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Compile Data Set for Download or QSAR

Found 10464 hits Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform'   
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))
BDBM50149477
PNG
(CHEMBL3770993 | US8242104, Compound 375)
Show SMILES CC(C)n1ncnc1-c1cn2CCOc3cc(ccc3-c2n1)N1CCC[C@H]1C(N)=O
Show InChI InChI=1/C21H25N7O2/c1-13(2)28-21(23-12-24-28)16-11-26-8-9-30-18-10-14(5-6-15(18)20(26)25-16)27-7-3-4-17(27)19(22)29/h5-6,10-13,17H,3-4,7-9H2,1-2H3,(H2,22,29)/t17-/s2
PDB

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Similars

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



Genentech Inc

US Patent


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


US Patent US10112932 (2018)


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


(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=1/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-/s2
PDB

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US Patent
<0.0180n/an/an/an/an/an/an/an/a



Pfizer Inc

US Patent


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


US Patent US9758538 (2017)


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


(Homo sapiens (Human))
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=1/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-/s2
PDB

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US Patent
<0.0180n/an/an/an/an/an/an/an/a



Pfizer Inc

US Patent


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


US Patent US9758538 (2017)


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


(Homo sapiens (Human))
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=1/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-/s2
PDB

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US Patent
<0.0180n/an/an/an/an/an/an/an/a



Pfizer Inc

US Patent


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


US Patent US9758538 (2017)


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


(Homo sapiens (Human))
BDBM340358
PNG
(US9758538, Example 46)
Show SMILES Nc1ncc(cn1)-c1cc(N[C@@]2(CO)CCN(C2)C(=O)[C@@H]2CC2(F)F)nc(n1)N1CCOCC1
Show InChI InChI=1/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-/s2
PDB

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<0.0180n/an/an/an/an/an/an/an/a



Pfizer Inc

US Patent


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


US Patent US9758538 (2017)


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


(Homo sapiens (Human))
BDBM340368
PNG
(US9758538, Example 56)
Show SMILES Nc1ncc(cn1)-c1cc(N[C@@]2(CO)CCN(C2)C(=O)C2(F)CC2)nc(n1)N1CCOCC1
Show InChI InChI=1/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-/s2
PDB

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<0.0180n/an/an/an/an/an/an/an/a



Pfizer Inc

US Patent


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


US Patent US9758538 (2017)


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


(Homo sapiens (Human))
BDBM340376
PNG
(US9758538, Example 64)
Show SMILES CCOC(=O)N1CC[C@@](CO)(C1)Nc1cc(nc(n1)N1CCOC[C@@H]1C)-c1cnc(N)nc1
Show InChI InChI=1/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-/s2
PDB

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<0.0180n/an/an/an/an/an/an/an/a



Pfizer Inc

US Patent


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


US Patent US9758538 (2017)


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


(Homo sapiens (Human))
BDBM340389
PNG
(US9758538, Example 77)
Show SMILES CCCOC(=O)N1CC[C@@](CO)(C1)Nc1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1
Show InChI InChI=1/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-/s2
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<0.0180n/an/an/an/an/an/an/an/a



Pfizer Inc

US Patent


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


US Patent US9758538 (2017)


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


(Homo sapiens (Human))
BDBM340401
PNG
(US9758538, Example 89)
Show SMILES Nc1ncc(cn1)-c1cc(N[C@@]2(CO)CCN(C2)C(=O)N2CCC2)nc(n1)N1CCOCC1
Show InChI InChI=1/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-/s2
PDB

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<0.0180n/an/an/an/an/an/an/an/a



Pfizer Inc

US Patent


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


US Patent US9758538 (2017)


