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Compile Data Set for Download or QSAR

Found 50 hits with Last Name = 'susulic' and Initial = 'v'   
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))
BDBM50232433
PNG
(CHEMBL4068514 | US10214537, Example 619)
Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Show InChI InChI=1S/C28H32N8O3/c1-18(37)34-12-11-33(27(38)28(34,2)3)21-6-4-5-19(15-21)24-16-22(25-26(29)30-17-32-36(24)25)23-7-10-31-35(23)20-8-13-39-14-9-20/h4-7,10,15-17,20H,8-9,11-14H2,1-3H3,(H2,29,30,32)
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n/an/a 0.300n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using PIP2:PS as substrate incubated for 3 hrs by ADP-Glo assay


Bioorg Med Chem Lett 27: 855-861 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.016
BindingDB Entry DOI: 10.7270/Q2BR8VFH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232438
PNG
(CHEMBL4100063 | US10214537, Example 256)
Show SMILES CC(=O)N1CCN(C(C1)c1cccnc1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Show InChI InChI=1S/C31H33N9O2/c1-21(41)37-12-13-38(29(19-37)23-5-3-10-33-18-23)25-6-2-4-22(16-25)28-17-26(30-31(32)34-20-36-40(28)30)27-7-11-35-39(27)24-8-14-42-15-9-24/h2-7,10-11,16-18,20,24,29H,8-9,12-15,19H2,1H3,(H2,32,34,36)
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using PIP2:PS as substrate incubated for 3 hrs by ADP-Glo assay


Bioorg Med Chem Lett 27: 855-861 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.016
BindingDB Entry DOI: 10.7270/Q2BR8VFH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM284821
PNG
(1-((cis)-4-(5-(4-amino-5-(1-(tetrahydro-2H-pyran-4...)
Show SMILES C[C@H]1CN(C[C@@H](C)N1c1cncc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C(C)=O
Show InChI InChI=1S/C27H33N9O2/c1-17-14-33(19(3)37)15-18(2)34(17)22-10-20(12-29-13-22)25-11-23(26-27(28)30-16-32-36(25)26)24-4-7-31-35(24)21-5-8-38-9-6-21/h4,7,10-13,16-18,21H,5-6,8-9,14-15H2,1-3H3,(H2,28,30,32)/t17-,18+
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using PIP2:PS as substrate incubated for 3 hrs by ADP-Glo assay


Bioorg Med Chem Lett 27: 855-861 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.016
BindingDB Entry DOI: 10.7270/Q2BR8VFH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232455
PNG
(CHEMBL4097699 | US10214537, Example 244)
Show SMILES CC(=O)N1CCN(C(C1)C(F)(F)F)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Show InChI InChI=1S/C27H29F3N8O2/c1-17(39)35-9-10-36(24(15-35)27(28,29)30)20-4-2-3-18(13-20)23-14-21(25-26(31)32-16-34-38(23)25)22-5-8-33-37(22)19-6-11-40-12-7-19/h2-5,8,13-14,16,19,24H,6-7,9-12,15H2,1H3,(H2,31,32,34)
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n/an/a 0.800n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using PIP2:PS as substrate incubated for 3 hrs by ADP-Glo assay


Bioorg Med Chem Lett 27: 855-861 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.016
BindingDB Entry DOI: 10.7270/Q2BR8VFH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM284872
PNG
(7-(2-(4-(oxetan-3-yl)piperazin-1- yl)pyridin-4-yl)...)
Show SMILES Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1ccnc(c1)N1CCN(CC1)C1COC1
Show InChI InChI=1S/C26H31N9O2/c27-26-25-21(22-2-6-30-34(22)19-3-11-36-12-4-19)14-23(35(25)31-17-29-26)18-1-5-28-24(13-18)33-9-7-32(8-10-33)20-15-37-16-20/h1-2,5-6,13-14,17,19-20H,3-4,7-12,15-16H2,(H2,27,29,31)
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n/an/a 0.800n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using PIP2:PS as substrate incubated for 3 hrs by ADP-Glo assay


Bioorg Med Chem Lett 27: 855-861 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.016
BindingDB Entry DOI: 10.7270/Q2BR8VFH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232457
PNG
(CHEMBL4091002 | US10214537, Example 225)
Show SMILES C[C@H]1CN(C[C@@H](C)N1c1cc(F)cc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C(C)=O
Show InChI InChI=1S/C28H33FN8O2/c1-17-14-34(19(3)38)15-18(2)35(17)23-11-20(10-21(29)12-23)26-13-24(27-28(30)31-16-33-37(26)27)25-4-7-32-36(25)22-5-8-39-9-6-22/h4,7,10-13,16-18,22H,5-6,8-9,14-15H2,1-3H3,(H2,30,31,33)/t17-,18+
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n/an/a 0.900n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using PIP2:PS as substrate incubated for 3 hrs by ADP-Glo assay


