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Patent code US9758538

Compile Data Set for Download or QSAR
Found 157 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Phosphatidylinositol 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
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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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
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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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))		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
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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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
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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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
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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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
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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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
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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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
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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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))		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
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))		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
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))		BDBM340401
PNG
(US9758538, Example 89)
Show SMILES Nc1ncc(cn1)-c1cc(N[C@@]2(CO)CCN(C2)C(=O)N2CCC2)nc(n1)N1CCOCC1
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))		BDBM340404
PNG
(US9758538, Example 92)
Show SMILES Nc1ncc(cn1)-c1cc(N[C@@]2(CO)CCN(C2)C(=O)C2CC2)nc(n1)N1CCOCC1
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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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))		BDBM340405
PNG
(US9758538, Example 93)
Show SMILES Nc1ncc(cn1)-c1cc(N[C@@]2(CO)CCN(C2)C(=O)OC2CC2)nc(n1)N1CCOCC1
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))		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
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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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
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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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
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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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
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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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
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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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
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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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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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))		BDBM340350
PNG
(US9758538, Example 38)
Show SMILES CC(C)(C)OC(=O)N1CC[C@@](CO)(C1)Nc1nc(nc(c1F)-c1cnc(N)nc1)N1CCOCC1
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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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))		BDBM340402
PNG
(US9758538, Example 90)
Show SMILES Nc1ncc(cn1)-c1cc(N[C@@]2(CO)CCN(C2)C(=O)c2cn[nH]c2)nc(n1)N1CCOCC1
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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))		BDBM340429
PNG
(US9758538, Example 118)
Show SMILES CCOC(=O)N1CC[C@@](CO)(C1)Nc1nc(nc(n1)-c1cnc(N)nc1)N1CCOC[C@@H]1C
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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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
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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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))		BDBM340317
PNG
(US9758538, Example 5)
Show SMILES COC(=O)N1CCC[C@@](CO)(C1)Nc1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1
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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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))		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))		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
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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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))		BDBM340426
PNG
(US9758538, Example 114)
Show SMILES COC(=O)N1CC[C@@](CO)(C1)Nc1nc(nc(c1F)-c1cnc(N)nc1)N1CCOC[C@@H]1C
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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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))		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
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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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
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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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))		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
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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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))		BDBM340391
PNG
(US9758538, Example 79)
Show SMILES Nc1ncc(cn1)-c1cc(N[C@@]2(CO)CCN(C2)C(=O)OCC(F)F)nc(n1)N1CCOCC1
Show InChI InChI=1S/C20H26F2N8O4/c21-15(22)10-34-19(32)30-2-1-20(11-30,12-31)28-16-7-14(13-8-24-17(23)25-9-13)26-18(27-16)29-3-5-33-6-4-29/h7-9,15,31H,1-6,10-12H2,(H2,23,24,25)(H,26,27,28)/t20-/m0/s1
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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))		BDBM340357
PNG
(US9758538, Example 45)
Show SMILES CCOC(=O)N1CC[C@@](CO)(C1)Nc1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1
Show InChI InChI=1S/C20H28N8O4/c1-2-32-19(30)28-4-3-20(12-28,13-29)26-16-9-15(14-10-22-17(21)23-11-14)24-18(25-16)27-5-7-31-8-6-27/h9-11,29H,2-8,12-13H2,1H3,(H2,21,22,23)(H,24,25,26)/t20-/m0/s1
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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))		BDBM340359
PNG
(US9758538, Example 47)
Show SMILES CC1(CC1)OC(=O)N1CC[C@@](CO)(C1)Nc1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1
Show InChI InChI=1S/C22H30N8O4/c1-21(2-3-21)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,2-9,13-14H2,1H3,(H2,23,24,25)(H,26,27,28)/t22-/m0/s1
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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))		BDBM340378
PNG
(US9758538, Example 66)
Show SMILES CC(C)OC(=O)N1CC[C@@](CO)(C1)Nc1cc(nc(n1)N1CCOC[C@@H]1C)-c1cnc(N)nc1
Show InChI InChI=1S/C22H32N8O4/c1-14(2)34-21(32)29-5-4-22(12-29,13-31)28-18-8-17(16-9-24-19(23)25-10-16)26-20(27-18)30-6-7-33-11-15(30)3/h8-10,14-15,31H,4-7,11-13H2,1-3H3,(H2,23,24,25)(H,26,27,28)/t15-,22-/m0/s1
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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))		BDBM340398
PNG
(US9758538, Example 86)
Show SMILES Nc1ncc(cn1)-c1cc(N[C@@]2(CO)CCN(C2)C(=O)c2ncc[nH]2)nc(n1)N1CCOCC1
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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))		BDBM340394
PNG
(US9758538, Example 82)
Show SMILES CCOC(=O)N1CC[C@@](CO)(C1)Nc1nc(nc(n1)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C19H27N9O4/c1-2-32-18(30)28-4-3-19(11-28,12-29)26-16-23-14(13-9-21-15(20)22-10-13)24-17(25-16)27-5-7-31-8-6-27/h9-10,29H,2-8,11-12H2,1H3,(H2,20,21,22)(H,23,24,25,26)/t19-/m0/s1
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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))		BDBM340411
PNG
(US9758538, Example 99)
Show SMILES Nc1ncc(cn1)-c1nc(N[C@@]2(CO)CCN(C2)C(=O)OCC(F)F)nc(n1)N1CCOCC1
Show InChI InChI=1S/C19H25F2N9O4/c20-13(21)9-34-18(32)30-2-1-19(10-30,11-31)28-16-25-14(12-7-23-15(22)24-8-12)26-17(27-16)29-3-5-33-6-4-29/h7-8,13,31H,1-6,9-11H2,(H2,22,23,24)(H,25,26,27,28)/t19-/m0/s1
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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))		BDBM340334
PNG
(US9758538, Example 22)
Show SMILES CC(C)(C)OC(=O)N1CCC(CO)(C1)Nc1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1
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)
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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))		BDBM340316
PNG
(US9758538, Example 4)
Show SMILES COC(=O)N1CCCC(CO)(C1)Nc1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1
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)
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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))		BDBM340382
PNG
(US9758538, Example 70)
Show SMILES CC(C)OC(=O)N1CC[C@@](CO)(C1)Nc1nc(nc(c1F)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C21H29FN8O4/c1-13(2)34-20(32)30-4-3-21(11-30,12-31)28-17-15(22)16(14-9-24-18(23)25-10-14)26-19(27-17)29-5-7-33-8-6-29/h9-10,13,31H,3-8,11-12H2,1-2H3,(H2,23,24,25)(H,26,27,28)/t21-/m0/s1
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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))		BDBM340356
PNG
(US9758538, Example 44)
