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Compile Data Set for Download or QSAR

Found 824 hits of ki for UniProtKB: P27986   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50573157
PNG
(CHEMBL4850297)
Show SMILES COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1ccc(CN2CCN(CC2)C(C)C)cc1)C1=CCOCC1 |t:38|
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0.0100n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal His6-tagged full length P110delta/full length untagged human p85alpha expressed in baculovirus infected Sf...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01102
BindingDB Entry DOI: 10.7270/Q2N87FKX
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50573166
PNG
(CHEMBL4869783)
Show SMILES COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1ccc(CN2C[C@H](C)O[C@H](C)C2)cc1)C1=CCOCC1 |r,t:37|
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0.0100n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal His6-tagged full length P110delta/full length untagged human p85alpha expressed in baculovirus infected Sf...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01102
BindingDB Entry DOI: 10.7270/Q2N87FKX
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50573177
PNG
(CHEMBL4167702)
Show SMILES COc1ncc(cc1S(=O)(=O)Nc1ccnc(c1)-c1ccc(CN2CCN(CC2)C(C)C)cc1F)N1CCOCC1
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0.0126n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal His6-tagged full length P110delta/full length untagged human p85alpha expressed in baculovirus infected Sf...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01102
BindingDB Entry DOI: 10.7270/Q2N87FKX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50573167
PNG
(CHEMBL4858875)
Show SMILES COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1ccc(CN2C[C@H](C)N(C)[C@H](C)C2)cc1)C1=CCOCC1 |r,t:38|
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0.0158n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal His6-tagged full length P110delta/full length untagged human p85alpha expressed in baculovirus infected Sf...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01102
BindingDB Entry DOI: 10.7270/Q2N87FKX
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM50149477
PNG
(CHEMBL3770993 | US10851091, U.S. Pat. No. 8,242,10...)
Show SMILES CC(C)n1ncnc1-c1cn2CCOc3cc(ccc3-c2n1)N1CCC[C@H]1C(N)=O |r|
Show InChI InChI=1S/C21H25N7O2/c1-13(2)28-21(23-12-24-28)16-11-26-8-9-30-18-10-14(5-6-15(18)20(26)25-16)27-7-3-4-17(27)19(22)29/h5-6,10-13,17H,3-4,7-9H2,1-2H3,(H2,22,29)/t17-/m0/s1
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Similars

US Patent
0.0160n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10112932 (2018)


BindingDB Entry DOI: 10.7270/Q2JQ132B
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM340314
PNG
((Scheme A): Preparation of 2,2-difluoroethyl (3S)-...)
Show SMILES Nc1ncc(cn1)-c1nc(nc(N[C@@]2(CO)CCN(C2)C(=O)OCC(F)F)c1F)N1CCOCC1 |r|
Show InChI InChI=1S/C20H25F3N8O4/c21-13(22)9-35-19(33)31-2-1-20(10-31,11-32)29-16-14(23)15(12-7-25-17(24)26-8-12)27-18(28-16)30-3-5-34-6-4-30/h7-8,13,32H,1-6,9-11H2,(H2,24,25,26)(H,27,28,29)/t20-/m0/s1
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<0.0180n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full-length PI3K p110alpha/p85alpha (322 to 600) expressed in baculovirus infected Sf21 cells using phosphatidylinosi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01652
BindingDB Entry DOI: 10.7270/Q2TH8RC9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM340429
PNG
(US9758538, Example 118)
Show SMILES CCOC(=O)N1CC[C@@](CO)(C1)Nc1nc(nc(n1)-c1cnc(N)nc1)N1CCOC[C@@H]1C |r|
Show InChI InChI=1S/C20H29N9O4/c1-3-33-19(31)28-5-4-20(11-28,12-30)27-17-24-15(14-8-22-16(21)23-9-14)25-18(26-17)29-6-7-32-10-13(29)2/h8-9,13,30H,3-7,10-12H2,1-2H3,(H2,21,22,23)(H,24,25,26,27)/t13-,20-/m0/s1
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<0.0180n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
The biochemical assays of kinase activity of full-length PI3Kα (full-length p110α/p85α) or truncated PI3Kα (p110α/iSH2 p85&#...


US Patent US9758538 (2017)


BindingDB Entry DOI: 10.7270/Q27D2X70
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM340430
PNG
(US9758538, Example 119)
Show SMILES C[C@H]1COCCN1c1nc(N[C@@]2(CO)CCN(C2)C(=O)OCC(F)F)c(F)c(n1)-c1cnc(N)nc1 |r|
Show InChI InChI=1S/C21H27F3N8O4/c1-12-8-35-5-4-32(12)19-28-16(13-6-26-18(25)27-7-13)15(24)17(29-19)30-21(11-33)2-3-31(10-21)20(34)36-9-14(22)23/h6-7,12,14,33H,2-5,8-11H2,1H3,(H2,25,26,27)(H,28,29,30)/t12-,21-/m0/s1
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<0.0180n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
The biochemical assays of kinase activity of full-length PI3Kα (full-length p110α/p85α) or truncated PI3Kα (p110α/iSH2 p85&#...