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


(Homo sapiens (Human))
BDBM340402
PNG
(US9758538, Example 90)
Show SMILES Nc1ncc(cn1)-c1cc(N[C@@]2(CO)CCN(C2)C(=O)c2cn[nH]c2)nc(n1)N1CCOCC1
Show InChI InChI=1/C21H26N10O3/c22-19-23-8-14(9-24-19)16-7-17(28-20(27-16)30-3-5-34-6-4-30)29-21(13-32)1-2-31(12-21)18(33)15-10-25-26-11-15/h7-11,32H,1-6,12-13H2,(H,25,26)(H2,22,23,24)(H,27,28,29)/t21-/s2
PDB

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<0.0180n/an/an/an/an/an/an/an/a



Pfizer Inc

US Patent


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


US Patent US9758538 (2017)


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


(Homo sapiens (Human))
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=1/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-/s2
PDB

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<0.0180n/an/an/an/an/an/an/an/a



Pfizer Inc

US Patent


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


US Patent US9758538 (2017)


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


(Homo sapiens (Human))
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=1/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-/s2
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<0.0180n/an/an/an/an/an/an/an/a



Pfizer Inc

US Patent


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


US Patent US9758538 (2017)


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


(Homo sapiens (Human))
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=1/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-/s2
PDB

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<0.0180n/an/an/an/an/an/an/an/a



Pfizer Inc

US Patent


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


US Patent US9758538 (2017)


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


(Homo sapiens (Human))
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=1/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-/s2
PDB

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<0.0180n/an/an/an/an/an/an/an/a



Pfizer Inc

US Patent


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


US Patent US9758538 (2017)


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


(Homo sapiens (Human))
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=1/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-/s2
PDB

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<0.0180n/an/an/an/an/an/an/an/a



Pfizer Inc

US Patent


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


US Patent US9758538 (2017)


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


(Homo sapiens (Human))
BDBM340384
PNG
(US9758538, Example 72)
Show SMILES COC(=O)N1CC[C@@](CO)(C1)Nc1nc(nc(c1F)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1/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-/s2
PDB

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<0.0180n/an/an/an/an/an/an/an/a



Pfizer Inc

US Patent


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


US Patent US9758538 (2017)


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


(Homo sapiens (Human))
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=1/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-/s2
PDB

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<0.0180n/an/an/an/an/an/an/an/a



Pfizer Inc

US Patent


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


US Patent US9758538 (2017)


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


(Homo sapiens (Human))
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=1/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-/s2
PDB

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US Patent
<0.0180n/an/an/an/an/an/an/an/a



Pfizer Inc

US Patent


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


US Patent US9758538 (2017)


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


(Homo sapiens (Human))
BDBM340430
PNG
(US9758538, Example 119)
Show SMILES C[C@H]1COCCN1c1nc(N[C@@]2(CO)CCN(C2)C(=O)OCC(F)F)c(F)c(n1)-c1cnc(N)nc1
Show InChI InChI=1/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-/s2
PDB

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<0.0180n/an/an/an/an/an/an/an/a



Pfizer Inc

US Patent


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


US Patent US9758538 (2017)


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


(Homo sapiens (Human))
BDBM340431
PNG
(US9758538, Example 120)
Show SMILES C[C@H]1COCCN1c1nc(N[C@@]2(CO)CCN(C2)C(=O)C2CC2)c(F)c(n1)-c1cnc(N)nc1
Show InChI InChI=1/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-/s2
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<0.0180n/an/an/an/an/an/an/an/a



Pfizer Inc

US Patent


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


US Patent US9758538 (2017)


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


(Homo sapiens (Human))
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=1/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-/s2
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<0.0180n/an/an/an/an/an/an/an/a



Pfizer Inc

US Patent


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


US Patent US9758538 (2017)


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


(Homo sapiens (Human))
BDBM340317
PNG
(US9758538, Example 5)
Show SMILES COC(=O)N1CCC[C@@](CO)(C1)Nc1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1
Show InChI InChI=1/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-/s2
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<0.0180n/an/an/an/an/an/an/an/a



Pfizer Inc

US Patent


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


US Patent US9758538 (2017)