Show SMILES CC(C)OC(=O)N1CC[C@@](CO)(C1)Nc1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1
Show InChI InChI=1S/C21H30N8O4/c1-14(2)33-20(31)29-4-3-21(12-29,13-30)27-17-9-16(15-10-23-18(22)24-11-15)25-19(26-17)28-5-7-32-8-6-28/h9-11,14,30H,3-8,12-13H2,1-2H3,(H2,22,23,24)(H,25,26,27)/t21-/m0/s1
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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))		BDBM340408
PNG
(US9758538, Example 96)
Show SMILES C[C@H]1COCCN1c1nc(N[C@@]2(CO)CCN(C2)C(=O)C2CC2)cc(n1)-c1cnc(N)nc1
Show InChI InChI=1S/C22H30N8O3/c1-14-11-33-7-6-30(14)21-26-17(16-9-24-20(23)25-10-16)8-18(27-21)28-22(13-31)4-5-29(12-22)19(32)15-2-3-15/h8-10,14-15,31H,2-7,11-13H2,1H3,(H2,23,24,25)(H,26,27,28)/t14-,22-/m0/s1
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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))		BDBM340427
PNG
(US9758538, Example 115)
Show SMILES Nc1ncc(cn1)-c1nc(nc(N[C@@]2(CO)CCN(C2)C(=O)C2(F)CCC2)c1F)N1CCOCC1
Show InChI InChI=1S/C22H28F2N8O3/c23-15-16(14-10-26-19(25)27-11-14)28-20(31-6-8-35-9-7-31)29-17(15)30-21(13-33)4-5-32(12-21)18(34)22(24)2-1-3-22/h10-11,33H,1-9,12-13H2,(H2,25,26,27)(H,28,29,30)/t21-/m0/s1
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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))		BDBM340420
PNG
(US9758538, Example 108)
Show SMILES CC(C)(C)OC(=O)N1CC[C@@](C)(C1)Nc1nc(nc(c1F)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C22H31FN8O3/c1-21(2,3)34-20(32)31-6-5-22(4,13-31)29-17-15(23)16(14-11-25-18(24)26-12-14)27-19(28-17)30-7-9-33-10-8-30/h11-12H,5-10,13H2,1-4H3,(H2,24,25,26)(H,27,28,29)/t22-/m0/s1
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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))		BDBM340451
PNG
(US9758538, Example 141)
Show SMILES Nc1ncc(cn1)-c1cc(N[C@@]2(CO)CCCN(C2)C(=O)OCC(F)F)nc(n1)N1CCOCC1
Show InChI InChI=1S/C21H28F2N8O4/c22-16(23)11-35-20(33)31-3-1-2-21(12-31,13-32)29-17-8-15(14-9-25-18(24)26-10-14)27-19(28-17)30-4-6-34-7-5-30/h8-10,16,32H,1-7,11-13H2,(H2,24,25,26)(H,27,28,29)/t21-/m0/s1
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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))		BDBM340435
PNG
(US9758538, Example 124)
Show SMILES C[C@H]1COCCN1c1nc(N[C@@]2(CF)CCN(C2)C(=O)OC(C)(C)C)cc(n1)-c1cnc(N)nc1
Show InChI InChI=1S/C23H33FN8O3/c1-15-12-34-8-7-32(15)20-28-17(16-10-26-19(25)27-11-16)9-18(29-20)30-23(13-24)5-6-31(14-23)21(33)35-22(2,3)4/h9-11,15H,5-8,12-14H2,1-4H3,(H2,25,26,27)(H,28,29,30)/t15-,23+/m0/s1
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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))		BDBM340403
PNG
(US9758538, Example 91)
Show SMILES Nc1ncc(cn1)-c1nc(N[C@@]2(CO)CCN(C2)C(=O)C2(F)CC2)nc(n1)N1CCOCC1
Show InChI InChI=1S/C20H26FN9O3/c21-20(1-2-20)15(32)30-4-3-19(11-30,12-31)28-17-25-14(13-9-23-16(22)24-10-13)26-18(27-17)29-5-7-33-8-6-29/h9-10,31H,1-8,11-12H2,(H2,22,23,24)(H,25,26,27,28)/t19-/m0/s1
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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))		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))		BDBM340373
PNG
(US9758538, Example 61)
Show SMILES CC(C)(C)CC(=O)N1CC[C@@](CO)(C1)Nc1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1
Show InChI InChI=1S/C23H34N8O3/c1-22(2,3)11-19(33)31-5-4-23(14-31,15-32)29-18-10-17(16-12-25-20(24)26-13-16)27-21(28-18)30-6-8-34-9-7-30/h10,12-13,32H,4-9,11,14-15H2,1-3H3,(H2,24,25,26)(H,27,28,29)/t23-/m0/s1
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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))		BDBM340380
PNG
(US9758538, Example 68)
Show SMILES CC(C)(F)C(=O)N1CC[C@@](CO)(C1)Nc1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1
Show InChI InChI=1S/C21H29FN8O3/c1-20(2,22)17(32)30-4-3-21(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,3-8,12-13H2,1-2H3,(H2,23,24,25)(H,26,27,28)/t21-/m0/s1
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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))		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))		BDBM340375
PNG
(US9758538, Example 63)
Show SMILES Nc1ncc(cn1)-c1cc(N[C@@]2(CO)CCN(C2)C(=O)c2ccccn2)nc(n1)N1CCOCC1
Show InChI InChI=1S/C23H27N9O3/c24-21-26-12-16(13-27-21)18-11-19(29-22(28-18)31-7-9-35-10-8-31)30-23(15-33)4-6-32(14-23)20(34)17-3-1-2-5-25-17/h1-3,5,11-13,33H,4,6-10,14-15H2,(H2,24,26,27)(H,28,29,30)/t23-/m0/s1
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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))		BDBM340397
PNG
(US9758538, Example 85)
Show SMILES Nc1ncc(cn1)-c1cc(N[C@@]2(CO)CCN(C2)c2ccccn2)nc(n1)N1CCOCC1
Show InChI InChI=1S/C22H27N9O2/c23-20-25-12-16(13-26-20)17-11-18(28-21(27-17)30-7-9-33-10-8-30)29-22(15-32)4-6-31(14-22)19-3-1-2-5-24-19/h1-3,5,11-13,32H,4,6-10,14-15H2,(H2,23,25,26)(H,27,28,29)/t22-/m0/s1
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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))		BDBM340413
PNG
(US9758538, Example 101)
Show SMILES Nc1ncc(cn1)-c1nc(nc(N[C@@]2(CO)CCN(C2)C(=O)OC2CC2)c1F)N1CCOCC1
Show InChI InChI=1S/C21H27FN8O4/c22-15-16(13-9-24-18(23)25-10-13)26-19(29-5-7-33-8-6-29)27-17(15)28-21(12-31)3-4-30(11-21)20(32)34-14-1-2-14/h9-10,14,31H,1-8,11-12H2,(H2,23,24,25)(H,26,27,28)/t21-/m0/s1
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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))		BDBM340410
PNG
(US9758538, Example 98)
Show SMILES Nc1ncc(cn1)-c1cc(N[C@@]2(CO)CCN(CC(=O)N3CCC3)C2)nc(n1)N1CCOCC1
Show InChI InChI=1S/C22H31N9O3/c23-20-24-11-16(12-25-20)17-10-18(27-21(26-17)31-6-8-34-9-7-31)28-22(15-32)2-5-29(14-22)13-19(33)30-3-1-4-30/h10-12,32H,1-9,13-15H2,(H2,23,24,25)(H,26,27,28)/t22-/m0/s1
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 0.0710n/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))		BDBM340422
PNG
(US9758538, Example 110)
Show SMILES CC(C)(C)OC(=O)N1CCC(CF)(C1)Nc1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1
Show InChI InChI=1S/C22H31FN8O3/c1-21(2,3)34-20(32)31-5-4-22(13-23,14-31)29-17-10-16(15-11-25-18(24)26-12-15)27-19(28-17)30-6-8-33-9-7-30/h10-12H,4-9,13-14H2,1-3H3,(H2,24,25,26)(H,27,28,29)
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 0.0720n/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))		BDBM340330
PNG
(US9758538, Example 18)
Show SMILES C[C@H]1COCCN1c1nc(cc(n1)-c1cnc(N)nc1)N(C)[C@@]1(C)CCN(C1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C24H36N8O3/c1-16-14-34-10-9-32(16)21-28-18(17-12-26-20(25)27-13-17)11-19(29-21)30(6)24(5)7-8-31(15-24)22(33)35-23(2,3)4/h11-13,16H,7-10,14-15H2,1-6H3,(H2,25,26,27)/t16-,24-/m0/s1
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 0.0780n/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))		BDBM340361
PNG
(US9758538, Example 49)
Show SMILES C[C@H]1COCCN1c1nc(NC2(CO)CN(C2)C(=O)OC(C)(C)C)cc(n1)-c1cnc(N)nc1
Show InChI InChI=1S/C22H32N8O4/c1-14-10-33-6-5-30(14)19-26-16(15-8-24-18(23)25-9-15)7-17(27-19)28-22(13-31)11-29(12-22)20(32)34-21(2,3)4/h7-9,14,31H,5-6,10-13H2,1-4H3,(H2,23,24,25)(H,26,27,28)/t14-/m0/s1
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 0.0830n/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))		BDBM340364
PNG
(US9758538, Example 52)
Show SMILES CC(C)S(=O)(=O)N1CC[C@@](CO)(C1)Nc1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1
Show InChI InChI=1S/C20H30N8O4S/c1-14(2)33(30,31)28-4-3-20(12-28,13-29)26-17-9-16(15-10-22-18(21)23-11-15)24-19(25-17)27-5-7-32-8-6-27/h9-11,14,29H,3-8,12-13H2,1-2H3,(H2,21,22,23)(H,24,25,26)/t20-/m0/s1
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 0.0840n/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))		BDBM340399
PNG
(US9758538, Example 87)
Show SMILES Nc1ncc(cn1)-c1cc(N[C@@]2(CO)CCN(C2)C(=O)c2ncccn2)nc(n1)N1CCOCC1
Show InChI InChI=1S/C22H26N10O3/c23-20-26-11-15(12-27-20)16-10-17(29-21(28-16)31-6-8-35-9-7-31)30-22(14-33)2-5-32(13-22)19(34)18-24-3-1-4-25-18/h1,3-4,10-12,33H,2,5-9,13-14H2,(H2,23,26,27)(H,28,29,30)/t22-/m0/s1
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 0.0850n/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))		BDBM340421
PNG
(US9758538, Example 109)
Show SMILES CC(C)(N)C(=O)N1CC[C@@](C)(C1)Nc1nc(nc(c1F)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C21H30FN9O2/c1-20(2,24)17(32)31-5-4-21(3,12-31)29-16-14(22)15(13-10-25-18(23)26-11-13)27-19(28-16)30-6-8-33-9-7-30/h10-11H,4-9,12,24H2,1-3H3,(H2,23,25,26)(H,27,28,29)/t21-/m0/s1
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 0.0930n/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))		BDBM340352
PNG
(US9758538, Example 40)
Show SMILES CC(C)(C)OC(=O)N1CC[C@@](C)(C1)Nc1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1
Show InChI InChI=1S/C22H32N8O3/c1-21(2,3)33-20(31)30-6-5-22(4,14-30)28-17-11-16(15-12-24-18(23)25-13-15)26-19(27-17)29-7-9-32-10-8-29/h11-13H,5-10,14H2,1-4H3,(H2,23,24,25)(H,26,27,28)/t22-/m0/s1
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 0.0950n/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))		BDBM340443
PNG
(US9758538, Example 132)
Show SMILES Nc1ncc(cn1)-c1nc(nc(N[C@@]2(CO)CCN(C2)C(=O)NCC(F)F)c1F)N1CCOCC1
Show InChI InChI=1S/C20H26F3N9O3/c21-13(22)9-27-19(34)32-2-1-20(10-32,11-33)30-16-14(23)15(12-7-25-17(24)26-8-12)28-18(29-16)31-3-5-35-6-4-31/h7-8,13,33H,1-6,9-11H2,(H,27,34)(H2,24,25,26)(H,28,29,30)/t20-/m0/s1
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 0.0970n/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))		BDBM340469
PNG
(US9758538, Example 159)
Show SMILES Nc1ncc(cn1)-c1nc(nc(N[C@@]2(CO)CCCN(C2)C(=O)C2(F)CC2)c1F)N1CCOCC1
Show InChI InChI=1S/C22H28F2N8O3/c23-15-16(14-10-26-19(25)27-11-14)28-20(31-6-8-35-9-7-31)29-17(15)30-21(13-33)2-1-5-32(12-21)18(34)22(24)3-4-22/h10-11,33H,1-9,12-13H2,(H2,25,26,27)(H,28,29,30)/t21-/m0/s1
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 0.102n/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))		BDBM340323
PNG
((Scheme B): Preparation of methyl (3S)-3-{[4-(2-am...)