US Patent US9758538 (2017)


BindingDB Entry DOI: 10.7270/Q27D2X70
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM340431
PNG
(US9758538, Example 120)
Show SMILES C[C@H]1COCCN1c1nc(N[C@@]2(CO)CCN(C2)C(=O)C2CC2)c(F)c(n1)-c1cnc(N)nc1 |r|
Show InChI InChI=1S/C22H29FN8O3/c1-13-10-34-7-6-31(13)21-27-17(15-8-25-20(24)26-9-15)16(23)18(28-21)29-22(12-32)4-5-30(11-22)19(33)14-2-3-14/h8-9,13-14,32H,2-7,10-12H2,1H3,(H2,24,25,26)(H,27,28,29)/t13-,22-/m0/s1
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<0.0180n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
The biochemical assays of kinase activity of full-length PI3Kα (full-length p110α/p85α) or truncated PI3Kα (p110α/iSH2 p85&#...


US Patent US9758538 (2017)


BindingDB Entry DOI: 10.7270/Q27D2X70
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM340449
PNG
(US9758538, Example 139)
Show SMILES Nc1ncc(cn1)-c1nc(nc(N[C@@]2(CO)CCN(C2)C(=O)OCCF)c1F)N1CCOCC1 |r|
Show InChI InChI=1S/C20H26F2N8O4/c21-2-6-34-19(32)30-3-1-20(11-30,12-31)28-16-14(22)15(13-9-24-17(23)25-10-13)26-18(27-16)29-4-7-33-8-5-29/h9-10,31H,1-8,11-12H2,(H2,23,24,25)(H,26,27,28)/t20-/m0/s1
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<0.0180n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
The biochemical assays of kinase activity of full-length PI3Kα (full-length p110α/p85α) or truncated PI3Kα (p110α/iSH2 p85&#...


US Patent US9758538 (2017)


BindingDB Entry DOI: 10.7270/Q27D2X70
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM340450
PNG
(US9758538, Example 140)
Show SMILES Nc1ncc(cn1)-c1nc(nc(N[C@@]2(CO)CCN(C2)C(=O)OCC(F)(F)F)c1F)N1CCOCC1 |r|
Show InChI InChI=1S/C20H24F4N8O4/c21-13-14(12-7-26-16(25)27-8-12)28-17(31-3-5-35-6-4-31)29-15(13)30-19(10-33)1-2-32(9-19)18(34)36-11-20(22,23)24/h7-8,33H,1-6,9-11H2,(H2,25,26,27)(H,28,29,30)/t19-/m0/s1
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<0.0180n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
The biochemical assays of kinase activity of full-length PI3Kα (full-length p110α/p85α) or truncated PI3Kα (p110α/iSH2 p85&#...


US Patent US9758538 (2017)


BindingDB Entry DOI: 10.7270/Q27D2X70
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM340459
PNG
(US9758538, Example 149)
Show SMILES Nc1ncc(cn1)-c1nc(nc(N[C@@]2(CO)CCCN(C2)C(=O)OCC(F)F)c1F)N1CCOCC1 |r|
Show InChI InChI=1S/C21H27F3N8O4/c22-14(23)10-36-20(34)32-3-1-2-21(11-32,12-33)30-17-15(24)16(13-8-26-18(25)27-9-13)28-19(29-17)31-4-6-35-7-5-31/h8-9,14,33H,1-7,10-12H2,(H2,25,26,27)(H,28,29,30)/t21-/m0/s1
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<0.0180n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
The biochemical assays of kinase activity of full-length PI3Kα (full-length p110α/p85α) or truncated PI3Kα (p110α/iSH2 p85&#...


US Patent US9758538 (2017)


BindingDB Entry DOI: 10.7270/Q27D2X70
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM340464
PNG
(US9758538, Example 154)
Show SMILES COC(=O)N1CCC[C@@](CO)(C1)Nc1nc(nc(c1F)-c1cnc(N)nc1)N1CCOCC1 |r|
Show InChI InChI=1S/C20H27FN8O4/c1-32-19(31)29-4-2-3-20(11-29,12-30)27-16-14(21)15(13-9-23-17(22)24-10-13)25-18(26-16)28-5-7-33-8-6-28/h9-10,30H,2-8,11-12H2,1H3,(H2,22,23,24)(H,25,26,27)/t20-/m0/s1
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<0.0180n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
The biochemical assays of kinase activity of full-length PI3Kα (full-length p110α/p85α) or truncated PI3Kα (p110α/iSH2 p85&#...


US Patent US9758538 (2017)


BindingDB Entry DOI: 10.7270/Q27D2X70
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM340358
PNG
(US9758538, Example 46)
Show SMILES Nc1ncc(cn1)-c1cc(N[C@@]2(CO)CCN(C2)C(=O)[C@@H]2CC2(F)F)nc(n1)N1CCOCC1 |r|
Show InChI InChI=1S/C21H26F2N8O3/c22-21(23)8-14(21)17(33)31-2-1-20(11-31,12-32)29-16-7-15(13-9-25-18(24)26-10-13)27-19(28-16)30-3-5-34-6-4-30/h7,9-10,14,32H,1-6,8,11-12H2,(H2,24,25,26)(H,27,28,29)/t14-,20-/m0/s1
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<0.0180n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
The biochemical assays of kinase activity of full-length PI3Kα (full-length p110α/p85α) or truncated PI3Kα (p110α/iSH2 p85&#...