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


(Homo sapiens (Human))
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=1/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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<0.0180n/an/an/an/an/an/an/an/a



Pfizer Inc

US Patent


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


US Patent US9758538 (2017)


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


(Homo sapiens (Human))
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=1/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-/s2
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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=1/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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<0.0180n/an/an/an/an/an/an/an/a



Pfizer Inc

US Patent


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


US Patent US9758538 (2017)


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


(Homo sapiens (Human))
BDBM340449
PNG
(US9758538, Example 139)
Show SMILES Nc1ncc(cn1)-c1nc(nc(N[C@@]2(CO)CCN(C2)C(=O)OCCF)c1F)N1CCOCC1
Show InChI InChI=1/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-/s2
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<0.0180n/an/an/an/an/an/an/an/a



Pfizer Inc

US Patent


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


US Patent US9758538 (2017)


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


(Homo sapiens (Human))
BDBM340450
PNG
(US9758538, Example 140)
Show SMILES Nc1ncc(cn1)-c1nc(nc(N[C@@]2(CO)CCN(C2)C(=O)OCC(F)(F)F)c1F)N1CCOCC1
Show InChI InChI=1/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-/s2
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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=1/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-/s2
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<0.0180n/an/an/an/an/an/an/an/a



Pfizer Inc

US Patent


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


US Patent US9758538 (2017)


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


(Homo sapiens (Human))
BDBM340464
PNG
(US9758538, Example 154)
Show SMILES COC(=O)N1CCC[C@@](CO)(C1)Nc1nc(nc(c1F)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1/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-/s2
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<0.0180n/an/an/an/an/an/an/an/a



Pfizer Inc

US Patent


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


US Patent US9758538 (2017)


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


(Homo sapiens (Human))
BDBM340377
PNG
(US9758538, Example 65)
Show SMILES COC(=O)N1CC[C@@](CO)(C1)Nc1cc(nc(n1)N1CCOC[C@@H]1C)-c1cnc(N)nc1
Show InChI InChI=1/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-/s2
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Pfizer Inc

US Patent


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


US Patent US9758538 (2017)


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


(Homo sapiens (Human))
BDBM340346
PNG
(US9758538, Example 34)
Show SMILES COC(=O)N1CC[C@@](CO)(C1)Nc1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1
Show InChI InChI=1/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-/s2
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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
PI3-kinase class I


(Homo sapiens (Human))
BDBM272984
PNG
((S)-2-((1-(2-amino-7- fluorobenzo[d]oxazol- 5-yl)-...)
Show SMILES NC(=O)[C@@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1cc(F)c2oc(N)nc2c1)C1CC1
Show InChI InChI=1/C23H22FN5O4/c24-14-7-12(8-16-20(14)33-23(26)28-16)22-27-15-9-13(32-19(21(25)30)11-3-4-11)10-17-18(15)29(22)5-1-2-6-31-17/h7-11,19H,1-6H2,(H2,25,30)(H2,26,28)/t19-/s2
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<0.0200n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10435414 (2019)

More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (Human))
BDBM272989
PNG
((2R,3S)-1-(1-(2- aminobenzo[d]oxazol- 5-yl)-7,8,9,...)
Show SMILES NC(=O)[C@@H]1[C@@H](F)CCN1c1cc2OCCCCn3c(nc(c1)c23)-c1ccc2oc(N)nc2c1
Show InChI InChI=1/C23H23FN6O3/c24-14-5-7-29(19(14)21(25)31)13-10-16-20-18(11-13)32-8-2-1-6-30(20)22(27-16)12-3-4-17-15(9-12)28-23(26)33-17/h3-4,9-11,14,19H,1-2,5-8H2,(H2,25,31)(H2,26,28)/t14-,19-/s2
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<0.0200n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10435414 (2019)