Show SMILES COC(=O)N1CC[C@@](CO)(C1)Nc1nc(nc(n1)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C18H25N9O4/c1-30-17(29)27-3-2-18(10-27,11-28)25-15-22-13(12-8-20-14(19)21-9-12)23-16(24-15)26-4-6-31-7-5-26/h8-9,28H,2-7,10-11H2,1H3,(H2,19,20,21)(H,22,23,24,25)/t18-/m0/s1
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 0.103n/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))		BDBM340351
PNG
(US9758538, Example 39)
Show SMILES CC(C)(C)OC(=O)N1CC[C@@](CO)(C1)Nc1nc(nc(n1)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C21H31N9O4/c1-20(2,3)34-19(32)30-5-4-21(12-30,13-31)28-17-25-15(14-10-23-16(22)24-11-14)26-18(27-17)29-6-8-33-9-7-29/h10-11,31H,4-9,12-13H2,1-3H3,(H2,22,23,24)(H,25,26,27,28)/t21-/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))		BDBM340415
PNG
(US9758538, Example 103)
Show SMILES Nc1ncc(cn1)-c1nc(N[C@@]2(CO)CCN(C2)C(=O)OC2CC2)nc(n1)N1CCOCC1
Show InChI InChI=1S/C20H27N9O4/c21-16-22-9-13(10-23-16)15-24-17(26-18(25-15)28-5-7-32-8-6-28)27-20(12-30)3-4-29(11-20)19(31)33-14-1-2-14/h9-10,14,30H,1-8,11-12H2,(H2,21,22,23)(H,24,25,26,27)/t20-/m0/s1
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 0.107n/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))		BDBM340387
PNG
(US9758538, Example 75)
Show SMILES Nc1ncc(cn1)-c1cc(N[C@@]2(CO)CCN(C2)C(=O)[C@H]2C[C@H]2F)nc(n1)N1CCOCC1
Show InChI InChI=1S/C21H27FN8O3/c22-15-7-14(15)18(32)30-2-1-21(11-30,12-31)28-17-8-16(13-9-24-19(23)25-10-13)26-20(27-17)29-3-5-33-6-4-29/h8-10,14-15,31H,1-7,11-12H2,(H2,23,24,25)(H,26,27,28)/t14-,15+,21-/m0/s1
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 0.116n/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))		BDBM340369
PNG
(US9758538, Example 57)
Show SMILES CC(C)CC(=O)N1CC[C@@](CO)(C1)Nc1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1
Show InChI InChI=1S/C22H32N8O3/c1-15(2)9-19(32)30-4-3-22(13-30,14-31)28-18-10-17(16-11-24-20(23)25-12-16)26-21(27-18)29-5-7-33-8-6-29/h10-12,15,31H,3-9,13-14H2,1-2H3,(H2,23,24,25)(H,26,27,28)/t22-/m0/s1
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 0.116n/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))		BDBM340418
PNG
(US9758538, Example 106)
Show SMILES CC(=O)N1CC[C@@](C)(C1)Nc1nc(nc(c1F)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C19H25FN8O2/c1-12(29)28-4-3-19(2,11-28)26-16-14(20)15(13-9-22-17(21)23-10-13)24-18(25-16)27-5-7-30-8-6-27/h9-10H,3-8,11H2,1-2H3,(H2,21,22,23)(H,24,25,26)/t19-/m0/s1
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 0.120n/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))		BDBM340353
PNG
(US9758538, Example 41)
Show SMILES CC(C)(C)OC(=O)N1CC(CO)(C1)Nc1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1
Show InChI InChI=1S/C21H30N8O4/c1-20(2,3)33-19(31)29-11-21(12-29,13-30)27-16-8-15(14-9-23-17(22)24-10-14)25-18(26-16)28-4-6-32-7-5-28/h8-10,30H,4-7,11-13H2,1-3H3,(H2,22,23,24)(H,25,26,27)
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 0.128n/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))		BDBM340332
PNG
(US9758538, Example 20)
Show SMILES C[C@H]1COCCN1c1nc(cc(n1)-c1cnc(N)nc1)N(C)[C@@]1(C)CCN(C1)C(C)=O
Show InChI InChI=1S/C21H30N8O2/c1-14-12-31-8-7-29(14)20-25-17(16-10-23-19(22)24-11-16)9-18(26-20)27(4)21(3)5-6-28(13-21)15(2)30/h9-11,14H,5-8,12-13H2,1-4H3,(H2,22,23,24)/t14-,21-/m0/s1
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 0.129n/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))		BDBM340347
PNG
(US9758538, Example 35)
Show SMILES CC(C)C(=O)N1CC[C@@](CO)(C1)Nc1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1
Show InChI InChI=1S/C21H30N8O3/c1-14(2)18(31)29-4-3-21(12-29,13-30)27-17-9-16(15-10-23-19(22)24-11-15)25-20(26-17)28-5-7-32-8-6-28/h9-11,14,30H,3-8,12-13H2,1-2H3,(H2,22,23,24)(H,25,26,27)/t21-/m0/s1
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 0.135n/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))		BDBM340362
PNG
(US9758538, Example 50)
Show SMILES CC(C)[C@@H](N)C(=O)N1CC[C@@](CO)(C1)Nc1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1
Show InChI InChI=1S/C22H33N9O3/c1-14(2)18(23)19(33)31-4-3-22(12-31,13-32)29-17-9-16(15-10-25-20(24)26-11-15)27-21(28-17)30-5-7-34-8-6-30/h9-11,14,18,32H,3-8,12-13,23H2,1-2H3,(H2,24,25,26)(H,27,28,29)/t18-,22+/m1/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))		BDBM340432
PNG
(US9758538, Example 121)
Show SMILES CCOC(=O)N1CC[C@@](COC)(C1)Nc1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1
Show InChI InChI=1S/C21H30N8O4/c1-3-33-20(30)29-5-4-21(13-29,14-31-2)27-17-10-16(15-11-23-18(22)24-12-15)25-19(26-17)28-6-8-32-9-7-28/h10-12H,3-9,13-14H2,1-2H3,(H2,22,23,24)(H,25,26,27)/t21-/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))		BDBM340381
PNG
(US9758538, Example 69)
Show SMILES CCOC(=O)N1CC[C@@](CO)(C1)Nc1nc(nc(c1F)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C20H27FN8O4/c1-2-33-19(31)29-4-3-20(11-29,12-30)27-16-14(21)15(13-9-23-17(22)24-10-13)25-18(26-16)28-5-7-32-8-6-28/h9-10,30H,2-8,11-12H2,1H3,(H2,22,23,24)(H,25,26,27)/t20-/m0/s1
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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))		BDBM340386
PNG
(US9758538, Example 74)
Show SMILES Nc1ncc(cn1)-c1cc(N[C@@]2(CO)CCN(C2)C(=O)[C@H]2C[C@@H]2F)nc(n1)N1CCOCC1
Show InChI InChI=1S/C21H27FN8O3/c22-15-7-14(15)18(32)30-2-1-21(11-30,12-31)28-17-8-16(13-9-24-19(23)25-10-13)26-20(27-17)29-3-5-33-6-4-29/h8-10,14-15,31H,1-7,11-12H2,(H2,23,24,25)(H,26,27,28)/t14-,15-,21-/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))		BDBM340331
PNG
(US9758538, Example 19)
Show SMILES C[C@H]1COCCN1c1nc(N[C@@]2(C)CCN(C2)C(=O)OC(C)(C)C)cc(n1)-c1cnc(N)nc1
Show InChI InChI=1S/C23H34N8O3/c1-15-13-33-9-8-31(15)20-27-17(16-11-25-19(24)26-12-16)10-18(28-20)29-23(5)6-7-30(14-23)21(32)34-22(2,3)4/h10-12,15H,6-9,13-14H2,1-5H3,(H2,24,25,26)(H,27,28,29)/t15-,23-/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))		BDBM340374
PNG
(US9758538, Example 62)
Show SMILES CC(C)(C)OC(=O)N1CCC(C1)(Nc1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1)C(F)(F)F