US Patent US9758538 (2017)


BindingDB Entry DOI: 10.7270/Q27D2X70
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM340368
PNG
(US9758538, Example 56)
Show SMILES Nc1ncc(cn1)-c1cc(N[C@@]2(CO)CCN(C2)C(=O)C2(F)CC2)nc(n1)N1CCOCC1 |r|
Show InChI InChI=1S/C21H27FN8O3/c22-21(1-2-21)17(32)30-4-3-20(12-30,13-31)28-16-9-15(14-10-24-18(23)25-11-14)26-19(27-16)29-5-7-33-8-6-29/h9-11,31H,1-8,12-13H2,(H2,23,24,25)(H,26,27,28)/t20-/m0/s1
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<0.0180n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
The biochemical assays of kinase activity of full-length PI3Kα (full-length p110α/p85α) or truncated PI3Kα (p110α/iSH2 p85&#...


US Patent US9758538 (2017)


BindingDB Entry DOI: 10.7270/Q27D2X70
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM340376
PNG
(US9758538, Example 64)
Show SMILES CCOC(=O)N1CC[C@@](CO)(C1)Nc1cc(nc(n1)N1CCOC[C@@H]1C)-c1cnc(N)nc1 |r|
Show InChI InChI=1S/C21H30N8O4/c1-3-33-20(31)28-5-4-21(12-28,13-30)27-17-8-16(15-9-23-18(22)24-10-15)25-19(26-17)29-6-7-32-11-14(29)2/h8-10,14,30H,3-7,11-13H2,1-2H3,(H2,22,23,24)(H,25,26,27)/t14-,21-/m0/s1
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<0.0180n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
The biochemical assays of kinase activity of full-length PI3Kα (full-length p110α/p85α) or truncated PI3Kα (p110α/iSH2 p85&#...


US Patent US9758538 (2017)


BindingDB Entry DOI: 10.7270/Q27D2X70
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM340377
PNG
(US9758538, Example 65)
Show SMILES COC(=O)N1CC[C@@](CO)(C1)Nc1cc(nc(n1)N1CCOC[C@@H]1C)-c1cnc(N)nc1 |r|
Show InChI InChI=1S/C20H28N8O4/c1-13-10-32-6-5-28(13)18-24-15(14-8-22-17(21)23-9-14)7-16(25-18)26-20(12-29)3-4-27(11-20)19(30)31-2/h7-9,13,29H,3-6,10-12H2,1-2H3,(H2,21,22,23)(H,24,25,26)/t13-,20-/m0/s1
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<0.0180n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
The biochemical assays of kinase activity of full-length PI3Kα (full-length p110α/p85α) or truncated PI3Kα (p110α/iSH2 p85&#...


US Patent US9758538 (2017)


BindingDB Entry DOI: 10.7270/Q27D2X70
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM340384
PNG
(US9758538, Example 72)
Show SMILES COC(=O)N1CC[C@@](CO)(C1)Nc1nc(nc(c1F)-c1cnc(N)nc1)N1CCOCC1 |r|
Show InChI InChI=1S/C19H25FN8O4/c1-31-18(30)28-3-2-19(10-28,11-29)26-15-13(20)14(12-8-22-16(21)23-9-12)24-17(25-15)27-4-6-32-7-5-27/h8-9,29H,2-7,10-11H2,1H3,(H2,21,22,23)(H,24,25,26)/t19-/m0/s1
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<0.0180n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
The biochemical assays of kinase activity of full-length PI3Kα (full-length p110α/p85α) or truncated PI3Kα (p110α/iSH2 p85&#...


US Patent US9758538 (2017)


BindingDB Entry DOI: 10.7270/Q27D2X70
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM340389
PNG
(US9758538, Example 77)
Show SMILES CCCOC(=O)N1CC[C@@](CO)(C1)Nc1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1 |r|
Show InChI InChI=1S/C21H30N8O4/c1-2-7-33-20(31)29-4-3-21(13-29,14-30)27-17-10-16(15-11-23-18(22)24-12-15)25-19(26-17)28-5-8-32-9-6-28/h10-12,30H,2-9,13-14H2,1H3,(H2,22,23,24)(H,25,26,27)/t21-/m0/s1
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<0.0180n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
The biochemical assays of kinase activity of full-length PI3Kα (full-length p110α/p85α) or truncated PI3Kα (p110α/iSH2 p85&#...