More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (Human))
BDBM272991
PNG
((S)-2-((1-(5-(1H-1,2,4- triazol-5-yl)pyridin-2- yl...)
Show SMILES C[C@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1ccc(cn1)-c1ncn[nH]1)C(N)=O
Show InChI InChI=1/C21H21N7O3/c1-12(19(22)29)31-14-8-16-18-17(9-14)30-7-3-2-6-28(18)21(26-16)15-5-4-13(10-23-15)20-24-11-25-27-20/h4-5,8-12H,2-3,6-7H2,1H3,(H2,22,29)(H,24,25,27)/t12-/s2
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<0.0200n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10435414 (2019)

More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (Human))
BDBM273000
PNG
((S)-2-cyclopropyl-2- ((1-(3-fluoro-4-(1H- 1,2,4-tr...)
Show SMILES NC(=O)[C@@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1ccc(-c2ncn[nH]2)c(F)c1)C1CC1
Show InChI InChI=1/C24H23FN6O3/c25-17-9-14(5-6-16(17)23-27-12-28-30-23)24-29-18-10-15(34-21(22(26)32)13-3-4-13)11-19-20(18)31(24)7-1-2-8-33-19/h5-6,9-13,21H,1-4,7-8H2,(H2,26,32)(H,27,28,30)/t21-/s2
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<0.0200n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10435414 (2019)

More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (Human))
BDBM273002
PNG
((S)-2-((1-(5-fluoro-6- (1H-1,2,4-triazol-5- yl)pyr...)
Show SMILES C[C@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1cnc(-c2ncn[nH]2)c(F)c1)C(N)=O
Show InChI InChI=1/C21H20FN7O3/c1-11(19(23)30)32-13-7-15-18-16(8-13)31-5-3-2-4-29(18)21(27-15)12-6-14(22)17(24-9-12)20-25-10-26-28-20/h6-11H,2-5H2,1H3,(H2,23,30)(H,25,26,28)/t11-/s2
PDB

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<0.0200n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10435414 (2019)

More data for this
Ligand-Target Pair
PI3-kinase class I


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

US Patent


Assay Description
TBD


US Patent US10435414 (2019)

More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (Human))
BDBM272903
PNG
((S)-2-((2-(2- aminobenzo[d]oxazol- 5-yl)-3,4-dihyd...)
Show SMILES NC(=O)[C@@H](Nc1cc2OCCn3c(nc(c1)c23)-c1ccc2oc(N)nc2c1)C1CC1
Show InChI InChI=1/C21H20N6O3/c22-19(28)17(10-1-2-10)24-12-8-14-18-16(9-12)29-6-5-27(18)20(25-14)11-3-4-15-13(7-11)26-21(23)30-15/h3-4,7-10,17,24H,1-2,5-6H2,(H2,22,28)(H2,23,26)/t17-/s2
PDB

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<0.0200n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10435414 (2019)

More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (Human))
BDBM272865
PNG
((S)-2-((1-(2- aminobenzo[d]thiazol- 6-yl)-8,9-dihy...)
Show SMILES NC(=O)[C@@H](Nc1cc2OCCCn3c(nc(c1)c23)-c1ccc2nc(N)sc2c1)C1CC1
Show InChI InChI=1/C22H22N6O2S/c23-20(29)18(11-2-3-11)25-13-9-15-19-16(10-13)30-7-1-6-28(19)21(26-15)12-4-5-14-17(8-12)31-22(24)27-14/h4-5,8-11,18,25H,1-3,6-7H2,(H2,23,29)(H2,24,27)/t18-/s2
PDB

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<0.0200n/an/an/an/an/an/an/an/a