Bioorg Med Chem Lett 27: 855-861 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.016
BindingDB Entry DOI: 10.7270/Q2BR8VFH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232456
PNG
(CHEMBL4090888 | US10214537, Example 289)
Show SMILES Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1cccc(c1)N1CCN(CC1)C1COC1
Show InChI InChI=1S/C27H32N8O2/c28-27-26-23(24-4-7-30-34(24)20-5-12-36-13-6-20)15-25(35(26)31-18-29-27)19-2-1-3-21(14-19)32-8-10-33(11-9-32)22-16-37-17-22/h1-4,7,14-15,18,20,22H,5-6,8-13,16-17H2,(H2,28,29,31)
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n/an/a 0.900n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using PIP2:PS as substrate incubated for 3 hrs by ADP-Glo assay


Bioorg Med Chem Lett 27: 855-861 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.016
BindingDB Entry DOI: 10.7270/Q2BR8VFH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232439
PNG
(CHEMBL4079663 | US10214537, Example 291)
Show SMILES CC(=O)N1CCN(C(C1)c1ccccc1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Show InChI InChI=1S/C32H34N8O2/c1-22(41)37-14-15-38(30(20-37)23-6-3-2-4-7-23)26-9-5-8-24(18-26)29-19-27(31-32(33)34-21-36-40(29)31)28-10-13-35-39(28)25-11-16-42-17-12-25/h2-10,13,18-19,21,25,30H,11-12,14-17,20H2,1H3,(H2,33,34,36)
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n/an/a 0.900n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using PIP2:PS as substrate incubated for 3 hrs by ADP-Glo assay


Bioorg Med Chem Lett 27: 855-861 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.016
BindingDB Entry DOI: 10.7270/Q2BR8VFH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232434
PNG
(CHEMBL4091410 | US10214537, Example 252)
Show SMILES CC(=O)N1CCN(CC1c1cccnc1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Show InChI InChI=1S/C31H33N9O2/c1-21(41)38-13-12-37(19-29(38)23-5-3-10-33-18-23)25-6-2-4-22(16-25)28-17-26(30-31(32)34-20-36-40(28)30)27-7-11-35-39(27)24-8-14-42-15-9-24/h2-7,10-11,16-18,20,24,29H,8-9,12-15,19H2,1H3,(H2,32,34,36)
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using PIP2:PS as substrate incubated for 3 hrs by ADP-Glo assay


Bioorg Med Chem Lett 27: 855-861 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.016
BindingDB Entry DOI: 10.7270/Q2BR8VFH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232452
PNG
(CHEMBL4070023 | US10214537, Example 229)
Show SMILES COc1cc(cc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)N1[C@@H](C)CN(C[C@H]1C)C(C)=O
Show InChI InChI=1S/C29H36N8O3/c1-18-15-34(20(3)38)16-19(2)35(18)23-11-21(12-24(13-23)39-4)27-14-25(28-29(30)31-17-33-37(27)28)26-5-8-32-36(26)22-6-9-40-10-7-22/h5,8,11-14,17-19,22H,6-7,9-10,15-16H2,1-4H3,(H2,30,31,33)/t18-,19+
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using PIP2:PS as substrate incubated for 3 hrs by ADP-Glo assay


Bioorg Med Chem Lett 27: 855-861 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.016
BindingDB Entry DOI: 10.7270/Q2BR8VFH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232437
PNG
(CHEMBL4073217 | US10214537, Example 260)
Show SMILES CC(=O)N1CCN(C(C1)c1ccc(Cl)cc1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Show InChI InChI=1S/C32H33ClN8O2/c1-21(42)38-13-14-39(30(19-38)22-5-7-24(33)8-6-22)26-4-2-3-23(17-26)29-18-27(31-32(34)35-20-37-41(29)31)28-9-12-36-40(28)25-10-15-43-16-11-25/h2-9,12,17-18,20,25,30H,10-11,13-16,19H2,1H3,(H2,34,35,37)
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n/an/a 1.30n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using PIP2:PS as substrate incubated for 3 hrs by ADP-Glo assay


Bioorg Med Chem Lett 27: 855-861 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.016
BindingDB Entry DOI: 10.7270/Q2BR8VFH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232430
PNG
(CHEMBL4061855 | US10214537, Example 262)
Show SMILES C[C@H]1CN(C[C@@H](C)N1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C(C)=O
Show InChI InChI=1S/C28H34N8O2/c1-18-15-33(20(3)37)16-19(2)34(18)23-6-4-5-21(13-23)26-14-24(27-28(29)30-17-32-36(26)27)25-7-10-31-35(25)22-8-11-38-12-9-22/h4-7,10,13-14,17-19,22H,8-9,11-12,15-16H2,1-3H3,(H2,29,30,32)/t18-,19+
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using PIP2:PS as substrate incubated for 3 hrs by ADP-Glo assay