US Patent US9758538 (2017)


BindingDB Entry DOI: 10.7270/Q27D2X70
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM340401
PNG
(US9758538, Example 89)
Show SMILES Nc1ncc(cn1)-c1cc(N[C@@]2(CO)CCN(C2)C(=O)N2CCC2)nc(n1)N1CCOCC1 |r|
Show InChI InChI=1S/C21H29N9O3/c22-18-23-11-15(12-24-18)16-10-17(26-19(25-16)28-6-8-33-9-7-28)27-21(14-31)2-5-30(13-21)20(32)29-3-1-4-29/h10-12,31H,1-9,13-14H2,(H2,22,23,24)(H,25,26,27)/t21-/m0/s1
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Assay Description
The biochemical assays of kinase activity of full-length PI3Kα (full-length p110α/p85α) or truncated PI3Kα (p110α/iSH2 p85&#...


US Patent US9758538 (2017)


BindingDB Entry DOI: 10.7270/Q27D2X70
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM340402
PNG
(US9758538, Example 90)
Show SMILES Nc1ncc(cn1)-c1cc(N[C@@]2(CO)CCN(C2)C(=O)c2cn[nH]c2)nc(n1)N1CCOCC1 |r|
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Assay Description
The biochemical assays of kinase activity of full-length PI3Kα (full-length p110α/p85α) or truncated PI3Kα (p110α/iSH2 p85&#...


US Patent US9758538 (2017)


BindingDB Entry DOI: 10.7270/Q27D2X70
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM340404
PNG
(US9758538, Example 92)
Show SMILES Nc1ncc(cn1)-c1cc(N[C@@]2(CO)CCN(C2)C(=O)C2CC2)nc(n1)N1CCOCC1 |r|
Show InChI InChI=1S/C21H28N8O3/c22-19-23-10-15(11-24-19)16-9-17(26-20(25-16)28-5-7-32-8-6-28)27-21(13-30)3-4-29(12-21)18(31)14-1-2-14/h9-11,14,30H,1-8,12-13H2,(H2,22,23,24)(H,25,26,27)/t21-/m0/s1
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Assay Description
The biochemical assays of kinase activity of full-length PI3Kα (full-length p110α/p85α) or truncated PI3Kα (p110α/iSH2 p85&#...


US Patent US9758538 (2017)


BindingDB Entry DOI: 10.7270/Q27D2X70
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM340405
PNG
(US9758538, Example 93)
Show SMILES Nc1ncc(cn1)-c1cc(N[C@@]2(CO)CCN(C2)C(=O)OC2CC2)nc(n1)N1CCOCC1 |r|
Show InChI InChI=1S/C21H28N8O4/c22-18-23-10-14(11-24-18)16-9-17(26-19(25-16)28-5-7-32-8-6-28)27-21(13-30)3-4-29(12-21)20(31)33-15-1-2-15/h9-11,15,30H,1-8,12-13H2,(H2,22,23,24)(H,25,26,27)/t21-/m0/s1
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Assay Description
The biochemical assays of kinase activity of full-length PI3Kα (full-length p110α/p85α) or truncated PI3Kα (p110α/iSH2 p85&#...


US Patent US9758538 (2017)


BindingDB Entry DOI: 10.7270/Q27D2X70
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM340409
PNG
(US9758538, Example 97)
Show SMILES Nc1ncc(cn1)-c1cc(N[C@@]2(CO)CCN(C2)C(=O)C2(F)CNC2)nc(n1)N1CCOCC1 |r|
Show InChI InChI=1S/C21H28FN9O3/c22-21(10-24-11-21)17(33)31-2-1-20(12-31,13-32)29-16-7-15(14-8-25-18(23)26-9-14)27-19(28-16)30-3-5-34-6-4-30/h7-9,24,32H,1-6,10-13H2,(H2,23,25,26)(H,27,28,29)/t20-/m0/s1
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Assay Description
The biochemical assays of kinase activity of full-length PI3Kα (full-length p110α/p85α) or truncated PI3Kα (p110α/iSH2 p85&#...


US Patent US9758538 (2017)


BindingDB Entry DOI: 10.7270/Q27D2X70
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM340414
PNG
(US9758538, Example 102)
Show SMILES C[C@H]1COCCN1c1nc(N[C@@]2(CO)CCN(C2)C(=O)OC2CC2)cc(n1)-c1cnc(N)nc1 |r|
Show InChI InChI=1S/C22H30N8O4/c1-14-11-33-7-6-30(14)20-26-17(15-9-24-19(23)25-10-15)8-18(27-20)28-22(13-31)4-5-29(12-22)21(32)34-16-2-3-16/h8-10,14,16,31H,2-7,11-13H2,1H3,(H2,23,24,25)(H,26,27,28)/t14-,22-/m0/s1
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Assay Description
The biochemical assays of kinase activity of full-length PI3Kα (full-length p110α/p85α) or truncated PI3Kα (p110α/iSH2 p85&#...