Show InChI InChI=1S/C22H29F3N8O3/c1-20(2,3)36-19(34)33-5-4-21(13-33,22(23,24)25)31-16-10-15(14-11-27-17(26)28-12-14)29-18(30-16)32-6-8-35-9-7-32/h10-12H,4-9,13H2,1-3H3,(H2,26,27,28)(H,29,30,31)
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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))		BDBM340371
PNG
(US9758538, Example 59)
Show SMILES COC(=O)N1CC[C@@](CO)(C1)Nc1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C
Show InChI InChI=1S/C20H28N8O4/c1-13-14(10-22-17(21)23-13)15-9-16(25-18(24-15)27-5-7-32-8-6-27)26-20(12-29)3-4-28(11-20)19(30)31-2/h9-10,29H,3-8,11-12H2,1-2H3,(H2,21,22,23)(H,24,25,26)/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))		BDBM340370
PNG
(US9758538, Example 58)
Show SMILES COC(=O)N1CC[C@@](CO)(C1)Nc1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F
Show InChI InChI=1S/C20H25F3N8O4/c1-34-18(33)31-3-2-19(10-31,11-32)29-14-8-13(26-17(27-14)30-4-6-35-7-5-30)12-9-25-16(24)28-15(12)20(21,22)23/h8-9,32H,2-7,10-11H2,1H3,(H2,24,25,28)(H,26,27,29)/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


(Homo sapiens (Human))		BDBM340340
PNG
(US9758538, Example 28)
Show SMILES CCC1(CCN(C1)C(=O)OC(C)(C)C)Nc1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1
Show InChI InChI=1S/C23H34N8O3/c1-5-23(6-7-31(15-23)21(32)34-22(2,3)4)29-18-12-17(16-13-25-19(24)26-14-16)27-20(28-18)30-8-10-33-11-9-30/h12-14H,5-11,15H2,1-4H3,(H2,24,25,26)(H,27,28,29)
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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))		BDBM340442
PNG
(US9758538, Example 131)
Show SMILES Nc1ncc(cn1)-c1cc(N[C@@]2(CO)CCN(C2)C(=O)NCC(F)F)nc(n1)N1CCOCC1
Show InChI InChI=1S/C20H27F2N9O3/c21-15(22)10-26-19(33)31-2-1-20(11-31,12-32)29-16-7-14(13-8-24-17(23)25-9-13)27-18(28-16)30-3-5-34-6-4-30/h7-9,15,32H,1-6,10-12H2,(H,26,33)(H2,23,24,25)(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))		BDBM340395
PNG
(US9758538, Example 83)
Show SMILES CC(C)OC(=O)N1CC[C@@](CO)(C1)Nc1nc(nc(n1)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C20H29N9O4/c1-13(2)33-19(31)29-4-3-20(11-29,12-30)27-17-24-15(14-9-22-16(21)23-10-14)25-18(26-17)28-5-7-32-8-6-28/h9-10,13,30H,3-8,11-12H2,1-2H3,(H2,21,22,23)(H,24,25,26,27)/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))		BDBM340325
PNG
(US9758538, Example 13)
Show SMILES CN(c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1)[C@@]1(C)CCN(C1)S(C)(=O)=O
Show InChI InChI=1S/C19H28N8O3S/c1-19(4-5-27(13-19)31(3,28)29)25(2)16-10-15(14-11-21-17(20)22-12-14)23-18(24-16)26-6-8-30-9-7-26/h10-12H,4-9,13H2,1-3H3,(H2,20,21,22)/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


(Homo sapiens (Human))		BDBM340419
PNG
(US9758538, Example 107)
Show SMILES CC(C)C(=O)N1CC[C@@](C)(C1)Nc1nc(nc(c1F)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C21H29FN8O2/c1-13(2)18(31)30-5-4-21(3,12-30)28-17-15(22)16(14-10-24-19(23)25-11-14)26-20(27-17)29-6-8-32-9-7-29/h10-11,13H,4-9,12H2,1-3H3,(H2,23,24,25)(H,26,27,28)/t21-/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))		BDBM340456
PNG
(US9758538, Example 146)
Show SMILES CCC(=O)N1CCC[C@@](CO)(C1)Nc1nc(nc(c1F)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C21H29FN8O3/c1-2-15(32)30-5-3-4-21(12-30,13-31)28-18-16(22)17(14-10-24-19(23)25-11-14)26-20(27-18)29-6-8-33-9-7-29/h10-11,31H,2-9,12-13H2,1H3,(H2,23,24,25)(H,26,27,28)/t21-/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))		BDBM340390
PNG
(US9758538, Example 78)
Show SMILES Nc1ncc(cn1)-c1cc(N[C@@]2(CO)CCN(C2)C(=O)N2CCCC2)nc(n1)N1CCOCC1
Show InChI InChI=1S/C22H31N9O3/c23-19-24-12-16(13-25-19)17-11-18(27-20(26-17)29-7-9-34-10-8-29)28-22(15-32)3-6-31(14-22)21(33)30-4-1-2-5-30/h11-13,32H,1-10,14-15H2,(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))		BDBM340345
PNG
(US9758538, Example 33)
Show SMILES CS(=O)(=O)N1CC[C@@](CO)(C1)Nc1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1
Show InChI InChI=1S/C18H26N8O4S/c1-31(28,29)26-3-2-18(11-26,12-27)24-15-8-14(13-9-20-16(19)21-10-13)22-17(23-15)25-4-6-30-7-5-25/h8-10,27H,2-7,11-12H2,1H3,(H2,19,20,21)(H,22,23,24)/t18-/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))		BDBM340393
PNG
(US9758538, Example 81)
Show SMILES Cn1cc(cn1)C(=O)N1CC[C@@](CO)(C1)Nc1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1
Show InChI InChI=1S/C22H28N10O3/c1-30-12-16(11-26-30)19(34)32-3-2-22(13-32,14-33)29-18-8-17(15-9-24-20(23)25-10-15)27-21(28-18)31-4-6-35-7-5-31/h8-12,33H,2-7,13-14H2,1H3,(H2,23,24,25)(H,27,28,29)/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))		BDBM340367
PNG
(US9758538, Example 55)
Show SMILES Nc1ncc(cn1)-c1cc(N[C@@]2(CO)CCN(C2)C(=O)[C@H](O)c2ccccc2)nc(n1)N1CCOCC1
Show InChI InChI=1S/C25H30N8O4/c26-23-27-13-18(14-28-23)19-12-20(30-24(29-19)32-8-10-37-11-9-32)31-25(16-34)6-7-33(15-25)22(36)21(35)17-4-2-1-3-5-17/h1-5,12-14,21,34-35H,6-11,15-16H2,(H2,26,27,28)(H,29,30,31)/t21-,25+/m1/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))		BDBM340407
PNG
(US9758538, Example 95)
Show SMILES CCOC(=O)N1CC[C@](CC)(C1)Nc1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1
Show InChI InChI=1S/C21H30N8O3/c1-3-21(5-6-29(14-21)20(30)32-4-2)27-17-11-16(15-12-23-18(22)24-13-15)25-19(26-17)28-7-9-31-10-8-28/h11-13H,3-10,14H2,1-2H3,(H2,22,23,24)(H,25,26,27)/t21-/m1/s1
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 0.412n/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))		BDBM340396
PNG
(US9758538, Example 84)
Show SMILES CN1CCCC(N2CC[C@@](CO)(C2)Nc2cc(nc(n2)N2CCOCC2)-c2cnc(N)nc2)C1=O
Show InChI InChI=1S/C23H33N9O3/c1-30-5-2-3-18(20(30)34)32-6-4-23(14-32,15-33)29-19-11-17(16-12-25-21(24)26-13-16)27-22(28-19)31-7-9-35-10-8-31/h11-13,18,33H,2-10,14-15H2,1H3,(H2,24,25,26)(H,27,28,29)/t18?,23-/m0/s1
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 0.445n/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))		BDBM340466
PNG
(US9758538, Example 156)
Show SMILES Nc1ncc(cn1)-c1nc(nc(N[C@@]2(CO)CCCN(C2)C(=O)C2CC2)c1F)N1CCOCC1
Show InChI InChI=1S/C22H29FN8O3/c23-16-17(15-10-25-20(24)26-11-15)27-21(30-6-8-34-9-7-30)28-18(16)29-22(13-32)4-1-5-31(12-22)19(33)14-2-3-14/h10-11,14,32H,1-9,12-13H2,(H2,24,25,26)(H,27,28,29)/t22-/m0/s1
