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Compile Data Set for Download or QSAR

Found 4280 hits with Last Name = 'mcgee' and Initial = 'lr'   
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/gamma isoform


(Homo sapiens (Human))
BDBM50403096
PNG
(CHEMBL2216895)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2n1-c1ccccc1 |r|
Show InChI InChI=1S/C20H16FN7/c1-12(26-19-15(10-22)18(23)24-11-25-19)20-27-16-8-7-13(21)9-17(16)28(20)14-5-3-2-4-6-14/h2-9,11-12H,1H3,(H3,23,24,25,26)/t12-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta


J Med Chem 55: 8559-81 (2012)


Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50403075
PNG
(CHEMBL2216902)
Show SMILES CC(C)c1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(OC3CN(C3)C3CCS(=O)(=O)CC3)n(C)c2n1
Show InChI InChI=1S/C28H36N8O4S/c1-18(2)24-29-21-6-4-5-7-22(21)36(24)27-31-25-23(26(32-27)34-10-12-39-13-11-34)30-28(33(25)3)40-20-16-35(17-20)19-8-14-41(37,38)15-9-19/h4-7,18-20H,8-17H2,1-3H3
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0.460n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta


J Med Chem 55: 8559-81 (2012)


Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50403074
PNG
(CHEMBL2216903)
Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(OC3CN(C3)C(=O)C(C)C)n(C)c2n1
Show InChI InChI=1S/C26H32N8O3/c1-5-20-27-18-8-6-7-9-19(18)34(20)25-29-22-21(23(30-25)32-10-12-36-13-11-32)28-26(31(22)4)37-17-14-33(15-17)24(35)16(2)3/h6-9,16-17H,5,10-15H2,1-4H3
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0.576n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta


J Med Chem 55: 8559-81 (2012)


Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50403100
PNG
(CHEMBL2216891 | US8765940, 4-(3,3-dimethyl-6-(4-mo...)
Show SMILES Cc1ccc(c(c1)-c1nc2cc(F)cc(F)c2c(N2CC(C)(C)c3ncc(cc23)N2CCOCC2)c1C)S(C)(=O)=O
Show InChI InChI=1S/C31H32F2N4O3S/c1-18-6-7-26(41(5,38)39)22(12-18)28-19(2)29(27-23(33)13-20(32)14-24(27)35-28)37-17-31(3,4)30-25(37)15-21(16-34-30)36-8-10-40-11-9-36/h6-7,12-16H,8-11,17H2,1-5H3
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1.10n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta


J Med Chem 55: 8559-81 (2012)


Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50403099
PNG
(CHEMBL2216892)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(NCCS(C)(=O)=O)c1-c1ccccc1 |r|
Show InChI InChI=1S/C25H24FN7O2S/c1-15(32-25-19(13-27)24(28)30-14-31-25)22-21(16-6-4-3-5-7-16)23(29-10-11-36(2,34)35)18-12-17(26)8-9-20(18)33-22/h3-9,12,14-15H,10-11H2,1-2H3,(H,29,33)(H3,28,30,31,32)/t15-/m0/s1
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2.30n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta


J Med Chem 55: 8559-81 (2012)


Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50403101
PNG
(CHEMBL2216890)
Show SMILES Cc1c(Nc2cc(cnc2-c2ccc(O)cc2)N2CCOCC2)c2c(F)cc(F)cc2nc1-c1ccccn1
Show InChI InChI=1S/C30H25F2N5O2/c1-18-28(24-4-2-3-9-33-24)35-25-15-20(31)14-23(32)27(25)29(18)36-26-16-21(37-10-12-39-13-11-37)17-34-30(26)19-5-7-22(38)8-6-19/h2-9,14-17,38H,10-13H2,1H3,(H,35,36)
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2.90n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta


J Med Chem 55: 8559-81 (2012)


Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50403085
PNG
(CHEMBL2216848)
Show SMILES CCOC(=O)CCNC(=O)Nc1nc2CCN(Cc2s1)c1cnc(Cl)c(OC)c1
Show InChI InChI=1S/C18H22ClN5O4S/c1-3-28-15(25)4-6-20-17(26)23-18-22-12-5-7-24(10-14(12)29-18)11-8-13(27-2)16(19)21-9-11/h8-9H,3-7,10H2,1-2H3,(H2,20,22,23,26)
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3n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta


J Med Chem 55: 8559-81 (2012)


Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50396616
PNG
(CHEMBL2171930 | US8765940, 4-(1-(7-fluoro-3-methyl...)
Show SMILES Cc1c(nc2cc(F)ccc2c1N1CC(C)(C)c2ncc(cc12)-c1ccnc(N)n1)-c1ccccn1
Show InChI InChI=1S/C28H24FN7/c1-16-24(21-6-4-5-10-31-21)34-22-13-18(29)7-8-19(22)25(16)36-15-28(2,3)26-23(36)12-17(14-33-26)20-9-11-32-27(30)35-20/h4-14H,15H2,1-3H3,(H2,30,32,35)
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3n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta using phosphatidylinositol-4,5-bisphosphate by ATP bioluminescence assay