US Patent US9758538 (2017)


BindingDB Entry DOI: 10.7270/Q27D2X70
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM340423
PNG
(US9758538, Example 111)
Show SMILES C[C@H]1COCCN1c1nc(N[C@@]2(CO)CCN(C2)C(=O)OC(C)(C)C)c(F)c(n1)-c1cnc(N)nc1 |r|
Show InChI InChI=1S/C23H33FN8O4/c1-14-11-35-8-7-32(14)20-28-17(15-9-26-19(25)27-10-15)16(24)18(29-20)30-23(13-33)5-6-31(12-23)21(34)36-22(2,3)4/h9-10,14,33H,5-8,11-13H2,1-4H3,(H2,25,26,27)(H,28,29,30)/t14-,23-/m0/s1
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Assay Description
The biochemical assays of kinase activity of full-length PI3Kα (full-length p110α/p85α) or truncated PI3Kα (p110α/iSH2 p85&#...


US Patent US9758538 (2017)


BindingDB Entry DOI: 10.7270/Q27D2X70
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM340426
PNG
(US9758538, Example 114)
Show SMILES COC(=O)N1CC[C@@](CO)(C1)Nc1nc(nc(c1F)-c1cnc(N)nc1)N1CCOC[C@@H]1C |r|
Show InChI InChI=1S/C20H27FN8O4/c1-12-9-33-6-5-29(12)18-25-15(13-7-23-17(22)24-8-13)14(21)16(26-18)27-20(11-30)3-4-28(10-20)19(31)32-2/h7-8,12,30H,3-6,9-11H2,1-2H3,(H2,22,23,24)(H,25,26,27)/t12-,20-/m0/s1
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Assay Description
The biochemical assays of kinase activity of full-length PI3Kα (full-length p110α/p85α) or truncated PI3Kα (p110α/iSH2 p85&#...


US Patent US9758538 (2017)


BindingDB Entry DOI: 10.7270/Q27D2X70
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM340428
PNG
(US9758538, Example 117)
Show SMILES C[C@H]1COCCN1c1nc(N[C@@]2(CO)CCN(C2)C(=O)OC2CC2)c(F)c(n1)-c1cnc(N)nc1 |r|
Show InChI InChI=1S/C22H29FN8O4/c1-13-10-34-7-6-31(13)20-27-17(14-8-25-19(24)26-9-14)16(23)18(28-20)29-22(12-32)4-5-30(11-22)21(33)35-15-2-3-15/h8-9,13,15,32H,2-7,10-12H2,1H3,(H2,24,25,26)(H,27,28,29)/t13-,22-/m0/s1
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Assay Description
The biochemical assays of kinase activity of full-length PI3Kα (full-length p110α/p85α) or truncated PI3Kα (p110α/iSH2 p85&#...


US Patent US9758538 (2017)


BindingDB Entry DOI: 10.7270/Q27D2X70
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM340384
PNG
(US9758538, Example 72)
Show SMILES COC(=O)N1CC[C@@](CO)(C1)Nc1nc(nc(c1F)-c1cnc(N)nc1)N1CCOCC1 |r|
Show InChI InChI=1S/C19H25FN8O4/c1-31-18(30)28-3-2-19(10-28,11-29)26-15-13(20)14(12-8-22-16(21)23-9-12)24-17(25-15)27-4-6-32-7-5-27/h8-9,29H,2-7,10-11H2,1H3,(H2,21,22,23)(H,24,25,26)/t19-/m0/s1
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Assay Description
Inhibition of recombinant human full-length PI3K p110alpha/p85alpha (322 to 600) expressed in baculovirus infected Sf21 cells using phosphatidylinosi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01652
BindingDB Entry DOI: 10.7270/Q2TH8RC9
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM340336
PNG
(US9758538, Example 24)
Show SMILES CC(C)(C)OC(=O)N1CC[C@@](CO)(C1)Nc1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1 |r|
Show InChI InChI=1S/C22H32N8O4/c1-21(2,3)34-20(32)30-5-4-22(13-30,14-31)28-17-10-16(15-11-24-18(23)25-12-15)26-19(27-17)29-6-8-33-9-7-29/h10-12,31H,4-9,13-14H2,1-3H3,(H2,23,24,25)(H,26,27,28)/t22-/m0/s1
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Inhibition of recombinant human full-length PI3K p110alpha/p85alpha (322 to 600) expressed in baculovirus infected Sf21 cells using phosphatidylinosi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01652
BindingDB Entry DOI: 10.7270/Q2TH8RC9
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM207378
PNG
(US9260439, 262)
Show SMILES CC(C)C(=O)N1CC[C@@](C)(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C23H32N8O2/c1-15(2)20(32)30-7-5-23(3,14-30)31-6-4-17-18(16-12-25-21(24)26-13-16)27-22(28-19(17)31)29-8-10-33-11-9-29/h12-13,15H,4-11,14H2,1-3H3,(H2,24,25,26)/t23-/m0/s1
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Assay Description
Inhibition of recombinant human full-length PI3K p110alpha/p85alpha (322 to 600) expressed in baculovirus infected Sf21 cells using phosphatidylinosi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01652
BindingDB Entry DOI: 10.7270/Q2TH8RC9
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM340350
PNG
(US9758538, Example 38)
Show SMILES CC(C)(C)OC(=O)N1CC[C@@](CO)(C1)Nc1nc(nc(c1F)-c1cnc(N)nc1)N1CCOCC1 |r|
Show InChI InChI=1S/C22H31FN8O4/c1-21(2,3)35-20(33)31-5-4-22(12-31,13-32)29-17-15(23)16(14-10-25-18(24)26-11-14)27-19(28-17)30-6-8-34-9-7-30/h10-11,32H,4-9,12-13H2,1-3H3,(H2,24,25,26)(H,27,28,29)/t22-/m0/s1
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Assay Description
The biochemical assays of kinase activity of full-length PI3Kα (full-length p110α/p85α) or truncated PI3Kα (p110α/iSH2 p85&#...


