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Compile Data Set for Download or QSAR

Found 753 hits Enz. Inhib. hit(s) with Target = 'p110α/p85α'   
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
p110α/p85α


(Homo sapiens (Human))
BDBM207061
PNG
(US9260439, 38)
Show SMILES CNS(=O)(=O)N1CC[C@@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1/C19H27N9O3S/c1-21-32(29,30)27-4-2-14(12-27)28-5-3-15-16(13-10-22-18(20)23-11-13)24-19(25-17(15)28)26-6-8-31-9-7-26/h10-11,14,21H,2-9,12H2,1H3,(H2,20,22,23)/t14-/s2
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0.228n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...


Citation and Details
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM207095
PNG
(US9260439, 72)
Show SMILES Nc1ncc(cn1)-c1nc(nc2N(CCc12)C1CN(C1)S(N)(=O)=O)N1CCOCC1
Show InChI InChI=1S/C17H23N9O3S/c18-16-20-7-11(8-21-16)14-13-1-2-26(12-9-25(10-12)30(19,27)28)15(13)23-17(22-14)24-3-5-29-6-4-24/h7-8,12H,1-6,9-10H2,(H2,18,20,21)(H2,19,27,28)
PDB

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<0.229n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...


Citation and Details
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM207169
PNG
(US9260439, 146)
Show SMILES CC1(CCN(C1)S(C)(=O)=O)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1/C20H28N8O3S/c1-20(4-6-27(13-20)32(2,29)30)28-5-3-15-16(14-11-22-18(21)23-12-14)24-19(25-17(15)28)26-7-9-31-10-8-26/h11-12H,3-10,13H2,1-2H3,(H2,21,22,23)
PDB

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<0.229n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...


Citation and Details
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM207102
PNG
(US9260439, 79)
Show SMILES C[C@H]1COCCN1c1nc2N(CCc2c(n1)-c1cnc(N)nc1)[C@H]1CCN(C1)S(C)(=O)=O
Show InChI InChI=1/C20H28N8O3S/c1-13-12-31-8-7-27(13)20-24-17(14-9-22-19(21)23-10-14)16-4-6-28(18(16)25-20)15-3-5-26(11-15)32(2,29)30/h9-10,13,15H,3-8,11-12H2,1-2H3,(H2,21,22,23)/t13-,15-/s2
PDB

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<0.229n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...


Citation and Details
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM207088
PNG
(US9260439, 65)
Show SMILES Nc1ncc(cn1)-c1nc(nc2N(CCc12)[C@H]1C[C@H](F)C1)N1CCOCC1
Show InChI InChI=1/C18H22FN7O/c19-12-7-13(8-12)26-2-1-14-15(11-9-21-17(20)22-10-11)23-18(24-16(14)26)25-3-5-27-6-4-25/h9-10,12-13H,1-8H2,(H2,20,21,22)/t12-,13-
PDB

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<0.229n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...


Citation and Details
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM207082
PNG
(US9260439, 59)
Show SMILES Nc1ncc(cn1)-c1nc(nc2N(CCc12)[C@H]1C[C@@H](C1)C#N)N1CCOCC1
Show InChI InChI=1/C19H22N8O/c20-9-12-7-14(8-12)27-2-1-15-16(13-10-22-18(21)23-11-13)24-19(25-17(15)27)26-3-5-28-6-4-26/h10-12,14H,1-8H2,(H2,21,22,23)/t12-,14-
PDB

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<0.229n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...


Citation and Details
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM207054
PNG
(US9260439, 31)
Show SMILES CC(C)[C@@H](O)C(=O)N1CC[C@@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1/C23H32N8O3/c1-14(2)19(32)21(33)30-5-3-16(13-30)31-6-4-17-18(15-11-25-22(24)26-12-15)27-23(28-20(17)31)29-7-9-34-10-8-29/h11-12,14,16,19,32H,3-10,13H2,1-2H3,(H2,24,25,26)/t16-,19+/s2
PDB

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<0.229n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...