J Med Chem 55: 7667-85 (2012)


Article DOI: 10.1021/jm300679u
BindingDB Entry DOI: 10.7270/Q2J38TQ0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50403083
PNG
(CHEMBL2216850)
Show SMILES CCN(CC)C(=O)c1cccc(Nc2nc3ccc(cc3s2)-c2cncc(OC)c2)n1
Show InChI InChI=1S/C23H23N5O2S/c1-4-28(5-2)22(29)19-7-6-8-21(25-19)27-23-26-18-10-9-15(12-20(18)31-23)16-11-17(30-3)14-24-13-16/h6-14H,4-5H2,1-3H3,(H,25,26,27)
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3n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta


J Med Chem 55: 8559-81 (2012)


Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50229378
PNG
((R)-N-(1-(3-(4-cyanophenyl)H-imidazo[1,2-a]pyridin...)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc2ccccn2c1-c1ccc(cc1)C#N)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C29H26F4N4O3S/c1-3-41(39,40)15-14-36(26(38)17-21-9-12-24(30)23(16-21)29(31,32)33)19(2)27-28(22-10-7-20(18-34)8-11-22)37-13-5-4-6-25(37)35-27/h4-13,16,19H,3,14-15,17H2,1-2H3/t19-/m1/s1
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3n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-IP-10 from CXCR3 receptor expressed in human PBMC in RPMI-1640 buffer supplemented with 0.5% BSA


Bioorg Med Chem Lett 18: 688-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.060
BindingDB Entry DOI: 10.7270/Q2WQ03HW
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50403076
PNG
(CHEMBL2216901)
Show SMILES CN(C)C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ccc23)CC1
Show InChI InChI=1S/C26H32N6OS/c1-30(2)18-7-10-31(11-8-18)17-19-16-23-24(34-19)26(32-12-14-33-15-13-32)29-25(28-23)21-4-3-5-22-20(21)6-9-27-22/h3-6,9,16,18,27H,7-8,10-15,17H2,1-2H3
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4.90n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta


J Med Chem 55: 8559-81 (2012)


Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50403098
PNG
(CHEMBL2216893 | US8754089, 4-amino-6-(((1S)-1-(6-m...)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(C)n2c(=O)c1-c1ccccc1 |r|
Show InChI InChI=1S/C22H19N7O/c1-13-7-6-10-17-28-19(14(2)27-21-16(11-23)20(24)25-12-26-21)18(22(30)29(13)17)15-8-4-3-5-9-15/h3-10,12,14H,1-2H3,(H3,24,25,26,27)/t14-/m0/s1
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5n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta


J Med Chem 55: 8559-81 (2012)


Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50403092
PNG
(CHEMBL2216871 | US8691829, 4a)
Show SMILES CC(c1nc2cccc(C)c2c(=O)n1-c1ccccc1)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C22H19N7O/c1-13-7-6-10-16-17(13)22(30)29(15-8-4-3-5-9-15)20(27-16)14(2)28-12-26-18-19(23)24-11-25-21(18)28/h3-12,14H,1-2H3,(H2,23,24,25)
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7n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta


J Med Chem 55: 8559-81 (2012)


Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50396610
PNG
(CHEMBL2171929 | US8765940, 4-(3,3-dimethyl-6-(4-mo...)
Show SMILES Cc1c(nc2cc(F)ccc2c1N1CC(C)(C)c2ncc(cc12)N1CCOCC1)-c1ccccn1
Show InChI InChI=1S/C28H28FN5O/c1-18-25(22-6-4-5-9-30-22)32-23-14-19(29)7-8-21(23)26(18)34-17-28(2,3)27-24(34)15-20(16-31-27)33-10-12-35-13-11-33/h4-9,14-16H,10-13,17H2,1-3H3
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7n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta using phosphatidylinositol-4,5-bisphosphate by ATP bioluminescence assay


J Med Chem 55: 7667-85 (2012)


Article DOI: 10.1021/jm300679u
BindingDB Entry DOI: 10.7270/Q2J38TQ0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM28681
PNG
(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)
Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1
Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23)
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10n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from GST-tagged PPARgammaLBD (unknown origin) after 1 hr by scintillation proximity assay


Bioorg Med Chem 21: 979-92 (2013)