US Patent US9758538 (2017)


BindingDB Entry DOI: 10.7270/Q27D2X70
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM207217
PNG
(US9260439, 194 | US9260439, 238 | US9260439, 239)
Show SMILES CC(C)(C)OC(=O)N1CC[C@@](C)(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r|
Show InChI InChI=1S/C24H34N8O3/c1-23(2,3)35-22(33)31-8-6-24(4,15-31)32-7-5-17-18(16-13-26-20(25)27-14-16)28-21(29-19(17)32)30-9-11-34-12-10-30/h13-14H,5-12,15H2,1-4H3,(H2,25,26,27)/t24-/m0/s1
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Assay Description
Inhibition of recombinant human full-length PI3K p110alpha/p85alpha (322 to 600) expressed in baculovirus infected Sf21 cells using phosphatidylinosi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01652
BindingDB Entry DOI: 10.7270/Q2TH8RC9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM207196
PNG
(US9260439, 173)
Show SMILES CNS(=O)(=O)N1CC[C@@](C)(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r|
Show InChI InChI=1S/C20H29N9O3S/c1-20(4-6-28(13-20)33(30,31)22-2)29-5-3-15-16(14-11-23-18(21)24-12-14)25-19(26-17(15)29)27-7-9-32-10-8-27/h11-12,22H,3-10,13H2,1-2H3,(H2,21,23,24)/t20-/m0/s1
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Assay Description
Inhibition of recombinant human full-length PI3K p110alpha/p85alpha (322 to 600) expressed in baculovirus infected Sf21 cells using phosphatidylinosi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01652
BindingDB Entry DOI: 10.7270/Q2TH8RC9
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM340348
PNG
(US9758538, Example 36)
Show SMILES C[C@H]1COCCN1c1nc(N[C@@]2(CO)CCN(C2)C(=O)OC(C)(C)C)cc(n1)-c1cnc(N)nc1 |r|
Show InChI InChI=1S/C23H34N8O4/c1-15-12-34-8-7-31(15)20-27-17(16-10-25-19(24)26-11-16)9-18(28-20)29-23(14-32)5-6-30(13-23)21(33)35-22(2,3)4/h9-11,15,32H,5-8,12-14H2,1-4H3,(H2,24,25,26)(H,27,28,29)/t15-,23-/m0/s1
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Assay Description
The biochemical assays of kinase activity of full-length PI3Kα (full-length p110α/p85α) or truncated PI3Kα (p110α/iSH2 p85&#...


US Patent US9758538 (2017)


BindingDB Entry DOI: 10.7270/Q27D2X70
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM340314
PNG
((Scheme A): Preparation of 2,2-difluoroethyl (3S)-...)
Show SMILES Nc1ncc(cn1)-c1nc(nc(N[C@@]2(CO)CCN(C2)C(=O)OCC(F)F)c1F)N1CCOCC1 |r|
Show InChI InChI=1S/C20H25F3N8O4/c21-13(22)9-35-19(33)31-2-1-20(10-31,11-32)29-16-14(23)15(12-7-25-17(24)26-8-12)27-18(28-16)30-3-5-34-6-4-30/h7-8,13,32H,1-6,9-11H2,(H2,24,25,26)(H,27,28,29)/t20-/m0/s1
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Assay Description
The biochemical assays of kinase activity of full-length PI3Kα (full-length p110α/p85α) or truncated PI3Kα (p110α/iSH2 p85&#...


US Patent US9758538 (2017)


BindingDB Entry DOI: 10.7270/Q27D2X70
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM340317
PNG
(US9758538, Example 5)
Show SMILES COC(=O)N1CCC[C@@](CO)(C1)Nc1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1 |r|
Show InChI InChI=1S/C20H28N8O4/c1-31-19(30)28-4-2-3-20(12-28,13-29)26-16-9-15(14-10-22-17(21)23-11-14)24-18(25-16)27-5-7-32-8-6-27/h9-11,29H,2-8,12-13H2,1H3,(H2,21,22,23)(H,24,25,26)/t20-/m0/s1
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Assay Description
The biochemical assays of kinase activity of full-length PI3Kα (full-length p110α/p85α) or truncated PI3Kα (p110α/iSH2 p85&#...