Citation and Details
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM207048
PNG
(US9260439, 25)
Show SMILES Nc1ncc(cn1)-c1nc(nc2N(CCc12)[C@H]1CCN(C1)C(=O)CO)N1CCOCC1
Show InChI InChI=1/C20H26N8O3/c21-19-22-9-13(10-23-19)17-15-2-4-28(14-1-3-27(11-14)16(30)12-29)18(15)25-20(24-17)26-5-7-31-8-6-26/h9-10,14,29H,1-8,11-12H2,(H2,21,22,23)/t14-/s2
PDB

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<0.229n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...


Citation and Details
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM207045
PNG
(US9260439, 22)
Show SMILES CN([C@H]1C[C@@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1)S(C)(=O)=O
Show InChI InChI=1/C20H28N8O3S/c1-26(32(2,29)30)14-9-15(10-14)28-4-3-16-17(13-11-22-19(21)23-12-13)24-20(25-18(16)28)27-5-7-31-8-6-27/h11-12,14-15H,3-10H2,1-2H3,(H2,21,22,23)/t14-,15-
PDB

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<0.229n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...


Citation and Details
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM207043
PNG
(US9260439, 20)
Show SMILES CS(=O)(=O)N1CC[C@@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1/C19H26N8O3S/c1-31(28,29)26-4-2-14(12-26)27-5-3-15-16(13-10-21-18(20)22-11-13)23-19(24-17(15)27)25-6-8-30-9-7-25/h10-11,14H,2-9,12H2,1H3,(H2,20,21,22)/t14-/s2
PDB

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<0.229n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...


Citation and Details
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM207025
PNG
(US9260439, 1)
Show SMILES CC(C)S(=O)(=O)N1CC(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOC[C@@H]1C
Show InChI InChI=1/C21H30N8O3S/c1-13(2)33(30,31)27-10-16(11-27)29-5-4-17-18(15-8-23-20(22)24-9-15)25-21(26-19(17)29)28-6-7-32-12-14(28)3/h8-9,13-14,16H,4-7,10-12H2,1-3H3,(H2,22,23,24)/t14-/s2
PDB

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<0.229n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...


Citation and Details
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM207118
PNG
(US9260439, 95)
Show SMILES CNS(=O)(=O)O[C@H]1C[C@@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1/C19H26N8O4S/c1-21-32(28,29)31-14-8-13(9-14)27-3-2-15-16(12-10-22-18(20)23-11-12)24-19(25-17(15)27)26-4-6-30-7-5-26/h10-11,13-14,21H,2-9H2,1H3,(H2,20,22,23)/t13-,14-
PDB

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<0.229n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...


Citation and Details
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM207123
PNG
(US9260439, 100)
Show SMILES C[C@H]1COCCN1c1nc2N(CCc2c(n1)-c1cnc(N)nc1)[C@H]1CCN(C1)S(N)(=O)=O
Show InChI InChI=1/C19H27N9O3S/c1-12-11-31-7-6-27(12)19-24-16(13-8-22-18(20)23-9-13)15-3-5-28(17(15)25-19)14-2-4-26(10-14)32(21,29)30/h8-9,12,14H,2-7,10-11H2,1H3,(H2,20,22,23)(H2,21,29,30)/t12-,14-/s2
PDB

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<0.229n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...


Citation and Details
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM207124
PNG
(US9260439, 101)
Show SMILES CCS(=O)(=O)N1CC[C@@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1/C20H28N8O3S/c1-2-32(29,30)27-5-3-15(13-27)28-6-4-16-17(14-11-22-19(21)23-12-14)24-20(25-18(16)28)26-7-9-31-10-8-26/h11-12,15H,2-10,13H2,1H3,(H2,21,22,23)/t15-/s2
PDB

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<0.229n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...


Citation and Details
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM207125
PNG
(US9260439, 102)
Show SMILES Nc1ncc(cn1)-c1nc(nc2N(CCc12)[C@H]1CCN(C1)S(=O)(=O)C1CC1)N1CCOCC1
Show InChI InChI=1/C21H28N8O3S/c22-20-23-11-14(12-24-20)18-17-4-6-29(15-3-5-28(13-15)33(30,31)16-1-2-16)19(17)26-21(25-18)27-7-9-32-10-8-27/h11-12,15-16H,1-10,13H2,(H2,22,23,24)/t15-/s2
PDB

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antibodypedia
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PC cid
PC sid
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US Patent
<0.229n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...