Article DOI: 10.1016/j.bmc.2012.11.058
BindingDB Entry DOI: 10.7270/Q23F4R13
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50396611
PNG
(CHEMBL2171927 | US8765940, 4-(1-(7-fluoro-3-methyl...)
Show SMILES Cc1c(nc2cc(F)ccc2c1N1CC(C)(C)c2ccc(cc12)-c1ccnc(N)n1)-c1ccccn1
Show InChI InChI=1S/C29H25FN6/c1-17-26(23-6-4-5-12-32-23)34-24-15-19(30)8-9-20(24)27(17)36-16-29(2,3)21-10-7-18(14-25(21)36)22-11-13-33-28(31)35-22/h4-15H,16H2,1-3H3,(H2,31,33,35)
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10n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta using phosphatidylinositol-4,5-bisphosphate by ATP bioluminescence assay


J Med Chem 55: 7667-85 (2012)


Article DOI: 10.1021/jm300679u
BindingDB Entry DOI: 10.7270/Q2J38TQ0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50403084
PNG
(CHEMBL2216849)
Show SMILES CCNC(=O)Nc1nc2ccc(cc2s1)-c1cncc(c1)C(F)(F)F
Show InChI InChI=1S/C16H13F3N4OS/c1-2-21-14(24)23-15-22-12-4-3-9(6-13(12)25-15)10-5-11(8-20-7-10)16(17,18)19/h3-8H,2H2,1H3,(H2,21,22,23,24)
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10n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta


J Med Chem 55: 8559-81 (2012)


Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50396614
PNG
(CHEMBL2171931 | US8765940, 1'-(7-fluoro-3-meth...)
Show SMILES Cc1c(nc2cc(F)ccc2c1N1CC2(CCOCC2)c2ncc(cc12)N1CCOCC1)-c1ccccn1
Show InChI InChI=1S/C30H30FN5O2/c1-20-27(24-4-2-3-9-32-24)34-25-16-21(31)5-6-23(25)28(20)36-19-30(7-12-37-13-8-30)29-26(36)17-22(18-33-29)35-10-14-38-15-11-35/h2-6,9,16-18H,7-8,10-15,19H2,1H3
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11n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta using phosphatidylinositol-4,5-bisphosphate by ATP bioluminescence assay


J Med Chem 55: 7667-85 (2012)


Article DOI: 10.1021/jm300679u
BindingDB Entry DOI: 10.7270/Q2J38TQ0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50396616
PNG
(CHEMBL2171930 | US8765940, 4-(1-(7-fluoro-3-methyl...)
Show SMILES Cc1c(nc2cc(F)ccc2c1N1CC(C)(C)c2ncc(cc12)-c1ccnc(N)n1)-c1ccccn1
Show InChI InChI=1S/C28H24FN7/c1-16-24(21-6-4-5-10-31-21)34-22-13-18(29)7-8-19(22)25(16)36-15-28(2,3)26-23(36)12-17(14-33-26)20-9-11-32-27(30)35-20/h4-14H,15H2,1-3H3,(H2,30,32,35)
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18n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta using phosphatidylinositol-4,5-bisphosphate by ATP bioluminescence assay


J Med Chem 55: 7667-85 (2012)


Article DOI: 10.1021/jm300679u
BindingDB Entry DOI: 10.7270/Q2J38TQ0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50396616
PNG
(CHEMBL2171930 | US8765940, 4-(1-(7-fluoro-3-methyl...)
Show SMILES Cc1c(nc2cc(F)ccc2c1N1CC(C)(C)c2ncc(cc12)-c1ccnc(N)n1)-c1ccccn1
Show InChI InChI=1S/C28H24FN7/c1-16-24(21-6-4-5-10-31-21)34-22-13-18(29)7-8-19(22)25(16)36-15-28(2,3)26-23(36)12-17(14-33-26)20-9-11-32-27(30)35-20/h4-14H,15H2,1-3H3,(H2,30,32,35)
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28n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma by ATP bioluminescence assay


J Med Chem 55: 7667-85 (2012)


Article DOI: 10.1021/jm300679u
BindingDB Entry DOI: 10.7270/Q2J38TQ0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50396610
PNG
(CHEMBL2171929 | US8765940, 4-(3,3-dimethyl-6-(4-mo...)
Show SMILES Cc1c(nc2cc(F)ccc2c1N1CC(C)(C)c2ncc(cc12)N1CCOCC1)-c1ccccn1
Show InChI InChI=1S/C28H28FN5O/c1-18-25(22-6-4-5-9-30-22)32-23-14-19(29)7-8-21(23)26(18)34-17-28(2,3)27-24(34)15-20(16-31-27)33-10-12-35-13-11-33/h4-9,14-16H,10-13,17H2,1-3H3
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30n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta using phosphatidylinositol-4,5-bisphosphate by ATP bioluminescence assay


J Med Chem 55: 7667-85 (2012)