Bioorg Med Chem Lett 27: 855-861 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.016
BindingDB Entry DOI: 10.7270/Q2BR8VFH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50232430
PNG
(CHEMBL4061855 | US10214537, Example 262)
Show SMILES C[C@H]1CN(C[C@@H](C)N1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C(C)=O
Show InChI InChI=1S/C28H34N8O2/c1-18-15-33(20(3)37)16-19(2)34(18)23-6-4-5-21(13-23)26-14-24(27-28(29)30-17-32-36(26)27)25-7-10-31-35(25)22-8-11-38-12-9-22/h4-7,10,13-14,17-19,22H,8-9,11-12,15-16H2,1-3H3,(H2,29,30,32)/t18-,19+
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin) using PIP2:PS as substrate incubated for 30 mins by ADP-Glo assay


Bioorg Med Chem Lett 27: 855-861 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.016
BindingDB Entry DOI: 10.7270/Q2BR8VFH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232436
PNG
(CHEMBL4083625 | US10214537, Example 246)
Show SMILES C[C@H]1CN(C[C@@H](C)N1C(C)=O)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Show InChI InChI=1S/C28H34N8O2/c1-18-15-33(16-19(2)34(18)20(3)37)23-6-4-5-21(13-23)26-14-24(27-28(29)30-17-32-36(26)27)25-7-10-31-35(25)22-8-11-38-12-9-22/h4-7,10,13-14,17-19,22H,8-9,11-12,15-16H2,1-3H3,(H2,29,30,32)/t18-,19+
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using PIP2:PS as substrate incubated for 3 hrs by ADP-Glo assay


Bioorg Med Chem Lett 27: 855-861 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.016
BindingDB Entry DOI: 10.7270/Q2BR8VFH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232451
PNG
(CHEMBL4064155 | US10214537, Example 267)
Show SMILES C[C@H]1CN(C[C@@H](C)N1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C(=O)CO
Show InChI InChI=1S/C28H34N8O3/c1-18-14-33(26(38)16-37)15-19(2)34(18)22-5-3-4-20(12-22)25-13-23(27-28(29)30-17-32-36(25)27)24-6-9-31-35(24)21-7-10-39-11-8-21/h3-6,9,12-13,17-19,21,37H,7-8,10-11,14-16H2,1-2H3,(H2,29,30,32)/t18-,19+
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using PIP2:PS as substrate incubated for 3 hrs by ADP-Glo assay


Bioorg Med Chem Lett 27: 855-861 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.016
BindingDB Entry DOI: 10.7270/Q2BR8VFH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232440
PNG
(CHEMBL4083101 | US10214537, Example 618)
Show SMILES C[C@H]1CN(CCN1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C(C)=O
Show InChI InChI=1S/C27H32N8O2/c1-18-16-32(19(2)36)10-11-33(18)22-5-3-4-20(14-22)25-15-23(26-27(28)29-17-31-35(25)26)24-6-9-30-34(24)21-7-12-37-13-8-21/h3-6,9,14-15,17-18,21H,7-8,10-13,16H2,1-2H3,(H2,28,29,31)/t18-/m0/s1
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n/an/a 1.70n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using PIP2:PS as substrate incubated for 3 hrs by ADP-Glo assay


Bioorg Med Chem Lett 27: 855-861 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.016
BindingDB Entry DOI: 10.7270/Q2BR8VFH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM284871
PNG
(7-(2-(piperazin-1-yl)pyridin-4-yl)-5- (1-(tetrahyd...)
Show SMILES Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1ccnc(c1)N1CCNCC1
Show InChI InChI=1S/C23H27N9O/c24-23-22-18(19-2-6-28-31(19)17-3-11-33-12-4-17)14-20(32(22)29-15-27-23)16-1-5-26-21(13-16)30-9-7-25-8-10-30/h1-2,5-6,13-15,17,25H,3-4,7-12H2,(H2,24,27,29)
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n/an/a 1.80n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using PIP2:PS as substrate incubated for 3 hrs by ADP-Glo assay


Bioorg Med Chem Lett 27: 855-861 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.016
BindingDB Entry DOI: 10.7270/Q2BR8VFH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232445
PNG
(CHEMBL4062954 | US10214537, Example 290)
Show SMILES CN1CCN(CC1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Show InChI InChI=1S/C25H30N8O/c1-30-9-11-31(12-10-30)20-4-2-3-18(15-20)23-16-21(24-25(26)27-17-29-33(23)24)22-5-8-28-32(22)19-6-13-34-14-7-19/h2-5,8,15-17,19H,6-7,9-14H2,1H3,(H2,26,27,29)
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n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using PIP2:PS as substrate incubated for 3 hrs by ADP-Glo assay


Bioorg Med Chem Lett 27: 855-861 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.016
BindingDB Entry DOI: 10.7270/Q2BR8VFH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232444
PNG
(CHEMBL4071580 | US10214537, Example 288)
Show SMILES CC(=O)N1CCN(CC1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Show InChI InChI=1S/C26H30N8O2/c1-18(35)31-9-11-32(12-10-31)21-4-2-3-19(15-21)24-16-22(25-26(27)28-17-30-34(24)25)23-5-8-29-33(23)20-6-13-36-14-7-20/h2-5,8,15-17,20H,6-7,9-14H2,1H3,(H2,27,28,30)
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n/an/a 2.40n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using PIP2:PS as substrate incubated for 3 hrs by ADP-Glo assay