Citation and Details
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM207127
PNG
(US9260439, 104)
Show SMILES CNS(=O)(=O)O[C@H]1C[C@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1/C19H26N8O4S/c1-21-32(28,29)31-14-8-13(9-14)27-3-2-15-16(12-10-22-18(20)23-11-12)24-19(25-17(15)27)26-4-6-30-7-5-26/h10-11,13-14,21H,2-9H2,1H3,(H2,20,22,23)/t13-,14+
PDB

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<0.229n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...


Citation and Details
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM207129
PNG
(US9260439, 106)
Show SMILES CC(C)S(=O)(=O)N1CC[C@@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1/C21H30N8O3S/c1-14(2)33(30,31)28-5-3-16(13-28)29-6-4-17-18(15-11-23-20(22)24-12-15)25-21(26-19(17)29)27-7-9-32-10-8-27/h11-12,14,16H,3-10,13H2,1-2H3,(H2,22,23,24)/t16-/s2
PDB

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<0.229n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...


Citation and Details
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM207131
PNG
(US9260439, 108)
Show SMILES CCS(=O)(=O)N1CC(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C19H26N8O3S/c1-2-31(28,29)26-11-14(12-26)27-4-3-15-16(13-9-21-18(20)22-10-13)23-19(24-17(15)27)25-5-7-30-8-6-25/h9-10,14H,2-8,11-12H2,1H3,(H2,20,21,22)
PDB

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<0.229n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...


Citation and Details
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM207132
PNG
(US9260439, 109)
Show SMILES Nc1ncc(cn1)-c1nc(nc2N(CCc12)C1CN(C1)S(=O)(=O)C1CC1)N1CCOCC1
Show InChI InChI=1S/C20H26N8O3S/c21-19-22-9-13(10-23-19)17-16-3-4-28(14-11-27(12-14)32(29,30)15-1-2-15)18(16)25-20(24-17)26-5-7-31-8-6-26/h9-10,14-15H,1-8,11-12H2,(H2,21,22,23)
PDB

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<0.229n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...


Citation and Details
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM207134
PNG
(US9260439, 111)
Show SMILES CC(C)S(=O)(=O)N1CC[C@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1/C21H30N8O3S/c1-14(2)33(30,31)28-5-3-16(13-28)29-6-4-17-18(15-11-23-20(22)24-12-15)25-21(26-19(17)29)27-7-9-32-10-8-27/h11-12,14,16H,3-10,13H2,1-2H3,(H2,22,23,24)/t16-/s2
PDB

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<0.229n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...


Citation and Details
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM207136
PNG
(US9260439, 113)
Show SMILES C[C@H]1COCCN1c1nc2N(CCc2c(n1)-c1cnc(N)nc1)C1CN(C1)S(C)(=O)=O
Show InChI InChI=1/C19H26N8O3S/c1-12-11-30-6-5-26(12)19-23-16(13-7-21-18(20)22-8-13)15-3-4-27(17(15)24-19)14-9-25(10-14)31(2,28)29/h7-8,12,14H,3-6,9-11H2,1-2H3,(H2,20,21,22)/t12-/s2
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<0.229n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...


Citation and Details
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM207138
PNG
(US9260439, 115)
Show SMILES CCS(=O)(=O)N1CC(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOC[C@@H]1C
Show InChI InChI=1/C20H28N8O3S/c1-3-32(29,30)26-10-15(11-26)28-5-4-16-17(14-8-22-19(21)23-9-14)24-20(25-18(16)28)27-6-7-31-12-13(27)2/h8-9,13,15H,3-7,10-12H2,1-2H3,(H2,21,22,23)/t13-/s2
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<0.229n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...