Article DOI: 10.1021/jm300679u
BindingDB Entry DOI: 10.7270/Q2J38TQ0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50396614
PNG
(CHEMBL2171931 | US8765940, 1'-(7-fluoro-3-meth...)
Show SMILES Cc1c(nc2cc(F)ccc2c1N1CC2(CCOCC2)c2ncc(cc12)N1CCOCC1)-c1ccccn1
Show InChI InChI=1S/C30H30FN5O2/c1-20-27(24-4-2-3-9-32-24)34-25-16-21(31)5-6-23(25)28(20)36-19-30(7-12-37-13-8-30)29-26(36)17-22(18-33-29)35-10-14-38-15-11-35/h2-6,9,16-18H,7-8,10-15,19H2,1H3
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44n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta using phosphatidylinositol-4,5-bisphosphate by ATP bioluminescence assay


J Med Chem 55: 7667-85 (2012)


Article DOI: 10.1021/jm300679u
BindingDB Entry DOI: 10.7270/Q2J38TQ0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50396611
PNG
(CHEMBL2171927 | US8765940, 4-(1-(7-fluoro-3-methyl...)
Show SMILES Cc1c(nc2cc(F)ccc2c1N1CC(C)(C)c2ccc(cc12)-c1ccnc(N)n1)-c1ccccn1
Show InChI InChI=1S/C29H25FN6/c1-17-26(23-6-4-5-12-32-23)34-24-15-19(30)8-9-20(24)27(17)36-16-29(2,3)21-10-7-18(14-25(21)36)22-11-13-33-28(31)35-22/h4-15H,16H2,1-3H3,(H2,31,33,35)
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54n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta using phosphatidylinositol-4,5-bisphosphate by ATP bioluminescence assay


J Med Chem 55: 7667-85 (2012)


Article DOI: 10.1021/jm300679u
BindingDB Entry DOI: 10.7270/Q2J38TQ0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50396613
PNG
(CHEMBL2171924 | US8765940, 1-(7-fluoro-3-methyl-2-...)
Show SMILES Cc1c(nc2cc(F)ccc2c1N1CC2(CS(=O)(=O)C2)c2ccc(cc12)N1CCOCC1)-c1ccccn1
Show InChI InChI=1S/C29H27FN4O3S/c1-19-27(24-4-2-3-9-31-24)32-25-14-20(30)5-7-22(25)28(19)34-16-29(17-38(35,36)18-29)23-8-6-21(15-26(23)34)33-10-12-37-13-11-33/h2-9,14-15H,10-13,16-18H2,1H3
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80n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta using phosphatidylinositol-4,5-bisphosphate by ATP bioluminescence assay


J Med Chem 55: 7667-85 (2012)


Article DOI: 10.1021/jm300679u
BindingDB Entry DOI: 10.7270/Q2J38TQ0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50396611
PNG
(CHEMBL2171927 | US8765940, 4-(1-(7-fluoro-3-methyl...)
Show SMILES Cc1c(nc2cc(F)ccc2c1N1CC(C)(C)c2ccc(cc12)-c1ccnc(N)n1)-c1ccccn1
Show InChI InChI=1S/C29H25FN6/c1-17-26(23-6-4-5-12-32-23)34-24-15-19(30)8-9-20(24)27(17)36-16-29(2,3)21-10-7-18(14-25(21)36)22-11-13-33-28(31)35-22/h4-15H,16H2,1-3H3,(H2,31,33,35)
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90n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma by ATP bioluminescence assay


J Med Chem 55: 7667-85 (2012)


Article DOI: 10.1021/jm300679u
BindingDB Entry DOI: 10.7270/Q2J38TQ0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50396610
PNG
(CHEMBL2171929 | US8765940, 4-(3,3-dimethyl-6-(4-mo...)
Show SMILES Cc1c(nc2cc(F)ccc2c1N1CC(C)(C)c2ncc(cc12)N1CCOCC1)-c1ccccn1
Show InChI InChI=1S/C28H28FN5O/c1-18-25(22-6-4-5-9-30-22)32-23-14-19(29)7-8-21(23)26(18)34-17-28(2,3)27-24(34)15-20(16-31-27)33-10-12-35-13-11-33/h4-9,14-16H,10-13,17H2,1-3H3
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92n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma by ATP bioluminescence assay


J Med Chem 55: 7667-85 (2012)


Article DOI: 10.1021/jm300679u
BindingDB Entry DOI: 10.7270/Q2J38TQ0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50403086
PNG
(CHEMBL2216847)
Show SMILES CC(=O)NCCNS(=O)(=O)c1ccc(o1)-c1sc(NC(C)=O)nc1C
Show InChI InChI=1S/C14H18N4O5S2/c1-8-13(24-14(17-8)18-10(3)20)11-4-5-12(23-11)25(21,22)16-7-6-15-9(2)19/h4-5,16H,6-7H2,1-3H3,(H,15,19)(H,17,18,20)
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100n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta


J Med Chem 55: 8559-81 (2012)


Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50396617
PNG
(CHEMBL2171925 | US8765940, (1-(7-fluoro-3-methyl-2...)
Show SMILES Cc1c(nc2cc(F)ccc2c1N1CC(CO)(CO)c2ccc(cc12)N1CCOCC1)-c1ccccn1
Show InChI InChI=1S/C29H29FN4O3/c1-19-27(24-4-2-3-9-31-24)32-25-14-20(30)5-7-22(25)28(19)34-16-29(17-35,18-36)23-8-6-21(15-26(23)34)33-10-12-37-13-11-33/h2-9,14-15,35-36H,10-13,16-18H2,1H3
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154n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta using phosphatidylinositol-4,5-bisphosphate by ATP bioluminescence assay


J Med Chem 55: 7667-85 (2012)


Article DOI: 10.1021/jm300679u
BindingDB Entry DOI: 10.7270/Q2J38TQ0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50396617
PNG
(CHEMBL2171925 | US8765940, (1-(7-fluoro-3-methyl-2...)
Show SMILES Cc1c(nc2cc(F)ccc2c1N1CC(CO)(CO)c2ccc(cc12)N1CCOCC1)-c1ccccn1
Show InChI InChI=1S/C29H29FN4O3/c1-19-27(24-4-2-3-9-31-24)32-25-14-20(30)5-7-22(25)28(19)34-16-29(17-35,18-36)23-8-6-21(15-26(23)34)33-10-12-37-13-11-33/h2-9,14-15,35-36H,10-13,16-18H2,1H3
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269n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta using phosphatidylinositol-4,5-bisphosphate by ATP bioluminescence assay


J Med Chem 55: 7667-85 (2012)


Article DOI: 10.1021/jm300679u
BindingDB Entry DOI: 10.7270/Q2J38TQ0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50396615
PNG
(CHEMBL2171928 | US8765940, 4-(1-(7-fluoro-3-methyl...)
Show SMILES Cc1cc(nc(N)n1)-c1ccc2c(c1)N(CC2(C)C)c1c(C)c(nc2cc(F)ccc12)-c1ccccn1
Show InChI InChI=1S/C30H27FN6/c1-17-13-24(36-29(32)34-17)19-8-11-22-26(14-19)37(16-30(22,3)4)28-18(2)27(23-7-5-6-12-33-23)35-25-15-20(31)9-10-21(25)28/h5-15H,16H2,1-4H3,(H2,32,34,36)
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364n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma by ATP bioluminescence assay


J Med Chem 55: 7667-85 (2012)


Article DOI: 10.1021/jm300679u
BindingDB Entry DOI: 10.7270/Q2J38TQ0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50396613
PNG
(CHEMBL2171924 | US8765940, 1-(7-fluoro-3-methyl-2-...)
Show SMILES Cc1c(nc2cc(F)ccc2c1N1CC2(CS(=O)(=O)C2)c2ccc(cc12)N1CCOCC1)-c1ccccn1
Show InChI InChI=1S/C29H27FN4O3S/c1-19-27(24-4-2-3-9-31-24)32-25-14-20(30)5-7-22(25)28(19)34-16-29(17-38(35,36)18-29)23-8-6-21(15-26(23)34)33-10-12-37-13-11-33/h2-9,14-15H,10-13,16-18H2,1H3
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395n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta using phosphatidylinositol-4,5-bisphosphate by ATP bioluminescence assay


J Med Chem 55: 7667-85 (2012)


Article DOI: 10.1021/jm300679u
BindingDB Entry DOI: 10.7270/Q2J38TQ0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50396615
PNG
(CHEMBL2171928 | US8765940, 4-(1-(7-fluoro-3-methyl...)
Show SMILES Cc1cc(nc(N)n1)-c1ccc2c(c1)N(CC2(C)C)c1c(C)c(nc2cc(F)ccc12)-c1ccccn1
Show InChI InChI=1S/C30H27FN6/c1-17-13-24(36-29(32)34-17)19-8-11-22-26(14-19)37(16-30(22,3)4)28-18(2)27(23-7-5-6-12-33-23)35-25-15-20(31)9-10-21(25)28/h5-15H,16H2,1-4H3,(H2,32,34,36)
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449n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta using phosphatidylinositol-4,5-bisphosphate by ATP bioluminescence assay


J Med Chem 55: 7667-85 (2012)


Article DOI: 10.1021/jm300679u
BindingDB Entry DOI: 10.7270/Q2J38TQ0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50396614
PNG
(CHEMBL2171931 | US8765940, 1'-(7-fluoro-3-meth...)
Show SMILES Cc1c(nc2cc(F)ccc2c1N1CC2(CCOCC2)c2ncc(cc12)N1CCOCC1)-c1ccccn1
Show InChI InChI=1S/C30H30FN5O2/c1-20-27(24-4-2-3-9-32-24)34-25-16-21(31)5-6-23(25)28(20)36-19-30(7-12-37-13-8-30)29-26(36)17-22(18-33-29)35-10-14-38-15-11-35/h2-6,9,16-18H,7-8,10-15,19H2,1H3
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509n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma by ATP bioluminescence assay


