6.06,-2.72,;-4.92,-4.21,;-3.18,-3.49,;-1.64,-3.49,;-.87,-2.16,;.67,-2.16,;1.44,-3.49,;2.98,-3.49,;.67,-4.83,;-.87,-4.83,;-1.85,1.9,;-.44,1.27,;.59,2.41,;2.12,2.25,;3.21,3.34,;2.81,4.83,;4.7,2.94,;5.25,1.5,;6.79,1.59,;7.18,3.07,;5.89,3.91,;-.18,3.75,;-1.69,3.43,;-2.83,4.46,)|
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Assay Description
In some embodiments, the subject compounds inhibit a P14-kinase, as determined by a kinase activity assay, e.g., by an assay that determines the leve...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RF5Z5N
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM513338
PNG
(US11091472, Compound S-41)
Show SMILES COc1ccc(cc1S(=O)(=O)Nc1ccc(CO)cc1)-c1sc(NC(=O)C2CCCC2)nc1C
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Assay Description
In some embodiments, the subject compounds inhibit a P14-kinase, as determined by a kinase activity assay, e.g., by an assay that determines the leve...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RF5Z5N
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM513341
PNG
(US11091472, Compound S-49)
Show SMILES COc1ccc(cc1S(=O)(=O)Nc1ccc(O)cc1)-c1sc(NC(=O)Cc2ccccc2)nc1C
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Assay Description
In some embodiments, the subject compounds inhibit a P14-kinase, as determined by a kinase activity assay, e.g., by an assay that determines the leve...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RF5Z5N
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM513352
PNG
(US11091472, Compound S-98)
Show SMILES COc1ccc(cc1S(=O)(=O)Nc1c(C)cccc1C)-c1sc(NC2CCCCCC2)nc1C
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Assay Description
In some embodiments, the subject compounds inhibit a P14-kinase, as determined by a kinase activity assay, e.g., by an assay that determines the leve...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RF5Z5N
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM513360
PNG
(US11091472, Compound S-115)
Show SMILES COc1ccc(cc1S(=O)(=O)NC1CCCNC1)-c1sc(NCC2CCCCC2)nc1C
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Assay Description
In some embodiments, the subject compounds inhibit a P14-kinase, as determined by a kinase activity assay, e.g., by an assay that determines the leve...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RF5Z5N
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM513365
PNG
(US11091472, Compound S-123)
Show SMILES COc1ccc(cc1S(=O)(=O)NC1CCNCC1)-c1sc(NCC2CCCCC2)nc1C
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Assay Description
In some embodiments, the subject compounds inhibit a P14-kinase, as determined by a kinase activity assay, e.g., by an assay that determines the leve...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RF5Z5N
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM513370
PNG
(US11091472, Compound S-133)
Show SMILES COc1ccc(cc1S(=O)(=O)NC1CCN(CC1)C1CCCC1)-c1sc(NCC2CCCCC2)nc1C
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Assay Description
In some embodiments, the subject compounds inhibit a P14-kinase, as determined by a kinase activity assay, e.g., by an assay that determines the leve...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RF5Z5N
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM513371
PNG
(US11091472, Compound S-134)
Show SMILES COc1ccc(cc1S(=O)(=O)NC1CCN(CC1)C(C)C)-c1sc(NCC2CCCCC2)nc1C
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Assay Description
In some embodiments, the subject compounds inhibit a P14-kinase, as determined by a kinase activity assay, e.g., by an assay that determines the leve...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RF5Z5N
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM513372
PNG
(US11091472, Compound S-135)
Show SMILES COc1ccc(cc1S(=O)(=O)NC1CCN(CC1)C1CC1)-c1sc(NCC2CCCCC2)nc1C
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Assay Description
In some embodiments, the subject compounds inhibit a P14-kinase, as determined by a kinase activity assay, e.g., by an assay that determines the leve...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RF5Z5N
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM513373
PNG
(US11091472, Compound S-136)
Show SMILES COc1ccc(cc1S(=O)(=O)NC1CCN(CC1)C1CCCCC1)-c1sc(NCC2CCCCC2)nc1C
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Assay Description
In some embodiments, the subject compounds inhibit a P14-kinase, as determined by a kinase activity assay, e.g., by an assay that determines the leve...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RF5Z5N
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM513375
PNG
(US11091472, Compound S-145)
Show SMILES COc1ccc(cc1S(=O)(=O)NC1CCNCC1)-c1sc(N[C@H](C)CC2CCCCC2)nc1C |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a


TBA

Assay Description
In some embodiments, the subject compounds inhibit a P14-kinase, as determined by a kinase activity assay, e.g., by an assay that determines the leve...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RF5Z5N
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM513377
PNG
(US11091472, Compound S-147)
Show SMILES COc1ccc(cc1S(=O)(=O)NC1CCNCC1)-c1sc(N[C@H](C)C2CCCCC2)nc1C |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a


TBA

Assay Description
In some embodiments, the subject compounds inhibit a P14-kinase, as determined by a kinase activity assay, e.g., by an assay that determines the leve...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RF5Z5N
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM513378
PNG
(US11091472, Compound S-148)
Show SMILES COc1ccc(cc1S(=O)(=O)NC1CCCNC1)-c1sc(N[C@H](C)C2CCCCC2)nc1C |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a


TBA

Assay Description
In some embodiments, the subject compounds inhibit a P14-kinase, as determined by a kinase activity assay, e.g., by an assay that determines the leve...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RF5Z5N
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM513379
PNG
(US11091472, Compound S-149)
Show SMILES COc1ccc(cc1S(=O)(=O)N[C@H]1CCC[C@@H](O)C1)-c1sc(NC(=O)CC2CCCC2)nc1C |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a


TBA

Assay Description
In some embodiments, the subject compounds inhibit a P14-kinase, as determined by a kinase activity assay, e.g., by an assay that determines the leve...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RF5Z5N
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM513381
PNG
(US11091472, Compound S-151)
Show SMILES COc1ccc(cc1S(=O)(=O)N[C@H]1CC[C@H](O)CC1)-c1sc(NC(=O)CC2CCCC2)nc1C |r,wU:12.12,wD:15.16,(-8.77,-.91,;-7.59,-1.9,;-6.26,-1.13,;-6.26,.41,;-4.93,1.18,;-3.59,.41,;-3.59,-1.13,;-4.93,-1.9,;-4.93,-3.44,;-6.47,-3.44,;-5.33,-4.92,;-3.59,-4.21,;-2.05,-4.21,;-1.28,-2.87,;.26,-2.87,;1.03,-4.21,;2.57,-4.21,;.26,-5.54,;-1.28,-5.54,;-2.26,1.18,;-.85,.56,;.18,1.7,;1.71,1.54,;2.8,2.63,;2.4,4.12,;4.29,2.23,;5.37,3.32,;6.9,3.08,;7.59,4.45,;6.51,5.54,;5.13,4.84,;-.59,3.04,;-2.1,2.72,;-3.24,3.75,)|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a


TBA

Assay Description
In some embodiments, the subject compounds inhibit a P14-kinase, as determined by a kinase activity assay, e.g., by an assay that determines the leve...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RF5Z5N
More data for this
Ligand-Target Pair
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