Citation and Details
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM207141
PNG
(US9260439, 118)
Show SMILES C[C@H]1COCCN1c1nc2N(CCc2c(n1)-c1cnc(N)nc1)C1CN(C1)S(=O)(=O)C1CC1
Show InChI InChI=1/C21H28N8O3S/c1-13-12-32-7-6-28(13)21-25-18(14-8-23-20(22)24-9-14)17-4-5-29(19(17)26-21)15-10-27(11-15)33(30,31)16-2-3-16/h8-9,13,15-16H,2-7,10-12H2,1H3,(H2,22,23,24)/t13-/s2
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<0.229n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...


Citation and Details
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM207142
PNG
(US9260439, 119)
Show SMILES CCS(=O)(=O)N1CC[C@@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOC[C@@H]1C
Show InChI InChI=1/C21H30N8O3S/c1-3-33(30,31)27-6-4-16(12-27)29-7-5-17-18(15-10-23-20(22)24-11-15)25-21(26-19(17)29)28-8-9-32-13-14(28)2/h10-11,14,16H,3-9,12-13H2,1-2H3,(H2,22,23,24)/t14-,16-/s2
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<0.229n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...


Citation and Details
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM207143
PNG
(US9260439, 120)
Show SMILES C[C@H]1COCCN1c1nc2N(CCc2c(n1)-c1cnc(N)nc1)C1CN(C1)S(=O)(=O)N(C)C
Show InChI InChI=1/C20H29N9O3S/c1-13-12-32-7-6-28(13)20-24-17(14-8-22-19(21)23-9-14)16-4-5-29(18(16)25-20)15-10-27(11-15)33(30,31)26(2)3/h8-9,13,15H,4-7,10-12H2,1-3H3,(H2,21,22,23)/t13-/s2
PDB

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<0.229n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...


Citation and Details
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM207144
PNG
(US9260439, 121)
Show SMILES C[C@H]1COCCN1c1nc2N(CCc2c(n1)-c1cnc(N)nc1)[C@H]1CCN(C1)S(=O)(=O)C1CC1
Show InChI InChI=1/C22H30N8O3S/c1-14-13-33-9-8-29(14)22-26-19(15-10-24-21(23)25-11-15)18-5-7-30(20(18)27-22)16-4-6-28(12-16)34(31,32)17-2-3-17/h10-11,14,16-17H,2-9,12-13H2,1H3,(H2,23,24,25)/t14-,16-/s2
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<0.229n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...


Citation and Details
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM207145
PNG
(US9260439, 122)
Show SMILES CNS(=O)(=O)N1CC(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOC[C@@H]1C
Show InChI InChI=1/C19H27N9O3S/c1-12-11-31-6-5-27(12)19-24-16(13-7-22-18(20)23-8-13)15-3-4-28(17(15)25-19)14-9-26(10-14)32(29,30)21-2/h7-8,12,14,21H,3-6,9-11H2,1-2H3,(H2,20,22,23)/t12-/s2
PDB

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<0.229n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...


Citation and Details
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM207146
PNG
(US9260439, 123)
Show SMILES COC(=O)N1CC[C@@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOC[C@@H]1C
Show InChI InChI=1/C21H28N8O3/c1-13-12-32-8-7-28(13)20-25-17(14-9-23-19(22)24-10-14)16-4-6-29(18(16)26-20)15-3-5-27(11-15)21(30)31-2/h9-10,13,15H,3-8,11-12H2,1-2H3,(H2,22,23,24)/t13-,15-/s2
PDB

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<0.229n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...


Citation and Details
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM207148
PNG
(US9260439, 125)
Show SMILES CCOC(=O)N1CC[C@@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOC[C@@H]1C
Show InChI InChI=1/C22H30N8O3/c1-3-33-22(31)28-6-4-16(12-28)30-7-5-17-18(15-10-24-20(23)25-11-15)26-21(27-19(17)30)29-8-9-32-13-14(29)2/h10-11,14,16H,3-9,12-13H2,1-2H3,(H2,23,24,25)/t14-,16-/s2
PDB

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<0.229n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...