J Med Chem 55: 7667-85 (2012)


Article DOI: 10.1021/jm300679u
BindingDB Entry DOI: 10.7270/Q2J38TQ0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50396616
PNG
(CHEMBL2171930 | US8765940, 4-(1-(7-fluoro-3-methyl...)
Show SMILES Cc1c(nc2cc(F)ccc2c1N1CC(C)(C)c2ncc(cc12)-c1ccnc(N)n1)-c1ccccn1
Show InChI InChI=1S/C28H24FN7/c1-16-24(21-6-4-5-10-31-21)34-22-13-18(29)7-8-19(22)25(16)36-15-28(2,3)26-23(36)12-17(14-33-26)20-9-11-32-27(30)35-20/h4-14H,15H2,1-3H3,(H2,30,32,35)
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510n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by ATP bioluminescence assay


J Med Chem 55: 7667-85 (2012)


Article DOI: 10.1021/jm300679u
BindingDB Entry DOI: 10.7270/Q2J38TQ0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50396610
PNG
(CHEMBL2171929 | US8765940, 4-(3,3-dimethyl-6-(4-mo...)
Show SMILES Cc1c(nc2cc(F)ccc2c1N1CC(C)(C)c2ncc(cc12)N1CCOCC1)-c1ccccn1
Show InChI InChI=1S/C28H28FN5O/c1-18-25(22-6-4-5-9-30-22)32-23-14-19(29)7-8-21(23)26(18)34-17-28(2,3)27-24(34)15-20(16-31-27)33-10-12-35-13-11-33/h4-9,14-16H,10-13,17H2,1-3H3
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1.72E+3n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by ATP bioluminescence assay


J Med Chem 55: 7667-85 (2012)


Article DOI: 10.1021/jm300679u
BindingDB Entry DOI: 10.7270/Q2J38TQ0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50396614
PNG
(CHEMBL2171931 | US8765940, 1'-(7-fluoro-3-meth...)
Show SMILES Cc1c(nc2cc(F)ccc2c1N1CC2(CCOCC2)c2ncc(cc12)N1CCOCC1)-c1ccccn1
Show InChI InChI=1S/C30H30FN5O2/c1-20-27(24-4-2-3-9-32-24)34-25-16-21(31)5-6-23(25)28(20)36-19-30(7-12-37-13-8-30)29-26(36)17-22(18-33-29)35-10-14-38-15-11-35/h2-6,9,16-18H,7-8,10-15,19H2,1H3
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3.25E+3n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by ATP bioluminescence assay


J Med Chem 55: 7667-85 (2012)


Article DOI: 10.1021/jm300679u
BindingDB Entry DOI: 10.7270/Q2J38TQ0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50396611
PNG
(CHEMBL2171927 | US8765940, 4-(1-(7-fluoro-3-methyl...)
Show SMILES Cc1c(nc2cc(F)ccc2c1N1CC(C)(C)c2ccc(cc12)-c1ccnc(N)n1)-c1ccccn1
Show InChI InChI=1S/C29H25FN6/c1-17-26(23-6-4-5-12-32-23)34-24-15-19(30)8-9-20(24)27(17)36-16-29(2,3)21-10-7-18(14-25(21)36)22-11-13-33-28(31)35-22/h4-15H,16H2,1-3H3,(H2,31,33,35)
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3.54E+3n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by ATP bioluminescence assay


J Med Chem 55: 7667-85 (2012)


Article DOI: 10.1021/jm300679u
BindingDB Entry DOI: 10.7270/Q2J38TQ0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50396613
PNG
(CHEMBL2171924 | US8765940, 1-(7-fluoro-3-methyl-2-...)
Show SMILES Cc1c(nc2cc(F)ccc2c1N1CC2(CS(=O)(=O)C2)c2ccc(cc12)N1CCOCC1)-c1ccccn1
Show InChI InChI=1S/C29H27FN4O3S/c1-19-27(24-4-2-3-9-31-24)32-25-14-20(30)5-7-22(25)28(19)34-16-29(17-38(35,36)18-29)23-8-6-21(15-26(23)34)33-10-12-37-13-11-33/h2-9,14-15H,10-13,16-18H2,1H3
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7.34E+3n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma by ATP bioluminescence assay


J Med Chem 55: 7667-85 (2012)