Bioorg Med Chem Lett 27: 855-861 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.016
BindingDB Entry DOI: 10.7270/Q2BR8VFH
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))
BDBM50232443
PNG
(CHEMBL4098611 | US10214537, Example 303)
Show SMILES CC(=O)N1CCN(CC1)c1cccc(c1)-c1cc(-c2ccnn2C2CC2)c2c(N)ncnn12
Show InChI InChI=1S/C24H26N8O/c1-16(33)29-9-11-30(12-10-29)19-4-2-3-17(13-19)22-14-20(23-24(25)26-15-28-32(22)23)21-7-8-27-31(21)18-5-6-18/h2-4,7-8,13-15,18H,5-6,9-12H2,1H3,(H2,25,26,28)
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n/an/a 2.5n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using PIP2:PS as substrate incubated for 3 hrs by ADP-Glo assay


Bioorg Med Chem Lett 27: 855-861 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.016
BindingDB Entry DOI: 10.7270/Q2BR8VFH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232453
PNG
(CHEMBL4091906 | US10214537, Example 271)
Show SMILES C[C@H]1CN(C[C@@H](C)N1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C(=O)C(C)(C)O
Show InChI InChI=1S/C30H38N8O3/c1-19-16-35(29(39)30(3,4)40)17-20(2)36(19)23-7-5-6-21(14-23)26-15-24(27-28(31)32-18-34-38(26)27)25-8-11-33-37(25)22-9-12-41-13-10-22/h5-8,11,14-15,18-20,22,40H,9-10,12-13,16-17H2,1-4H3,(H2,31,32,34)/t19-,20+
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n/an/a 3.90n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using PIP2:PS as substrate incubated for 3 hrs by ADP-Glo assay


Bioorg Med Chem Lett 27: 855-861 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.016
BindingDB Entry DOI: 10.7270/Q2BR8VFH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232444
PNG
(CHEMBL4071580 | US10214537, Example 288)
Show SMILES CC(=O)N1CCN(CC1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Show InChI InChI=1S/C26H30N8O2/c1-18(35)31-9-11-32(12-10-31)21-4-2-3-19(15-21)24-16-22(25-26(27)28-17-30-34(24)25)23-5-8-29-33(23)20-6-13-36-14-7-20/h2-5,8,15-17,20H,6-7,9-14H2,1H3,(H2,27,28,30)
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n/an/a 4n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in human whole blood assessed as suppression of CD69 expression incubated for 60 mins


Bioorg Med Chem Lett 27: 855-861 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.016
BindingDB Entry DOI: 10.7270/Q2BR8VFH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Mus musculus (Mouse))
BDBM50232430
PNG
(CHEMBL4061855 | US10214537, Example 262)
Show SMILES C[C@H]1CN(C[C@@H](C)N1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C(C)=O
Show InChI InChI=1S/C28H34N8O2/c1-18-15-33(20(3)37)16-19(2)34(18)23-6-4-5-21(13-23)26-14-24(27-28(29)30-17-32-36(26)27)25-7-10-31-35(25)22-8-11-38-12-9-22/h4-7,10,13-14,17-19,22H,8-9,11-12,15-16H2,1-3H3,(H2,29,30,32)/t18-,19+
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n/an/a 4n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in mouse spleen assessed suppression of CD86


Bioorg Med Chem Lett 27: 855-861 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.016
BindingDB Entry DOI: 10.7270/Q2BR8VFH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232435
PNG
(CHEMBL4070480)
Show SMILES CC(=O)N1CCN(CC1c1ccccc1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Show InChI InChI=1S/C32H34N8O2/c1-22(41)38-15-14-37(20-30(38)23-6-3-2-4-7-23)26-9-5-8-24(18-26)29-19-27(31-32(33)34-21-36-40(29)31)28-10-13-35-39(28)25-11-16-42-17-12-25/h2-10,13,18-19,21,25,30H,11-12,14-17,20H2,1H3,(H2,33,34,36)
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n/an/a 4.30n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using PIP2:PS as substrate incubated for 3 hrs by ADP-Glo assay


Bioorg Med Chem Lett 27: 855-861 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.016
BindingDB Entry DOI: 10.7270/Q2BR8VFH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232450
PNG
(CHEMBL4099634 | US10214537, Example 266)
Show SMILES COC(=O)N1C[C@H](C)N([C@H](C)C1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Show InChI InChI=1S/C28H34N8O3/c1-18-15-33(28(37)38-3)16-19(2)34(18)22-6-4-5-20(13-22)25-14-23(26-27(29)30-17-32-36(25)26)24-7-10-31-35(24)21-8-11-39-12-9-21/h4-7,10,13-14,17-19,21H,8-9,11-12,15-16H2,1-3H3,(H2,29,30,32)/t18-,19+
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n/an/a 4.5n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using PIP2:PS as substrate incubated for 3 hrs by ADP-Glo assay