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 0.454n/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))		BDBM340445
PNG
(US9758538, Example 135)
Show SMILES Nc1ncc(cn1)-c1nc(nc(N[C@@]2(CO)CCN(C2)C(=O)NCC(F)(F)F)c1F)N1CCOCC1
Show InChI InChI=1S/C20H25F4N9O3/c21-13-14(12-7-26-16(25)27-8-12)29-17(32-3-5-36-6-4-32)30-15(13)31-19(11-34)1-2-33(10-19)18(35)28-9-20(22,23)24/h7-8,34H,1-6,9-11H2,(H,28,35)(H2,25,26,27)(H,29,30,31)/t19-/m0/s1
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 0.463n/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))		BDBM340417
PNG
(US9758538, Example 105)
Show SMILES Nc1ncc(cn1)-c1cc(NC2(CF)CCN(C2)C(=O)OCc2ccccc2)nc(n1)N1CCOCC1
Show InChI InChI=1S/C25H29FN8O3/c26-16-25(6-7-34(17-25)24(35)37-15-18-4-2-1-3-5-18)32-21-12-20(19-13-28-22(27)29-14-19)30-23(31-21)33-8-10-36-11-9-33/h1-5,12-14H,6-11,15-17H2,(H2,27,28,29)(H,30,31,32)
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 0.489n/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))		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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 0.492n/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))		BDBM340365
PNG
(US9758538, Example 53)
Show SMILES C[C@H]1COCCN1c1nc(NC2(CO)CN(C2)C(C)=O)cc(n1)-c1cnc(N)nc1
Show InChI InChI=1S/C19H26N8O3/c1-12-8-30-4-3-27(12)18-23-15(14-6-21-17(20)22-7-14)5-16(24-18)25-19(11-28)9-26(10-19)13(2)29/h5-7,12,28H,3-4,8-11H2,1-2H3,(H2,20,21,22)(H,23,24,25)/t12-/m0/s1
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 0.541n/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))		BDBM340448
PNG
(US9758538, Example 138)
Show SMILES Cc1ncc(cn1)-c1cc(N[C@@]2(CO)CCN(C2)C(=O)OCC(F)F)nc(n1)N1CCOCC1
Show InChI InChI=1S/C21H27F2N7O4/c1-14-24-9-15(10-25-14)16-8-18(27-19(26-16)29-4-6-33-7-5-29)28-21(13-31)2-3-30(12-21)20(32)34-11-17(22)23/h8-10,17,31H,2-7,11-13H2,1H3,(H,26,27,28)/t21-/m0/s1
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 0.557n/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))		BDBM340333
PNG
(US9758538, Example 21)
Show SMILES C[C@H]1COCCN1c1nc(N[C@@]2(C)CCN(C2)C(C)=O)cc(n1)-c1cnc(N)nc1
Show InChI InChI=1S/C20H28N8O2/c1-13-11-30-7-6-28(13)19-24-16(15-9-22-18(21)23-10-15)8-17(25-19)26-20(3)4-5-27(12-20)14(2)29/h8-10,13H,4-7,11-12H2,1-3H3,(H2,21,22,23)(H,24,25,26)/t13-,20-/m0/s1
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 0.605n/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))		BDBM340453
PNG
(US9758538, Example 143)
Show SMILES CC(C)(C)OC(=O)N1CCC[C@@](CO)(C1)Nc1nc(nc(c1F)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C23H33FN8O4/c1-22(2,3)36-21(34)32-6-4-5-23(13-32,14-33)30-18-16(24)17(15-11-26-19(25)27-12-15)28-20(29-18)31-7-9-35-10-8-31/h11-12,33H,4-10,13-14H2,1-3H3,(H2,25,26,27)(H,28,29,30)/t23-/m0/s1
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 0.607n/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))		BDBM340363
PNG
(US9758538, Example 51)
Show SMILES CC(C)[C@H](N)C(=O)N1CC[C@@](CO)(C1)Nc1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1
Show InChI InChI=1S/C22H33N9O3/c1-14(2)18(23)19(33)31-4-3-22(12-31,13-32)29-17-9-16(15-10-25-20(24)26-11-15)27-21(28-17)30-5-7-34-8-6-30/h9-11,14,18,32H,3-8,12-13,23H2,1-2H3,(H2,24,25,26)(H,27,28,29)/t18-,22-/m0/s1
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 0.619n/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))		BDBM340468
PNG
(US9758538, Example 158)
Show SMILES Nc1ncc(cn1)-c1nc(nc(N[C@]2(CO)CCCN(C2)C(=O)C2(F)CC2)c1F)N1CCOCC1
Show InChI InChI=1S/C22H28F2N8O3/c23-15-16(14-10-26-19(25)27-11-14)28-20(31-6-8-35-9-7-31)29-17(15)30-21(13-33)2-1-5-32(12-21)18(34)22(24)3-4-22/h10-11,33H,1-9,12-13H2,(H2,25,26,27)(H,28,29,30)/t21-/m1/s1
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 0.627n/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))		BDBM340406
PNG
(US9758538, Example 94)
Show SMILES CC[C@]1(CCN(C1)C(=O)C1(F)CC1)Nc1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1
Show InChI InChI=1S/C22H29FN8O2/c1-2-21(5-6-31(14-21)18(32)22(23)3-4-22)29-17-11-16(15-12-25-19(24)26-13-15)27-20(28-17)30-7-9-33-10-8-30/h11-13H,2-10,14H2,1H3,(H2,24,25,26)(H,27,28,29)/t21-/m1/s1
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 0.631n/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))		BDBM340354
PNG
(US9758538, Example 42)
Show SMILES CC(=O)N1CC(CO)(C1)Nc1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1
Show InChI InChI=1S/C18H24N8O3/c1-12(28)26-9-18(10-26,11-27)24-15-6-14(13-7-20-16(19)21-8-13)22-17(23-15)25-2-4-29-5-3-25/h6-8,27H,2-5,9-11H2,1H3,(H2,19,20,21)(H,22,23,24)
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 0.651n/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))		BDBM340416
PNG
(US9758538, Example 104)
Show SMILES C[C@H]1COCCN1c1nc(N[C@@]2(CO)CCN(C2)C(=O)C2COC2)cc(n1)-c1cnc(N)nc1
Show InChI InChI=1S/C22H30N8O4/c1-14-9-33-5-4-30(14)21-26-17(15-7-24-20(23)25-8-15)6-18(27-21)28-22(13-31)2-3-29(12-22)19(32)16-10-34-11-16/h6-8,14,16,31H,2-5,9-13H2,1H3,(H2,23,24,25)(H,26,27,28)/t14-,22-/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))		BDBM340400
PNG
(US9758538, Example 88)
Show SMILES Nc1ncc(cn1)-c1cc(N[C@@]2(CO)CCN(C2)C2CCCNC2=O)nc(n1)N1CCOCC1
Show InChI InChI=1S/C22H31N9O3/c23-20-25-11-15(12-26-20)16-10-18(28-21(27-16)30-6-8-34-9-7-30)29-22(14-32)3-5-31(13-22)17-2-1-4-24-19(17)33/h10-12,17,32H,1-9,13-14H2,(H,24,33)(H2,23,25,26)(H,27,28,29)/t17?,22-/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))		BDBM340360
PNG
(US9758538, Example 48)
Show SMILES CC(C)(C)NC(=O)N1CC[C@@](CO)(C1)Nc1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1
Show InChI InChI=1S/C22H33N9O3/c1-21(2,3)29-20(33)31-5-4-22(13-31,14-32)28-17-10-16(15-11-24-18(23)25-12-15)26-19(27-17)30-6-8-34-9-7-30/h10-12,32H,4-9,13-14H2,1-3H3,(H,29,33)(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))		BDBM340349
PNG
(US9758538, Example 37)
Show SMILES CC[C@]1(CCN(C1)C(=O)OC(C)(C)C)Nc1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1