Article DOI: 10.1021/jm300679u
BindingDB Entry DOI: 10.7270/Q2J38TQ0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50396613
PNG
(CHEMBL2171924 | US8765940, 1-(7-fluoro-3-methyl-2-...)
Show SMILES Cc1c(nc2cc(F)ccc2c1N1CC2(CS(=O)(=O)C2)c2ccc(cc12)N1CCOCC1)-c1ccccn1
Show InChI InChI=1S/C29H27FN4O3S/c1-19-27(24-4-2-3-9-31-24)32-25-14-20(30)5-7-22(25)28(19)34-16-29(17-38(35,36)18-29)23-8-6-21(15-26(23)34)33-10-12-37-13-11-33/h2-9,14-15H,10-13,16-18H2,1H3
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>1.25E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by ATP bioluminescence assay


J Med Chem 55: 7667-85 (2012)


Article DOI: 10.1021/jm300679u
BindingDB Entry DOI: 10.7270/Q2J38TQ0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50396617
PNG
(CHEMBL2171925 | US8765940, (1-(7-fluoro-3-methyl-2...)
Show SMILES Cc1c(nc2cc(F)ccc2c1N1CC(CO)(CO)c2ccc(cc12)N1CCOCC1)-c1ccccn1
Show InChI InChI=1S/C29H29FN4O3/c1-19-27(24-4-2-3-9-31-24)32-25-14-20(30)5-7-22(25)28(19)34-16-29(17-35,18-36)23-8-6-21(15-26(23)34)33-10-12-37-13-11-33/h2-9,14-15,35-36H,10-13,16-18H2,1H3
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1.60E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma by ATP bioluminescence assay


J Med Chem 55: 7667-85 (2012)


Article DOI: 10.1021/jm300679u
BindingDB Entry DOI: 10.7270/Q2J38TQ0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50396615
PNG
(CHEMBL2171928 | US8765940, 4-(1-(7-fluoro-3-methyl...)
Show SMILES Cc1cc(nc(N)n1)-c1ccc2c(c1)N(CC2(C)C)c1c(C)c(nc2cc(F)ccc12)-c1ccccn1
Show InChI InChI=1S/C30H27FN6/c1-17-13-24(36-29(32)34-17)19-8-11-22-26(14-19)37(16-30(22,3)4)28-18(2)27(23-7-5-6-12-33-23)35-25-15-20(31)9-10-21(25)28/h5-15H,16H2,1-4H3,(H2,32,34,36)
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>1.25E+5n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by ATP bioluminescence assay


J Med Chem 55: 7667-85 (2012)


Article DOI: 10.1021/jm300679u
BindingDB Entry DOI: 10.7270/Q2J38TQ0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50396617
PNG
(CHEMBL2171925 | US8765940, (1-(7-fluoro-3-methyl-2...)
Show SMILES Cc1c(nc2cc(F)ccc2c1N1CC(CO)(CO)c2ccc(cc12)N1CCOCC1)-c1ccccn1
Show InChI InChI=1S/C29H29FN4O3/c1-19-27(24-4-2-3-9-31-24)32-25-14-20(30)5-7-22(25)28(19)34-16-29(17-35,18-36)23-8-6-21(15-26(23)34)33-10-12-37-13-11-33/h2-9,14-15,35-36H,10-13,16-18H2,1H3
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>1.25E+5n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by ATP bioluminescence assay


J Med Chem 55: 7667-85 (2012)


Article DOI: 10.1021/jm300679u
BindingDB Entry DOI: 10.7270/Q2J38TQ0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50396615
PNG
(CHEMBL2171928 | US8765940, 4-(1-(7-fluoro-3-methyl...)
Show SMILES Cc1cc(nc(N)n1)-c1ccc2c(c1)N(CC2(C)C)c1c(C)c(nc2cc(F)ccc12)-c1ccccn1
Show InChI InChI=1S/C30H27FN6/c1-17-13-24(36-29(32)34-17)19-8-11-22-26(14-19)37(16-30(22,3)4)28-18(2)27(23-7-5-6-12-33-23)35-25-15-20(31)9-10-21(25)28/h5-15H,16H2,1-4H3,(H2,32,34,36)
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>1.25E+5n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta using phosphatidylinositol-4,5-bisphosphate by ATP bioluminescence assay


J Med Chem 55: 7667-85 (2012)


Article DOI: 10.1021/jm300679u
BindingDB Entry DOI: 10.7270/Q2J38TQ0
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50053046
PNG
(CHEMBL3318761)
Show SMILES C[C@]1(CC(O)=O)C[C@@H]([C@H](N([C@H](CS(=O)(=O)NC2CC2)C2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1 |r|
Show InChI InChI=1/C28H32Cl2N2O5S/c1-28(15-25(33)34)14-23(19-3-2-4-21(30)13-19)26(18-7-9-20(29)10-8-18)32(27(28)35)24(17-5-6-17)16-38(36,37)31-22-11-12-22/h2-4,7-10,13,17,22-24,26,31H,5-6,11-12,14-16H2,1H3,(H,33,34)/t23-,24-,26-,28-/s2
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n/an/a 0.0590n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay in presence of 15% h...