Bioorg Med Chem Lett 27: 855-861 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.016
BindingDB Entry DOI: 10.7270/Q2BR8VFH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232447
PNG
(CHEMBL4099020)
Show SMILES CN1CCN(CC1)c1cc(ccn1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Show InChI InChI=1S/C24H29N9O/c1-30-8-10-31(11-9-30)22-14-17(2-6-26-22)21-15-19(23-24(25)27-16-29-33(21)23)20-3-7-28-32(20)18-4-12-34-13-5-18/h2-3,6-7,14-16,18H,4-5,8-13H2,1H3,(H2,25,27,29)
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n/an/a 4.70n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using PIP2:PS as substrate incubated for 3 hrs by ADP-Glo assay


Bioorg Med Chem Lett 27: 855-861 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.016
BindingDB Entry DOI: 10.7270/Q2BR8VFH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232442
PNG
(CHEMBL4093336 | US10214537, Example 302)
Show SMILES CC(C)n1nccc1-c1cc(-c2cccc(c2)N2CCN(CC2)C(C)=O)n2ncnc(N)c12
Show InChI InChI=1S/C24H28N8O/c1-16(2)31-21(7-8-27-31)20-14-22(32-23(20)24(25)26-15-28-32)18-5-4-6-19(13-18)30-11-9-29(10-12-30)17(3)33/h4-8,13-16H,9-12H2,1-3H3,(H2,25,26,28)
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n/an/a 5n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using PIP2:PS as substrate incubated for 3 hrs by ADP-Glo assay


Bioorg Med Chem Lett 27: 855-861 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.016
BindingDB Entry DOI: 10.7270/Q2BR8VFH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232446
PNG
(CHEMBL4098095)
Show SMILES Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1cccc(c1)N1CCNCC1
Show InChI InChI=1S/C24H28N8O/c25-24-23-20(21-4-7-28-31(21)18-5-12-33-13-6-18)15-22(32(23)29-16-27-24)17-2-1-3-19(14-17)30-10-8-26-9-11-30/h1-4,7,14-16,18,26H,5-6,8-13H2,(H2,25,27,29)
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n/an/a 5n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using PIP2:PS as substrate incubated for 3 hrs by ADP-Glo assay


Bioorg Med Chem Lett 27: 855-861 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.016
BindingDB Entry DOI: 10.7270/Q2BR8VFH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM284874
PNG
(1-(4-(4-(4-amino-5-(1-(tetrahydro- 2H-pyran-4-yl)-...)
Show SMILES CC(=O)N1CCN(CC1)c1cc(ccn1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Show InChI InChI=1S/C25H29N9O2/c1-17(35)31-8-10-32(11-9-31)23-14-18(2-6-27-23)22-15-20(24-25(26)28-16-30-34(22)24)21-3-7-29-33(21)19-4-12-36-13-5-19/h2-3,6-7,14-16,19H,4-5,8-13H2,1H3,(H2,26,28,30)
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n/an/a 5.20n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using PIP2:PS as substrate incubated for 3 hrs by ADP-Glo assay


Bioorg Med Chem Lett 27: 855-861 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.016
BindingDB Entry DOI: 10.7270/Q2BR8VFH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232454
PNG
(CHEMBL4081103 | US10214537, Example 334)
Show SMILES CC(=O)N1CCN(C(=O)C1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Show InChI InChI=1S/C26H28N8O3/c1-17(35)31-9-10-32(24(36)15-31)20-4-2-3-18(13-20)23-14-21(25-26(27)28-16-30-34(23)25)22-5-8-29-33(22)19-6-11-37-12-7-19/h2-5,8,13-14,16,19H,6-7,9-12,15H2,1H3,(H2,27,28,30)
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n/an/a 5.5n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using PIP2:PS as substrate incubated for 3 hrs by ADP-Glo assay


Bioorg Med Chem Lett 27: 855-861 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.016
BindingDB Entry DOI: 10.7270/Q2BR8VFH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232441
PNG
(CHEMBL4101075 | US10214537, Example 535)
Show SMILES CC(=O)N1CCN(CC1)c1cccc(c1)-c1cc(-c2ccnn2CC(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C23H23F3N8O/c1-15(35)31-7-9-32(10-8-31)17-4-2-3-16(11-17)20-12-18(21-22(27)28-14-30-34(20)21)19-5-6-29-33(19)13-23(24,25)26/h2-6,11-12,14H,7-10,13H2,1H3,(H2,27,28,30)
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n/an/a 5.5n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using PIP2:PS as substrate incubated for 3 hrs by ADP-Glo assay


Bioorg Med Chem Lett 27: 855-861 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.016
BindingDB Entry DOI: 10.7270/Q2BR8VFH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232431
PNG
(CHEMBL4087086 | US10214537, Example 263)
Show SMILES C[C@H]1CN(C)C[C@@H](C)N1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Show InChI InChI=1S/C27H34N8O/c1-18-15-32(3)16-19(2)33(18)22-6-4-5-20(13-22)25-14-23(26-27(28)29-17-31-35(25)26)24-7-10-30-34(24)21-8-11-36-12-9-21/h4-7,10,13-14,17-19,21H,8-9,11-12,15-16H2,1-3H3,(H2,28,29,31)/t18-,19+
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n/an/a 6.40n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using PIP2:PS as substrate incubated for 3 hrs by ADP-Glo assay