US Patent US9758538 (2017)


BindingDB Entry DOI: 10.7270/Q27D2X70
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM340319
PNG
(US9758538, Example 7 | US9758538, Example 8 | US97...)
Show SMILES CC(C)(C)OC(=O)N1CCC(CO)(C1)Oc1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1
Show InChI InChI=1S/C22H31N7O5/c1-21(2,3)34-20(31)29-5-4-22(13-29,14-30)33-17-10-16(15-11-24-18(23)25-12-15)26-19(27-17)28-6-8-32-9-7-28/h10-12,30H,4-9,13-14H2,1-3H3,(H2,23,24,25)
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US Patent


Assay Description
The biochemical assays of kinase activity of full-length PI3Kα (full-length p110α/p85α) or truncated PI3Kα (p110α/iSH2 p85&#...


US Patent US9758538 (2017)


BindingDB Entry DOI: 10.7270/Q27D2X70
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM340336
PNG
(US9758538, Example 24)
Show SMILES CC(C)(C)OC(=O)N1CC[C@@](CO)(C1)Nc1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1 |r|
Show InChI InChI=1S/C22H32N8O4/c1-21(2,3)34-20(32)30-5-4-22(13-30,14-31)28-17-10-16(15-11-24-18(23)25-12-15)26-19(27-17)29-6-8-33-9-7-29/h10-12,31H,4-9,13-14H2,1-3H3,(H2,23,24,25)(H,26,27,28)/t22-/m0/s1
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PFIZER INC.

US Patent


Assay Description
The biochemical assays of kinase activity of full-length PI3Kα (full-length p110α/p85α) or truncated PI3Kα (p110α/iSH2 p85&#...


US Patent US9758538 (2017)


BindingDB Entry DOI: 10.7270/Q27D2X70
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM340337
PNG
(US9758538, Example 25 | US9758538, Example 26 | US...)
Show SMILES CN(c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1)C1(CO)CCN(C1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C23H34N8O4/c1-22(2,3)35-21(33)31-6-5-23(14-31,15-32)29(4)18-11-17(16-12-25-19(24)26-13-16)27-20(28-18)30-7-9-34-10-8-30/h11-13,32H,5-10,14-15H2,1-4H3,(H2,24,25,26)
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PFIZER INC.

US Patent


Assay Description
The biochemical assays of kinase activity of full-length PI3Kα (full-length p110α/p85α) or truncated PI3Kα (p110α/iSH2 p85&#...


US Patent US9758538 (2017)


BindingDB Entry DOI: 10.7270/Q27D2X70
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM340346
PNG
(US9758538, Example 34)
Show SMILES COC(=O)N1CC[C@@](CO)(C1)Nc1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1 |r|
Show InChI InChI=1S/C19H26N8O4/c1-30-18(29)27-3-2-19(11-27,12-28)25-15-8-14(13-9-21-16(20)22-10-13)23-17(24-15)26-4-6-31-7-5-26/h8-10,28H,2-7,11-12H2,1H3,(H2,20,21,22)(H,23,24,25)/t19-/m0/s1
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PFIZER INC.

US Patent


Assay Description
The biochemical assays of kinase activity of full-length PI3Kα (full-length p110α/p85α) or truncated PI3Kα (p110α/iSH2 p85&#...


US Patent US9758538 (2017)


BindingDB Entry DOI: 10.7270/Q27D2X70
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM340346
PNG
(US9758538, Example 34)
Show SMILES COC(=O)N1CC[C@@](CO)(C1)Nc1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1 |r|
Show InChI InChI=1S/C19H26N8O4/c1-30-18(29)27-3-2-19(11-27,12-28)25-15-8-14(13-9-21-16(20)22-10-13)23-17(24-15)26-4-6-31-7-5-26/h8-10,28H,2-7,11-12H2,1H3,(H2,20,21,22)(H,23,24,25)/t19-/m0/s1
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TBA

Assay Description
Inhibition of recombinant human full-length PI3K p110alpha/p85alpha (322 to 600) expressed in baculovirus infected Sf21 cells using phosphatidylinosi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01652
BindingDB Entry DOI: 10.7270/Q2TH8RC9
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM295675
PNG
(US10851091, U.S. Pat. No. 8,242,104 No. 469 | US82...)
Show SMILES NC(=O)[C@@H]1CCCN1c1ccc2-c3nc(cn3CCOc2c1)-c1ncnn1CC(F)(F)F |r|
Show InChI InChI=1S/C20H20F3N7O2/c21-20(22,23)10-30-19(25-11-26-30)14-9-28-6-7-32-16-8-12(3-4-13(16)18(28)27-14)29-5-1-2-15(29)17(24)31/h3-4,8-9,11,15H,1-2,5-7,10H2,(H2,24,31)/t15-/m0/s1
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<0.0200n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10112932 (2018)


BindingDB Entry DOI: 10.7270/Q2JQ132B
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM340312
PNG
((Scheme A): Preparation of [(3S)-3-{[2′-amin...)
Show SMILES Nc1ncc(cn1)-c1nc(nc(N[C@@]2(CO)CCN(C2)C(=O)C2(F)CC2)c1F)N1CCOCC1 |r|
Show InChI InChI=1S/C21H26F2N8O3/c22-14-15(13-9-25-18(24)26-10-13)27-19(30-5-7-34-8-6-30)28-16(14)29-20(12-32)3-4-31(11-20)17(33)21(23)1-2-21/h9-10,32H,1-8,11-12H2,(H2,24,25,26)(H,27,28,29)/t20-/m0/s1
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PFIZER INC.