Show InChI InChI=1S/C23H34N8O3/c1-5-23(6-7-31(15-23)21(32)34-22(2,3)4)29-18-12-17(16-13-25-19(24)26-14-16)27-20(28-18)30-8-10-33-11-9-30/h12-14H,5-11,15H2,1-4H3,(H2,24,25,26)(H,27,28,29)/t23-/m1/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))		BDBM340446
PNG
(US9758538, Example 136)
Show SMILES Cc1ncc(cn1)-c1cc(N[C@@]2(CO)CCN(C2)C(=O)C2(F)CC2)nc(n1)N1CCOCC1
Show InChI InChI=1S/C22H28FN7O3/c1-15-24-11-16(12-25-15)17-10-18(27-20(26-17)29-6-8-33-9-7-29)28-21(14-31)4-5-30(13-21)19(32)22(23)2-3-22/h10-12,31H,2-9,13-14H2,1H3,(H,26,27,28)/t21-/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))		BDBM340385
PNG
(US9758538, Example 73)
Show SMILES Cn1ccnc1C(=O)N1CC[C@@](CO)(C1)Nc1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1
Show InChI InChI=1S/C22H28N10O3/c1-30-5-3-24-18(30)19(34)32-4-2-22(13-32,14-33)29-17-10-16(15-11-25-20(23)26-12-15)27-21(28-17)31-6-8-35-9-7-31/h3,5,10-12,33H,2,4,6-9,13-14H2,1H3,(H2,23,25,26)(H,27,28,29)/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))		BDBM340344
PNG
(US9758538, Example 32)
Show SMILES CC(=O)N1CC[C@@](CO)(C1)Nc1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1
Show InChI InChI=1S/C19H26N8O3/c1-13(29)27-3-2-19(11-27,12-28)25-16-8-15(14-9-21-17(20)22-10-14)23-18(24-16)26-4-6-30-7-5-26/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


(Homo sapiens (Human))		BDBM340444
PNG
(US9758538, Example 133)
Show SMILES Nc1ncc(cn1)-c1cc(N[C@@]2(CO)CCN(C2)C(=O)NCC(F)(F)F)nc(n1)N1CCOCC1
Show InChI InChI=1S/C20H26F3N9O3/c21-20(22,23)10-27-18(34)32-2-1-19(11-32,12-33)30-15-7-14(13-8-25-16(24)26-9-13)28-17(29-15)31-3-5-35-6-4-31/h7-9,33H,1-6,10-12H2,(H,27,34)(H2,24,25,26)(H,28,29,30)/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


(Homo sapiens (Human))		BDBM340460
PNG
(US9758538, Example 150)
Show SMILES COCC(=O)N1CCC[C@@](CO)(C1)Nc1nc(nc(c1F)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C21H29FN8O4/c1-33-11-15(32)30-4-2-3-21(12-30,13-31)28-18-16(22)17(14-9-24-19(23)25-10-14)26-20(27-18)29-5-7-34-8-6-29/h9-10,31H,2-8,11-13H2,1H3,(H2,23,24,25)(H,26,27,28)/t21-/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))		BDBM340441
PNG
(US9758538, Example 130)
Show SMILES CCOC(=O)N1CC[C@@](CO)(C1)Nc1cc(nc(n1)N1CCOCC1)-c1cnc(C)nc1
Show InChI InChI=1S/C21H29N7O4/c1-3-32-20(30)28-5-4-21(13-28,14-29)26-18-10-17(16-11-22-15(2)23-12-16)24-19(25-18)27-6-8-31-9-7-27/h10-12,29H,3-9,13-14H2,1-2H3,(H,24,25,26)/t21-/m0/s1
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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))		BDBM340463
PNG
(US9758538, Example 153)
Show SMILES CC(=O)N1CCC[C@@](CO)(C1)Nc1nc(nc(c1F)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C20H27FN8O3/c1-13(31)29-4-2-3-20(11-29,12-30)27-17-15(21)16(14-9-23-18(22)24-10-14)25-19(26-17)28-5-7-32-8-6-28/h9-10,30H,2-8,11-12H2,1H3,(H2,22,23,24)(H,25,26,27)/t20-/m0/s1
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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))		BDBM340328
PNG
(US9758538, Example 16)
Show SMILES C[C@H]1COCCN1c1nc(cc(n1)-c1cnc(N)nc1)N(C)[C@]1(C)CCN(C1)C(C)=O
Show InChI InChI=1S/C21H30N8O2/c1-14-12-31-8-7-29(14)20-25-17(16-10-23-19(22)24-11-16)9-18(26-20)27(4)21(3)5-6-28(13-21)15(2)30/h9-11,14H,5-8,12-13H2,1-4H3,(H2,22,23,24)/t14-,21+/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))		BDBM340318
PNG
(US9758538, Example 6)
Show SMILES COC(=O)N1CCC[C@](CO)(C1)Nc1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1
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-/m1/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))		BDBM340327
PNG
(US9758538, Example 15)
Show SMILES C[C@H]1COCCN1c1nc(N[C@]2(C)CCN(C2)C(=O)OC(C)(C)C)cc(n1)-c1cnc(N)nc1
Show InChI InChI=1S/C23H34N8O3/c1-15-13-33-9-8-31(15)20-27-17(16-11-25-19(24)26-12-16)10-18(28-20)29-23(5)6-7-30(14-23)21(32)34-22(2,3)4/h10-12,15H,6-9,13-14H2,1-5H3,(H2,24,25,26)(H,27,28,29)/t15-,23+/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))		BDBM340424
PNG
(US9758538, Example 112)
Show SMILES C[C@H]1COCCN1c1nc(N[C@@]2(CO)CCNC2)c(F)c(n1)-c1cnc(N)nc1
Show InChI InChI=1S/C18H25FN8O2/c1-11-8-29-5-4-27(11)17-24-14(12-6-22-16(20)23-7-12)13(19)15(25-17)26-18(10-28)2-3-21-9-18/h6-7,11,21,28H,2-5,8-10H2,1H3,(H2,20,22,23)(H,24,25,26)/t11-,18-/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))		BDBM340326
PNG
(US9758538, Example 14)
Show SMILES C[C@H]1COCCN1c1nc(cc(n1)-c1cnc(N)nc1)N(C)[C@]1(C)CCN(C1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C24H36N8O3/c1-16-14-34-10-9-32(16)21-28-18(17-12-26-20(25)27-13-17)11-19(29-21)30(6)24(5)7-8-31(15-24)22(33)35-23(2,3)4/h11-13,16H,7-10,14-15H2,1-6H3,(H2,25,26,27)/t16-,24+/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))		BDBM340324
PNG
(US9758538, Example 12)
Show SMILES C[C@]1(CCN(C1)S(C)(=O)=O)Nc1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1
Show InChI InChI=1S/C18H26N8O3S/c1-18(3-4-26(12-18)30(2,27)28)24-15-9-14(13-10-20-16(19)21-11-13)22-17(23-15)25-5-7-29-8-6-25/h9-11H,3-8,12H2,1-2H3,(H2,19,20,21)(H,22,23,24)/t18-/m1/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))		BDBM340412
PNG
(US9758538, Example 100)
Show SMILES CN(C)C(=O)CN1CC[C@@](CO)(C1)Nc1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1
Show InChI InChI=1S/C21H31N9O3/c1-28(2)18(32)12-29-4-3-21(13-29,14-31)27-17-9-16(15-10-23-19(22)24-11-15)25-20(26-17)30-5-7-33-8-6-30/h9-11,31H,3-8,12-14H2,1-2H3,(H2,22,23,24)(H,25,26,27)/t21-/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))		BDBM340379
PNG
(US9758538, Example 67)
Show SMILES Nc1ncc(cn1)-c1cc(N[C@@]2(CO)CCN(CC(F)F)C2)nc(n1)N1CCOCC1
Show InChI InChI=1S/C19H26F2N8O2/c20-15(21)10-28-2-1-19(11-28,12-30)27-16-7-14(13-8-23-17(22)24-9-13)25-18(26-16)29-3-5-31-6-4-29/h7-9,15,30H,1-6,10-12H2,(H2,22,23,24)(H,25,26,27)/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


(Homo sapiens (Human))		BDBM340335
PNG
(US9758538, Example 23)
Show SMILES CC(C)(C)OC(=O)N1CC[C@](CO)(C1)Nc1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1
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-/m1/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))		BDBM340322
PNG
((Scheme A): Preparation of tert-butyl (3S)-3-{[2&#...)