Bioorg Med Chem Lett 27: 855-861 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.016
BindingDB Entry DOI: 10.7270/Q2BR8VFH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232448
PNG
(CHEMBL4072625)
Show SMILES CC(=O)N1CCN(CC1)c1cccc(c1)-c1cc(-c2ccnn2C2COC2)c2c(N)ncnn12
Show InChI InChI=1S/C24H26N8O2/c1-16(33)29-7-9-30(10-8-29)18-4-2-3-17(11-18)22-12-20(23-24(25)26-15-28-32(22)23)21-5-6-27-31(21)19-13-34-14-19/h2-6,11-12,15,19H,7-10,13-14H2,1H3,(H2,25,26,28)
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n/an/a 6.60n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using PIP2:PS as substrate incubated for 3 hrs by ADP-Glo assay


Bioorg Med Chem Lett 27: 855-861 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.016
BindingDB Entry DOI: 10.7270/Q2BR8VFH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232449
PNG
(CHEMBL4072750)
Show SMILES C[C@H]1CN(C[C@@H](C)N1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C1COC1
Show InChI InChI=1S/C29H36N8O2/c1-19-14-34(24-16-39-17-24)15-20(2)35(19)23-5-3-4-21(12-23)27-13-25(28-29(30)31-18-33-37(27)28)26-6-9-32-36(26)22-7-10-38-11-8-22/h3-6,9,12-13,18-20,22,24H,7-8,10-11,14-17H2,1-2H3,(H2,30,31,33)/t19-,20+
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n/an/a 9.60n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using PIP2:PS as substrate incubated for 3 hrs by ADP-Glo assay


Bioorg Med Chem Lett 27: 855-861 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.016
BindingDB Entry DOI: 10.7270/Q2BR8VFH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232432
PNG
(CHEMBL4065659)
Show SMILES C[C@H]1CNC[C@@H](C)N1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Show InChI InChI=1S/C26H32N8O/c1-17-14-28-15-18(2)32(17)21-5-3-4-19(12-21)24-13-22(25-26(27)29-16-31-34(24)25)23-6-9-30-33(23)20-7-10-35-11-8-20/h3-6,9,12-13,16-18,20,28H,7-8,10-11,14-15H2,1-2H3,(H2,27,29,31)/t17-,18+
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n/an/a 11n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using PIP2:PS as substrate incubated for 3 hrs by ADP-Glo assay


Bioorg Med Chem Lett 27: 855-861 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.016
BindingDB Entry DOI: 10.7270/Q2BR8VFH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232430
PNG
(CHEMBL4061855 | US10214537, Example 262)
Show SMILES C[C@H]1CN(C[C@@H](C)N1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C(C)=O
Show InChI InChI=1S/C28H34N8O2/c1-18-15-33(20(3)37)16-19(2)34(18)23-6-4-5-21(13-23)26-14-24(27-28(29)30-17-32-36(26)27)25-7-10-31-35(25)22-8-11-38-12-9-22/h4-7,10,13-14,17-19,22H,8-9,11-12,15-16H2,1-3H3,(H2,29,30,32)/t18-,19+
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n/an/a 13n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in human whole blood assessed as suppression of CD69 expression incubated for 60 mins


Bioorg Med Chem Lett 27: 855-861 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.016
BindingDB Entry DOI: 10.7270/Q2BR8VFH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232430
PNG
(CHEMBL4061855 | US10214537, Example 262)
Show SMILES C[C@H]1CN(C[C@@H](C)N1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C(C)=O
Show InChI InChI=1S/C28H34N8O2/c1-18-15-33(20(3)37)16-19(2)34(18)23-6-4-5-21(13-23)26-14-24(27-28(29)30-17-32-36(26)27)25-7-10-31-35(25)22-8-11-38-12-9-22/h4-7,10,13-14,17-19,22H,8-9,11-12,15-16H2,1-3H3,(H2,29,30,32)/t18-,19+
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n/an/a 24n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in BCR-stimulated human B cells assessed as suppression of CD86 expression after 18 hrs by FACS analysis


Bioorg Med Chem Lett 27: 855-861 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.016
BindingDB Entry DOI: 10.7270/Q2BR8VFH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232451
PNG
(CHEMBL4064155 | US10214537, Example 267)
Show SMILES C[C@H]1CN(C[C@@H](C)N1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C(=O)CO
Show InChI InChI=1S/C28H34N8O3/c1-18-14-33(26(38)16-37)15-19(2)34(18)22-5-3-4-20(12-22)25-13-23(27-28(29)30-17-32-36(25)27)24-6-9-31-35(24)21-7-10-39-11-8-21/h3-6,9,12-13,17-19,21,37H,7-8,10-11,14-16H2,1-2H3,(H2,29,30,32)/t18-,19+
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n/an/a 39n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in human whole blood assessed as suppression of CD69 expression incubated for 60 mins