Bioorg Med Chem Lett 24: 3782-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.073
BindingDB Entry DOI: 10.7270/Q2ZC84HH
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50053225
PNG
(CHEMBL3318783)
Show SMILES CC(C)(C)[C@@H](CS(=O)(=O)N1CCS(=O)(=O)CC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1/C30H38Cl2N2O7S2/c1-29(2,3)25(19-43(40,41)33-12-14-42(38,39)15-13-33)34-27(20-8-10-22(31)11-9-20)24(21-6-5-7-23(32)16-21)17-30(4,28(34)37)18-26(35)36/h5-11,16,24-25,27H,12-15,17-19H2,1-4H3,(H,35,36)/t24-,25-,27-,30-/s2
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n/an/a 0.0590n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay in presence of 15% h...


Bioorg Med Chem Lett 24: 3782-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.073
BindingDB Entry DOI: 10.7270/Q2ZC84HH
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50053053
PNG
(CHEMBL3318768)
Show SMILES C[C@]1(CC(O)=O)C[C@@H]([C@H](N([C@H](CS(=O)(=O)Nc2ccccc2)C2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1 |r|
Show InChI InChI=1/C31H32Cl2N2O5S/c1-31(18-28(36)37)17-26(22-6-5-7-24(33)16-22)29(21-12-14-23(32)15-13-21)35(30(31)38)27(20-10-11-20)19-41(39,40)34-25-8-3-2-4-9-25/h2-9,12-16,20,26-27,29,34H,10-11,17-19H2,1H3,(H,36,37)/t26-,27-,29-,31-/s2
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n/an/a 0.0710n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay in presence of 15% h...


Bioorg Med Chem Lett 24: 3782-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.073
BindingDB Entry DOI: 10.7270/Q2ZC84HH
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50053223
PNG
(CHEMBL3318781)
Show SMILES CN1CCN(CC1)S(=O)(=O)C[C@@H](N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1)C(C)(C)C |r|
Show InChI InChI=1/C31H41Cl2N3O5S/c1-30(2,3)26(20-42(40,41)35-15-13-34(5)14-16-35)36-28(21-9-11-23(32)12-10-21)25(22-7-6-8-24(33)17-22)18-31(4,29(36)39)19-27(37)38/h6-12,17,25-26,28H,13-16,18-20H2,1-5H3,(H,37,38)/t25-,26-,28-,31-/s2
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n/an/a 0.0740n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay in presence of 15% h...


Bioorg Med Chem Lett 24: 3782-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.073
BindingDB Entry DOI: 10.7270/Q2ZC84HH
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50053056
PNG
(CHEMBL3318771)
Show SMILES CCN(c1ccccc1)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1/C33H36Cl2N2O5S/c1-3-36(27-10-5-4-6-11-27)43(41,42)21-29(22-12-13-22)37-31(23-14-16-25(34)17-15-23)28(24-8-7-9-26(35)18-24)19-33(2,32(37)40)20-30(38)39/h4-11,14-18,22,28-29,31H,3,12-13,19-21H2,1-2H3,(H,38,39)/t28-,29-,31-,33-/s2
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n/an/a 0.0750n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay in presence of 15% h...


Bioorg Med Chem Lett 24: 3782-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.073
BindingDB Entry DOI: 10.7270/Q2ZC84HH
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50053044
PNG
(CHEMBL3318756)
Show SMILES CCNS(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1/C27H32Cl2N2O5S/c1-3-30-37(35,36)16-23(17-7-8-17)31-25(18-9-11-20(28)12-10-18)22(19-5-4-6-21(29)13-19)14-27(2,26(31)34)15-24(32)33/h4-6,9-13,17,22-23,25,30H,3,7-8,14-16H2,1-2H3,(H,32,33)/t22-,23-,25-,27-/s2
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n/an/a 0.0790n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay in presence of 15% h...


Bioorg Med Chem Lett 24: 3782-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.073
BindingDB Entry DOI: 10.7270/Q2ZC84HH
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50053042
PNG
(CHEMBL3318758)
Show SMILES C[C@]1(CC(O)=O)C[C@@H]([C@H](N([C@H](CS(=O)(=O)NCC2CC2)C2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1 |r|
Show InChI InChI=1/C29H34Cl2N2O5S/c1-29(15-26(34)35)14-24(21-3-2-4-23(31)13-21)27(20-9-11-22(30)12-10-20)33(28(29)36)25(19-7-8-19)17-39(37,38)32-16-18-5-6-18/h2-4,9-13,18-19,24-25,27,32H,5-8,14-17H2,1H3,(H,34,35)/t24-,25-,27-,29-/s2
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n/an/a 0.0810n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay in presence of 15% h...


Bioorg Med Chem Lett 24: 3782-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.073
BindingDB Entry DOI: 10.7270/Q2ZC84HH
More data for this
Ligand-Target Pair
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