Show SMILES CC(O)[C@@]1(CCN(C1)C(=O)OC(C)(C)C)Nc1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1
Show InChI InChI=1S/C23H34N8O4/c1-15(32)23(5-6-31(14-23)21(33)35-22(2,3)4)29-18-11-17(16-12-25-19(24)26-13-16)27-20(28-18)30-7-9-34-10-8-30/h11-13,15,32H,5-10,14H2,1-4H3,(H2,24,25,26)(H,27,28,29)/t15?,23-/m0/s1
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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))		BDBM340462
PNG
(US9758538, Example 152)
Show SMILES CC(=O)N1CCC[C@](CO)(C1)Nc1nc(nc(c1F)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C20H27FN8O3/c1-13(31)29-4-2-3-20(11-29,12-30)27-17-15(21)16(14-9-23-18(22)24-10-14)25-19(26-17)28-5-7-32-8-6-28/h9-10,30H,2-8,11-12H2,1H3,(H2,22,23,24)(H,25,26,27)/t20-/m1/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))		BDBM340434
PNG
(US9758538, Example 123)
Show SMILES CC(C)(C)OC(=O)N1CCCC(CO)(C1)Nc1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1
Show InChI InChI=1S/C23H34N8O4/c1-22(2,3)35-21(33)31-6-4-5-23(14-31,15-32)29-18-11-17(16-12-25-19(24)26-13-16)27-20(28-18)30-7-9-34-10-8-30/h11-13,32H,4-10,14-15H2,1-3H3,(H2,24,25,26)(H,27,28,29)
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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))		BDBM340461
PNG
(US9758538, Example 151)
Show SMILES COCC(=O)N1CCC[C@](CO)(C1)Nc1nc(nc(c1F)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C21H29FN8O4/c1-33-11-15(32)30-4-2-3-21(12-30,13-31)28-18-16(22)17(14-9-24-19(23)25-10-14)26-20(27-18)29-5-7-34-8-6-29/h9-10,31H,2-8,11-13H2,1H3,(H2,23,24,25)(H,26,27,28)/t21-/m1/s1
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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))		BDBM340388
PNG
(US9758538, Example 76)
Show SMILES CN1CCC(N2CC[C@@](CO)(C2)Nc2cc(nc(n2)N2CCOCC2)-c2cnc(N)nc2)C1=O
Show InChI InChI=1S/C22H31N9O3/c1-29-4-2-17(19(29)33)31-5-3-22(13-31,14-32)28-18-10-16(15-11-24-20(23)25-12-15)26-21(27-18)30-6-8-34-9-7-30/h10-12,17,32H,2-9,13-14H2,1H3,(H2,23,24,25)(H,26,27,28)/t17?,22-/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))		BDBM340467
PNG
(US9758538, Example 157)
Show SMILES Nc1ncc(cn1)-c1nc(nc(N[C@]2(CO)CCCN(C2)C(=O)C2CC2)c1F)N1CCOCC1
Show InChI InChI=1S/C22H29FN8O3/c23-16-17(15-10-25-20(24)26-11-15)27-21(30-6-8-34-9-7-30)28-18(16)29-22(13-32)4-1-5-31(12-22)19(33)14-2-3-14/h10-11,14,32H,1-9,12-13H2,(H2,24,25,26)(H,27,28,29)/t22-/m1/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))		BDBM340457
PNG
(US9758538, Example 147)
Show SMILES CCC(=O)N1CCC[C@](CO)(C1)Nc1nc(nc(c1F)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C21H29FN8O3/c1-2-15(32)30-5-3-4-21(12-30,13-31)28-18-16(22)17(14-10-24-19(23)25-11-14)26-20(27-18)29-6-8-33-9-7-29/h10-11,31H,2-9,12-13H2,1H3,(H2,23,24,25)(H,26,27,28)/t21-/m1/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))		BDBM340437
PNG
(US9758538, Example 126)
Show SMILES Cc1ncc(cn1)-c1cc(N[C@@]2(CO)CCN(C2)C(=O)OC(C)(C)C)nc(n1)N1CCOCC1
Show InChI InChI=1S/C23H33N7O4/c1-16-24-12-17(13-25-16)18-11-19(27-20(26-18)29-7-9-33-10-8-29)28-23(15-31)5-6-30(14-23)21(32)34-22(2,3)4/h11-13,31H,5-10,14-15H2,1-4H3,(H,26,27,28)/t23-/m0/s1
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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))		BDBM340392
PNG
(US9758538, Example 80)
Show SMILES Nc1ncc(cn1)-c1cc(N[C@@]2(CO)CCN(C2)C2CCNC2=O)nc(n1)N1CCOCC1
Show InChI InChI=1S/C21H29N9O3/c22-19-24-10-14(11-25-19)15-9-17(27-20(26-15)29-5-7-33-8-6-29)28-21(13-31)2-4-30(12-21)16-1-3-23-18(16)32/h9-11,16,31H,1-8,12-13H2,(H,23,32)(H2,22,24,25)(H,26,27,28)/t16?,21-/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))		BDBM340355
PNG
(US9758538, Example 43)
Show SMILES Nc1ncc(cn1)-c1cc(NC2(CO)CNC2)nc(n1)N1CCOCC1
Show InChI InChI=1S/C16H22N8O2/c17-14-19-6-11(7-20-14)12-5-13(23-16(10-25)8-18-9-16)22-15(21-12)24-1-3-26-4-2-24/h5-7,18,25H,1-4,8-10H2,(H2,17,19,20)(H,21,22,23)
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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))		BDBM340343
PNG
(US9758538, Example 31)
Show SMILES CC(=O)N1CC[C@](CO)(C1)Nc1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1
Show InChI InChI=1S/C19H26N8O3/c1-13(29)27-3-2-19(11-27,12-28)25-16-8-15(14-9-21-17(20)22-10-14)23-18(24-16)26-4-6-30-7-5-26/h8-10,28H,2-7,11-12H2,1H3,(H2,20,21,22)(H,23,24,25)/t19-/m1/s1
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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))		BDBM340329
PNG
(US9758538, Example 17)
Show SMILES C[C@H]1COCCN1c1nc(N[C@]2(C)CCN(C2)C(C)=O)cc(n1)-c1cnc(N)nc1
Show InChI InChI=1S/C20H28N8O2/c1-13-11-30-7-6-28(13)19-24-16(15-9-22-18(21)23-10-15)8-17(25-19)26-20(3)4-5-27(12-20)14(2)29/h8-10,13H,4-7,11-12H2,1-3H3,(H2,21,22,23)(H,24,25,26)/t13-,20+/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))		BDBM340342
PNG
(US9758538, Example 30)
Show SMILES Nc1ncc(cn1)-c1cc(NC2(CO)CCNC2)nc(n1)N1CCOCC1
Show InChI InChI=1S/C17H24N8O2/c18-15-20-8-12(9-21-15)13-7-14(24-17(11-26)1-2-19-10-17)23-16(22-13)25-3-5-27-6-4-25/h7-9,19,26H,1-6,10-11H2,(H2,18,20,21)(H,22,23,24)
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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))		BDBM340455
PNG
(US9758538, Example 145)
Show SMILES Nc1ncc(cn1)-c1nc(nc(N[C@@]2(CO)CCCNC2)c1F)N1CCOCC1
Show InChI InChI=1S/C18H25FN8O2/c19-13-14(12-8-22-16(20)23-9-12)24-17(27-4-6-29-7-5-27)25-15(13)26-18(11-28)2-1-3-21-10-18/h8-9,21,28H,1-7,10-11H2,(H2,20,22,23)(H,24,25,26)/t18-/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))		BDBM340315
PNG
((Scheme A): Preparation of 2,2-difluoroethyl (3S)-...)