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US Patent


Assay Description
TBD


US Patent US10435414 (2019)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM272899
PNG
((S)-2-((1-(2- aminobenzo[d]oxazol- 5-yl)-7,8,9,10-...)
Show SMILES C\C=C(\O[C@@H](C)C(N)=O)/C=c1/nc(-c2ccc3oc(N)nc3c2)n2CCCCO/C=c/1\2
Show InChI InChI=1/C22H25N5O4/c1-3-15(30-13(2)20(23)28)11-16-18-12-29-9-5-4-8-27(18)21(25-16)14-6-7-19-17(10-14)26-22(24)31-19/h3,6-7,10-13H,4-5,8-9H2,1-2H3,(H2,23,28)(H2,24,26)/b15-3+,16-11+,18-12-/t13-/s2
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Genentech Inc

US Patent


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


US Patent US10065970 (2018)


Article DOI: 10.1021/jm9802259
BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM272903
PNG
((S)-2-((2-(2- aminobenzo[d]oxazol- 5-yl)-3,4-dihyd...)
Show SMILES NC(=O)[C@@H](Nc1cc2OCCn3c(nc(c1)c23)-c1ccc2oc(N)nc2c1)C1CC1
Show InChI InChI=1/C21H20N6O3/c22-19(28)17(10-1-2-10)24-12-8-14-18-16(9-12)29-6-5-27(18)20(25-14)11-3-4-15-13(7-11)26-21(23)30-15/h3-4,7-10,17,24H,1-2,5-6H2,(H2,22,28)(H2,23,26)/t17-/s2
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Genentech Inc

US Patent


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


US Patent US10065970 (2018)


Article DOI: 10.1021/jm9802259
BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM272909
PNG
((S)-2-((1-(2- aminobenzo[d]thiazol- 6-yl)-7,8,9,10...)
Show SMILES NC(=O)[C@@H](Nc1cc2OCCCCn3c(nc(c1)c23)-c1ccc2nc(N)sc2c1)C1CC1
Show InChI InChI=1/C23H24N6O2S/c24-21(30)19(12-3-4-12)26-14-10-16-20-17(11-14)31-8-2-1-7-29(20)22(27-16)13-5-6-15-18(9-13)32-23(25)28-15/h5-6,9-12,19,26H,1-4,7-8H2,(H2,24,30)(H2,25,28)/t19-/s2
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Genentech Inc

US Patent


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


US Patent US10065970 (2018)


Article DOI: 10.1021/jm9802259
BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM295675
PNG
(US8242104, Compound 469)
Show SMILES NC(=O)[C@@H]1CCCN1c1ccc2-c3nc(cn3CCOc2c1)-c1ncnn1CC(F)(F)F
Show InChI InChI=1/C20H20F3N7O2/c21-20(22,23)10-30-19(25-11-26-30)14-9-28-6-7-32-16-8-12(3-4-13(16)18(28)27-14)29-5-1-2-15(29)17(24)31/h3-4,8-9,11,15H,1-2,5-7,10H2,(H2,24,31)/t15-/s2
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Genentech Inc

US Patent


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


US Patent US10112932 (2018)


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


(Homo sapiens (Human))
BDBM272936
PNG
((S)-2-((1-(2-amino-4- fluorobenzo[d]oxazol- 5-yl)-...)
Show SMILES C[C@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1ccc2oc(N)nc2c1F)C(N)=O
Show InChI InChI=1/C21H20FN5O4/c1-10(19(23)28)30-11-8-13-18-15(9-11)29-7-3-2-6-27(18)20(25-13)12-4-5-14-17(16(12)22)26-21(24)31-14/h4-5,8-10H,2-3,6-7H2,1H3,(H2,23,28)(H2,24,26)/t10-/s2
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Genentech Inc

US Patent


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


US Patent US10065970 (2018)


Article DOI: 10.1021/jm9802259
BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM272937
PNG
((S)-2-((1-(2-amino-4- fluorobenzo[d]thiazol- 6-yl)...)
Show SMILES C[C@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1cc(F)c2nc(N)sc2c1)C(N)=O
Show InChI InChI=1/C21H20FN5O3S/c1-10(19(23)28)30-12-8-14-18-15(9-12)29-5-3-2-4-27(18)20(25-14)11-6-13(22)17-16(7-11)31-21(24)26-17/h6-10H,2-5H2,1H3,(H2,23,28)(H2,24,26)/t10-/s2
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US Patent