US Patent


Assay Description
The biochemical assays of kinase activity of full-length PI3Kα (full-length p110α/p85α) or truncated PI3Kα (p110α/iSH2 p85&#...


US Patent US9758538 (2017)


BindingDB Entry DOI: 10.7270/Q27D2X70
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM272865
PNG
((S)-2-((1-(2- aminobenzo[d]thiazol- 6-yl)-8,9-dihy...)
Show SMILES NC(=O)[C@@H](Nc1cc2OCCCn3c(nc(c1)c23)-c1ccc2nc(N)sc2c1)C1CC1 |r|
Show InChI InChI=1S/C22H22N6O2S/c23-20(29)18(11-2-3-11)25-13-9-15-19-16(10-13)30-7-1-6-28(19)21(26-15)12-4-5-14-17(8-12)31-22(24)27-14/h4-5,8-11,18,25H,1-3,6-7H2,(H2,23,29)(H2,24,27)/t18-/m0/s1
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Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10435414 (2019)


BindingDB Entry DOI: 10.7270/Q2GX4DXV
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM272903
PNG
((S)-2-((2-(2- aminobenzo[d]oxazol- 5-yl)-3,4-dihyd...)
Show SMILES NC(=O)[C@@H](Nc1cc2OCCn3c(nc(c1)c23)-c1ccc2oc(N)nc2c1)C1CC1 |r|
Show InChI InChI=1S/C21H20N6O3/c22-19(28)17(10-1-2-10)24-12-8-14-18-16(9-12)29-6-5-27(18)20(25-14)11-3-4-15-13(7-11)26-21(23)30-15/h3-4,7-10,17,24H,1-2,5-6H2,(H2,22,28)(H2,23,26)/t17-/m0/s1
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Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10435414 (2019)


BindingDB Entry DOI: 10.7270/Q2GX4DXV
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM414935
PNG
((S)-2-((1- (2-amino- benzo[d] oxazol-5-yl)- 7,8,9,...)
Show SMILES C[C@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1ccc2oc(N)nc2c1)C(N)=O |r|
Show InChI InChI=1S/C21H21N5O4/c1-11(19(22)27)29-13-9-15-18-17(10-13)28-7-3-2-6-26(18)20(24-15)12-4-5-16-14(8-12)25-21(23)30-16/h4-5,8-11H,2-3,6-7H2,1H3,(H2,22,27)(H2,23,25)/t11-/m0/s1
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Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10435414 (2019)


BindingDB Entry DOI: 10.7270/Q2GX4DXV
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM414902
PNG
((S)-2-((1-(2- aminobenzo [d]oxazol-5- yl)-7,8,9,10...)
Show SMILES NC(=O)[C@@H](Nc1cc2OCCCCn3c(nc(c1)c23)-c1ccc2oc(N)nc2c1)C1CC1 |r|
Show InChI InChI=1S/C23H24N6O3/c24-21(30)19(12-3-4-12)26-14-10-16-20-18(11-14)31-8-2-1-7-29(20)22(27-16)13-5-6-17-15(9-13)28-23(25)32-17/h5-6,9-12,19,26H,1-4,7-8H2,(H2,24,30)(H2,25,28)/t19-/m0/s1
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Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10435414 (2019)


BindingDB Entry DOI: 10.7270/Q2GX4DXV
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM415047
PNG
((S)-2-((1-(2- aminothiazolo[5,4- b]pyridin-5-yl)- ...)
Show SMILES COC[C@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1ccc2nc(N)sc2n1)C(O)=O |r|
Show InChI InChI=1S/C21H21N5O5S/c1-29-10-16(20(27)28)31-11-8-14-17-15(9-11)30-7-3-2-6-26(17)18(23-14)12-4-5-13-19(24-12)32-21(22)25-13/h4-5,8-9,16H,2-3,6-7,10H2,1H3,(H2,22,25)(H,27,28)/t16-/m0/s1
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Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10435414 (2019)


BindingDB Entry DOI: 10.7270/Q2GX4DXV
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM273002
PNG
((S)-2-((1-(5-fluoro-6- (1H-1,2,4-triazol-5- yl)pyr...)
Show SMILES C[C@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1cnc(-c2ncn[nH]2)c(F)c1)C(N)=O |r|
Show InChI InChI=1S/C21H20FN7O3/c1-11(19(23)30)32-13-7-15-18-16(8-13)31-5-3-2-4-29(18)21(27-15)12-6-14(22)17(24-9-12)20-25-10-26-28-20/h6-11H,2-5H2,1H3,(H2,23,30)(H,25,26,28)/t11-/m0/s1
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Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10435414 (2019)


BindingDB Entry DOI: 10.7270/Q2GX4DXV
More data for this
Ligand-Target Pair
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