Bioorg Med Chem Lett 27: 855-861 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.016
BindingDB Entry DOI: 10.7270/Q2BR8VFH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50232430
PNG
(CHEMBL4061855 | US10214537, Example 262)
Show SMILES C[C@H]1CN(C[C@@H](C)N1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C(C)=O
Show InChI InChI=1S/C28H34N8O2/c1-18-15-33(20(3)37)16-19(2)34(18)23-6-4-5-21(13-23)26-14-24(27-28(29)30-17-32-36(26)27)25-7-10-31-35(25)22-8-11-38-12-9-22/h4-7,10,13-14,17-19,22H,8-9,11-12,15-16H2,1-3H3,(H2,29,30,32)/t18-,19+
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n/an/a 57n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) using PIP2:PS as substrate incubated for 30 mins by ADP-Glo assay


Bioorg Med Chem Lett 27: 855-861 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.016
BindingDB Entry DOI: 10.7270/Q2BR8VFH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232444
PNG
(CHEMBL4071580 | US10214537, Example 288)
Show SMILES CC(=O)N1CCN(CC1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Show InChI InChI=1S/C26H30N8O2/c1-18(35)31-9-11-32(12-10-31)21-4-2-3-19(15-21)24-16-22(25-26(27)28-17-30-34(24)25)23-5-8-29-33(23)20-6-13-36-14-7-20/h2-5,8,15-17,20H,6-7,9-14H2,1H3,(H2,27,28,30)
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n/an/a 66n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in BCR-stimulated human B cells assessed as suppression of CD86 expression after 18 hrs by FACS analysis


Bioorg Med Chem Lett 27: 855-861 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.016
BindingDB Entry DOI: 10.7270/Q2BR8VFH
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))
BDBM50232450
PNG
(CHEMBL4099634 | US10214537, Example 266)
Show SMILES COC(=O)N1C[C@H](C)N([C@H](C)C1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Show InChI InChI=1S/C28H34N8O3/c1-18-15-33(28(37)38-3)16-19(2)34(18)22-6-4-5-20(13-22)25-14-23(26-27(29)30-17-32-36(25)26)24-7-10-31-35(24)21-8-11-39-12-9-21/h4-7,10,13-14,17-19,21H,8-9,11-12,15-16H2,1-3H3,(H2,29,30,32)/t18-,19+
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n/an/a 81n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in human whole blood assessed as suppression of CD69 expression incubated for 60 mins


Bioorg Med Chem Lett 27: 855-861 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.016
BindingDB Entry DOI: 10.7270/Q2BR8VFH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232441
PNG
(CHEMBL4101075 | US10214537, Example 535)
Show SMILES CC(=O)N1CCN(CC1)c1cccc(c1)-c1cc(-c2ccnn2CC(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C23H23F3N8O/c1-15(35)31-7-9-32(10-8-31)17-4-2-3-16(11-17)20-12-18(21-22(27)28-14-30-34(20)21)19-5-6-29-33(19)13-23(24,25)26/h2-6,11-12,14H,7-10,13H2,1H3,(H2,27,28,30)
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n/an/a 143n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in human whole blood assessed as suppression of CD69 expression incubated for 60 mins


Bioorg Med Chem Lett 27: 855-861 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.016
BindingDB Entry DOI: 10.7270/Q2BR8VFH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232449
PNG
(CHEMBL4072750)
Show SMILES C[C@H]1CN(C[C@@H](C)N1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C1COC1
Show InChI InChI=1S/C29H36N8O2/c1-19-14-34(24-16-39-17-24)15-20(2)35(19)23-5-3-4-21(12-23)27-13-25(28-29(30)31-18-33-37(27)28)26-6-9-32-36(26)22-7-10-38-11-8-22/h3-6,9,12-13,18-20,22,24H,7-8,10-11,14-17H2,1-2H3,(H2,30,31,33)/t19-,20+
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n/an/a 193n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in human whole blood assessed as suppression of CD69 expression incubated for 60 mins


Bioorg Med Chem Lett 27: 855-861 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.016
BindingDB Entry DOI: 10.7270/Q2BR8VFH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232431
PNG
(CHEMBL4087086 | US10214537, Example 263)
Show SMILES C[C@H]1CN(C)C[C@@H](C)N1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Show InChI InChI=1S/C27H34N8O/c1-18-15-32(3)16-19(2)33(18)22-6-4-5-20(13-22)25-14-23(26-27(28)29-17-31-35(25)26)24-7-10-30-34(24)21-8-11-36-12-9-21/h4-7,10,13-14,17-19,21H,8-9,11-12,15-16H2,1-3H3,(H2,28,29,31)/t18-,19+
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n/an/a 239n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in human whole blood assessed as suppression of CD69 expression incubated for 60 mins