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


US Patent US10065970 (2018)


Article DOI: 10.1021/jm9802259
BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM272938
PNG
((S)-2-((1-(4-(1H- 1,2,4-triazol-3- yl)phenyl)-7,8,...)
Show SMILES C[C@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1ccc(cc1)-c1nc[nH]n1)C(N)=O
Show InChI InChI=1/C22H22N6O3/c1-13(20(23)29)31-16-10-17-19-18(11-16)30-9-3-2-8-28(19)22(26-17)15-6-4-14(5-7-15)21-24-12-25-27-21/h4-7,10-13H,2-3,8-9H2,1H3,(H2,23,29)(H,24,25,27)/t13-/s2
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US Patent


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


US Patent US10065970 (2018)


Article DOI: 10.1021/jm9802259
BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM272939
PNG
((S)-2-((1-(2- aminoquinoxalin-6- yl)-7,8,9,10- tet...)
Show SMILES C[C@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1ccc2nc(N)cnc2c1)C(N)=O
Show InChI InChI=1/C22H22N6O3/c1-12(21(24)29)31-14-9-17-20-18(10-14)30-7-3-2-6-28(20)22(27-17)13-4-5-15-16(8-13)25-11-19(23)26-15/h4-5,8-12H,2-3,6-7H2,1H3,(H2,23,26)(H2,24,29)/t12-/s2
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US Patent


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


US Patent US10065970 (2018)


Article DOI: 10.1021/jm9802259
BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM272941
PNG
((S)-2-((1-(2- Aminobenzo[d]thiazol- 5-yl)-7,8,9,10...)
Show SMILES NC(=O)[C@@H](Nc1cc2OCCCCn3c(nc(c1)c23)-c1ccc2sc(N)nc2c1)C1CC1
Show InChI InChI=1/C23H24N6O2S/c24-21(30)19(12-3-4-12)26-14-10-16-20-17(11-14)31-8-2-1-7-29(20)22(27-16)13-5-6-18-15(9-13)28-23(25)32-18/h5-6,9-12,19,26H,1-4,7-8H2,(H2,24,30)(H2,25,28)/t19-/s2
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US Patent


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


US Patent US10065970 (2018)


Article DOI: 10.1021/jm9802259
BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM272944
PNG
((S)-2-((1-(2-amino-7- fluorobenzo[d]oxazol- 5-yl)-...)
Show SMILES C[C@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1cc(F)c2oc(N)nc2c1)C(N)=O
Show InChI InChI=1/C21H20FN5O4/c1-10(19(23)28)30-12-8-14-17-16(9-12)29-5-3-2-4-27(17)20(25-14)11-6-13(22)18-15(7-11)26-21(24)31-18/h6-10H,2-5H2,1H3,(H2,23,28)(H2,24,26)/t10-/s2
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US Patent


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


US Patent US10065970 (2018)


Article DOI: 10.1021/jm9802259
BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM272945
PNG
((S)-1-(1-(2- aminobenzo[d]oxazol- 5-yl)-7,8,9,10- ...)
Show SMILES NC(=O)[C@@H]1CCCN1c1cc2OCCCCn3c(nc(c1)c23)-c1ccc2oc(N)nc2c1
Show InChI InChI=1/C23H24N6O3/c24-21(30)17-4-3-8-28(17)14-11-16-20-19(12-14)31-9-2-1-7-29(20)22(26-16)13-5-6-18-15(10-13)27-23(25)32-18/h5-6,10-12,17H,1-4,7-9H2,(H2,24,30)(H2,25,27)/t17-/s2
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US Patent


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


US Patent US10065970 (2018)


Article DOI: 10.1021/jm9802259
BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
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