Show SMILES Nc1ncc(cn1)-c1nc(nc(N[C@@]2(COP(O)(O)=O)CCN(C2)C(=O)OCC(F)F)c1F)N1CCOCC1
Show InChI InChI=1S/C20H26F3N8O7P/c21-13(22)9-37-19(32)31-2-1-20(10-31,11-38-39(33,34)35)29-16-14(23)15(12-7-25-17(24)26-8-12)27-18(28-16)30-3-5-36-6-4-30/h7-8,13H,1-6,9-11H2,(H2,24,25,26)(H,27,28,29)(H2,33,34,35)/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))		BDBM340366
PNG
(US9758538, Example 54)
Show SMILES C[C@H]1COCCN1c1nc(NC2(CO)CNC2)cc(n1)-c1cnc(N)nc1
Show InChI InChI=1S/C17H24N8O2/c1-11-7-27-3-2-25(11)16-22-13(12-5-20-15(18)21-6-12)4-14(23-16)24-17(10-26)8-19-9-17/h4-6,11,19,26H,2-3,7-10H2,1H3,(H2,18,20,21)(H,22,23,24)/t11-/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))		BDBM340458
PNG
(US9758538, Example 148)
Show SMILES Nc1ncc(cn1)-c1nc(nc(N[C@]2(CO)CCCN(C2)C(=O)OCC(F)F)c1F)N1CCOCC1
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-/m1/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))		BDBM340465
PNG
(US9758538, Example 155)
Show SMILES COC(=O)N1CCC[C@](CO)(C1)Nc1nc(nc(c1F)-c1cnc(N)nc1)N1CCOCC1
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-/m1/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))		BDBM340425
PNG
(US9758538, Example 113)
Show SMILES CCOC(=O)N1CC[C@@](COC(C)=O)(C1)Nc1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1
Show InChI InChI=1S/C22H30N8O5/c1-3-34-21(32)30-5-4-22(13-30,14-35-15(2)31)28-18-10-17(16-11-24-19(23)25-12-16)26-20(27-18)29-6-8-33-9-7-29/h10-12H,3-9,13-14H2,1-2H3,(H2,23,24,25)(H,26,27,28)/t22-/m0/s1
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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))		BDBM340341
PNG
(US9758538, Example 29)
Show SMILES Nc1ncc(cn1)-c1cc(N[C@@]2(CO)CCNC2)nc(n1)N1CCOCC1
Show InChI InChI=1S/C17H24N8O2/c18-15-20-8-12(9-21-15)13-7-14(24-17(11-26)1-2-19-10-17)23-16(22-13)25-3-5-27-6-4-25/h7-9,19,26H,1-6,10-11H2,(H2,18,20,21)(H,22,23,24)/t17-/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))		BDBM340452
PNG
(US9758538, Example 142)
Show SMILES CC(C)(C)OC(=O)N1CCC[C@](CO)(C1)Nc1nc(nc(c1F)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C23H33FN8O4/c1-22(2,3)36-21(34)32-6-4-5-23(13-32,14-33)30-18-16(24)17(15-11-26-19(25)27-12-15)28-20(29-18)31-7-9-35-10-8-31/h11-12,33H,4-10,13-14H2,1-3H3,(H2,25,26,27)(H,28,29,30)/t23-/m1/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))		BDBM340440
PNG
(US9758538, Example 129)
Show SMILES CCOC(=O)N1CC[C@@](CO)(C1)Nc1cc(nc(n1)N1CCOCC1)-c1cnc(C)c(F)c1
Show InChI InChI=1S/C22H29FN6O4/c1-3-33-21(31)29-5-4-22(13-29,14-30)27-19-11-18(16-10-17(23)15(2)24-12-16)25-20(26-19)28-6-8-32-9-7-28/h10-12,30H,3-9,13-14H2,1-2H3,(H,25,26,27)/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))		BDBM340383
PNG
(US9758538, Example 71)
Show SMILES Nc1ncc(cn1)-c1cc(N[C@@]2(CO)CCN(CC3CC3)C2)nc(n1)N1CCOCC1
Show InChI InChI=1S/C21H30N8O2/c22-19-23-10-16(11-24-19)17-9-18(26-20(25-17)29-5-7-31-8-6-29)27-21(14-30)3-4-28(13-21)12-15-1-2-15/h9-11,15,30H,1-8,12-14H2,(H2,22,23,24)(H,25,26,27)/t21-/m0/s1
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 9.47n/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))		BDBM340372
PNG
(US9758538, Example 60)
Show SMILES Nc1ncc(cn1)-c1cc(N[C@@]2(CO)CCN(C2)C(=O)[C@@H](O)c2ccccc2)nc(n1)N1CCOCC1
Show InChI InChI=1S/C25H30N8O4/c26-23-27-13-18(14-28-23)19-12-20(30-24(29-19)32-8-10-37-11-9-32)31-25(16-34)6-7-33(15-25)22(36)21(35)17-4-2-1-3-5-17/h1-5,12-14,21,34-35H,6-11,15-16H2,(H2,26,27,28)(H,29,30,31)/t21-,25-/m0/s1
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 12.7n/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))		BDBM340454
PNG
(US9758538, Example 144)
Show SMILES Nc1ncc(cn1)-c1nc(nc(N[C@]2(CO)CCCNC2)c1F)N1CCOCC1
Show InChI InChI=1S/C18H25FN8O2/c19-13-14(12-8-22-16(20)23-9-12)24-17(27-4-6-29-7-5-27)25-15(13)26-18(11-28)2-1-3-21-10-18/h8-9,21,28H,1-7,10-11H2,(H2,20,22,23)(H,24,25,26)/t18-/m1/s1
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 13.9n/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))		BDBM340438
PNG
(US9758538, Example 127)
Show SMILES Cc1ncc(cc1F)-c1cc(N[C@@]2(CO)CCN(C2)C(=O)OC(C)(C)C)nc(n1)N1CCOCC1
Show InChI InChI=1S/C24H33FN6O4/c1-16-18(25)11-17(13-26-16)19-12-20(28-21(27-19)30-7-9-34-10-8-30)29-24(15-32)5-6-31(14-24)22(33)35-23(2,3)4/h11-13,32H,5-10,14-15H2,1-4H3,(H,27,28,29)/t24-/m0/s1
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 19n/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))		BDBM340433
PNG
(US9758538, Example 122)
Show SMILES COC[C@@]1(CCNC1)Nc1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1
Show InChI InChI=1S/C18H26N8O2/c1-27-12-18(2-3-20-11-18)25-15-8-14(13-9-21-16(19)22-10-13)23-17(24-15)26-4-6-28-7-5-26/h8-10,20H,2-7,11-12H2,1H3,(H2,19,21,22)(H,23,24,25)/t18-/m0/s1
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 21.5n/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))		BDBM340447
PNG
(US9758538, Example 137)
Show SMILES Nc1ncc(cn1)-c1nc(nc(NC2(CO)CCNC2)c1F)N1CCOCC1
Show InChI InChI=1S/C17H23FN8O2/c18-12-13(11-7-21-15(19)22-8-11)23-16(26-3-5-28-6-4-26)24-14(12)25-17(10-27)1-2-20-9-17/h7-8,20,27H,1-6,9-10H2,(H2,19,21,22)(H,23,24,25)
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 48.7n/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))		BDBM340439
PNG
(US9758538, Example 128)
Show SMILES CCOC(=O)N1CC[C@@](CO)(C1)Nc1cc(nc(n1)N1CCOCC1)-c1cnc(C)c(c1)C#N
Show InChI InChI=1S/C23H29N7O4/c1-3-34-22(32)30-5-4-23(14-30,15-31)28-20-11-19(18-10-17(12-24)16(2)25-13-18)26-21(27-20)29-6-8-33-9-7-29/h10-11,13,31H,3-9,14-15H2,1-2H3,(H,26,27,28)/t23-/m0/s1
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 110n/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))		BDBM340436
PNG
(US9758538, Example 125)
Show SMILES Cc1ncc(cc1C#N)-c1cc(N[C@@]2(CO)CCN(C2)C(=O)OC(C)(C)C)nc(n1)N1CCOCC1
Show InChI InChI=1S/C25H33N7O4/c1-17-18(13-26)11-19(14-27-17)20-12-21(29-22(28-20)31-7-9-35-10-8-31)30-25(16-33)5-6-32(15-25)23(34)36-24(2,3)4/h11-12,14,33H,5-10,15-16H2,1-4H3,(H,28,29,30)/t25-/m0/s1
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 118n/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
* indicates data uncertainty>20%