Bioorg Med Chem Lett 27: 855-861 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.016
BindingDB Entry DOI: 10.7270/Q2BR8VFH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232453
PNG
(CHEMBL4091906 | US10214537, Example 271)
Show SMILES C[C@H]1CN(C[C@@H](C)N1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C(=O)C(C)(C)O
Show InChI InChI=1S/C30H38N8O3/c1-19-16-35(29(39)30(3,4)40)17-20(2)36(19)23-7-5-6-21(14-23)26-15-24(27-28(31)32-18-34-38(26)27)25-8-11-33-37(25)22-9-12-41-13-10-22/h5-8,11,14-15,18-20,22,40H,9-10,12-13,16-17H2,1-4H3,(H2,31,32,34)/t19-,20+
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n/an/a 291n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in human whole blood assessed as suppression of CD69 expression incubated for 60 mins


Bioorg Med Chem Lett 27: 855-861 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.016
BindingDB Entry DOI: 10.7270/Q2BR8VFH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232432
PNG
(CHEMBL4065659)
Show SMILES C[C@H]1CNC[C@@H](C)N1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Show InChI InChI=1S/C26H32N8O/c1-17-14-28-15-18(2)32(17)21-5-3-4-19(12-21)24-13-22(25-26(27)29-16-31-34(24)25)23-6-9-30-33(23)20-7-10-35-11-8-20/h3-6,9,12-13,16-18,20,28H,7-8,10-11,14-15H2,1-2H3,(H2,27,29,31)/t17-,18+
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n/an/a 314n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in human whole blood assessed as suppression of CD69 expression incubated for 60 mins


Bioorg Med Chem Lett 27: 855-861 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.016
BindingDB Entry DOI: 10.7270/Q2BR8VFH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232442
PNG
(CHEMBL4093336 | US10214537, Example 302)
Show SMILES CC(C)n1nccc1-c1cc(-c2cccc(c2)N2CCN(CC2)C(C)=O)n2ncnc(N)c12
Show InChI InChI=1S/C24H28N8O/c1-16(2)31-21(7-8-27-31)20-14-22(32-23(20)24(25)26-15-28-32)18-5-4-6-19(13-18)30-11-9-29(10-12-30)17(3)33/h4-8,13-16H,9-12H2,1-3H3,(H2,25,26,28)
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n/an/a 422n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in BCR-stimulated human B cells assessed as suppression of CD86 expression after 18 hrs by FACS analysis


Bioorg Med Chem Lett 27: 855-861 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.016
BindingDB Entry DOI: 10.7270/Q2BR8VFH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232443
PNG
(CHEMBL4098611 | US10214537, Example 303)
Show SMILES CC(=O)N1CCN(CC1)c1cccc(c1)-c1cc(-c2ccnn2C2CC2)c2c(N)ncnn12
Show InChI InChI=1S/C24H26N8O/c1-16(33)29-9-11-30(12-10-29)19-4-2-3-17(13-19)22-14-20(23-24(25)26-15-28-32(22)23)21-7-8-27-31(21)18-5-6-18/h2-4,7-8,13-15,18H,5-6,9-12H2,1H3,(H2,25,26,28)
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n/an/a 681n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in BCR-stimulated human B cells assessed as suppression of CD86 expression after 18 hrs by FACS analysis


Bioorg Med Chem Lett 27: 855-861 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.016
BindingDB Entry DOI: 10.7270/Q2BR8VFH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50232430
PNG
(CHEMBL4061855 | US10214537, Example 262)
Show SMILES C[C@H]1CN(C[C@@H](C)N1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C(C)=O
Show InChI InChI=1S/C28H34N8O2/c1-18-15-33(20(3)37)16-19(2)34(18)23-6-4-5-21(13-23)26-14-24(27-28(29)30-17-32-36(26)27)25-7-10-31-35(25)22-8-11-38-12-9-22/h4-7,10,13-14,17-19,22H,8-9,11-12,15-16H2,1-3H3,(H2,29,30,32)/t18-,19+
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n/an/a 795n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta (unknown origin) using PIP2:PS as substrate incubated for 30 mins by ADP-Glo assay


Bioorg Med Chem Lett 27: 855-861 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.016
BindingDB Entry DOI: 10.7270/Q2BR8VFH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232448
PNG
(CHEMBL4072625)
Show SMILES CC(=O)N1CCN(CC1)c1cccc(c1)-c1cc(-c2ccnn2C2COC2)c2c(N)ncnn12
Show InChI InChI=1S/C24H26N8O2/c1-16(33)29-7-9-30(10-8-29)18-4-2-3-17(11-18)22-12-20(23-24(25)26-15-28-32(22)23)21-5-6-27-31(21)19-13-34-14-19/h2-6,11-12,15,19H,7-10,13-14H2,1H3,(H2,25,26,28)
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n/an/a 1.21E+3n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in human whole blood assessed as suppression of CD69 expression incubated for 60 mins


Bioorg Med Chem Lett 27: 855-861 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.016
BindingDB Entry DOI: 10.7270/Q2BR8VFH
More data for this
Ligand-Target Pair