Citation and Details
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM207149
PNG
(US9260439, 126)
Show SMILES C[C@H]1COCCN1c1nc2N(CCc2c(n1)-c1cnc(N)nc1)C1CN(C1)S(N)(=O)=O
Show InChI InChI=1/C18H25N9O3S/c1-11-10-30-5-4-26(11)18-23-15(12-6-21-17(19)22-7-12)14-2-3-27(16(14)24-18)13-8-25(9-13)31(20,28)29/h6-7,11,13H,2-5,8-10H2,1H3,(H2,19,21,22)(H2,20,28,29)/t11-/s2
PDB

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<0.229n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...


Citation and Details
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM207151
PNG
(US9260439, 128)
Show SMILES CNS(=O)(=O)N1C[C@@H](O)[C@@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOC[C@@H]1C
Show InChI InChI=1/C20H29N9O4S/c1-12-11-33-6-5-28(12)20-25-17(13-7-23-19(21)24-8-13)14-3-4-29(18(14)26-20)15-9-27(10-16(15)30)34(31,32)22-2/h7-8,12,15-16,22,30H,3-6,9-11H2,1-2H3,(H2,21,23,24)/t12-,15+,16+/s2
PDB

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<0.229n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...


Citation and Details
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM207154
PNG
(US9260439, 131)
Show SMILES CC(C)S(=O)(=O)N1CC[C@@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOC[C@@H]1C
Show InChI InChI=1/C22H32N8O3S/c1-14(2)34(31,32)28-6-4-17(12-28)30-7-5-18-19(16-10-24-21(23)25-11-16)26-22(27-20(18)30)29-8-9-33-13-15(29)3/h10-11,14-15,17H,4-9,12-13H2,1-3H3,(H2,23,24,25)/t15-,17-/s2
PDB

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<0.229n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...


Citation and Details
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM207155
PNG
(US9260439, 132)
Show SMILES CC(C)(C)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C18H25N7O/c1-18(2,3)25-5-4-13-14(12-10-20-16(19)21-11-12)22-17(23-15(13)25)24-6-8-26-9-7-24/h10-11H,4-9H2,1-3H3,(H2,19,20,21)
PDB

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<0.229n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...


Citation and Details
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM207159
PNG
(US9260439, 136)
Show SMILES C[C@H]1COCCN1c1nc2N(CCc2c(n1)-c1cnc(N)nc1)[C@@H]1CCN(C1)C(=O)OC1CN(C1)C(C)=O
Show InChI InChI=1/C25H33N9O4/c1-15-14-37-8-7-33(15)24-29-21(17-9-27-23(26)28-10-17)20-4-6-34(22(20)30-24)18-3-5-31(11-18)25(36)38-19-12-32(13-19)16(2)35/h9-10,15,18-19H,3-8,11-14H2,1-2H3,(H2,26,27,28)/t15-,18+/s2
PDB

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<0.229n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...


Citation and Details
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM207084
PNG
(US9260439, 61)
Show SMILES COC(=O)N1CC(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C19H24N8O3/c1-29-19(28)26-10-13(11-26)27-3-2-14-15(12-8-21-17(20)22-9-12)23-18(24-16(14)27)25-4-6-30-7-5-25/h8-9,13H,2-7,10-11H2,1H3,(H2,20,21,22)
PDB

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0.234n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...


Citation and Details
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM207105
PNG
(US9260439, 82)
Show SMILES CN(C)S(=O)(=O)N1CC[C@@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1/C20H29N9O3S/c1-26(2)33(30,31)28-5-3-15(13-28)29-6-4-16-17(14-11-22-19(21)23-12-14)24-20(25-18(16)29)27-7-9-32-10-8-27/h11-12,15H,3-10,13H2,1-2H3,(H2,21,22,23)/t15-/s2
PDB

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0.240n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...


Citation and Details
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM207140
PNG
(US9260439, 117)
Show SMILES CNS(=O)(=O)N1C[C@@H](OC)[C@@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOC[C@@H]1C
Show InChI InChI=1/C21H31N9O4S/c1-13-12-34-7-6-29(13)21-26-18(14-8-24-20(22)25-9-14)15-4-5-30(19(15)27-21)16-10-28(11-17(16)33-3)35(31,32)23-2/h8-9,13,16-17,23H,4-7,10-12H2,1-3H3,(H2,22,24,25)/t13-,16+,17+/s2
PDB

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0.256n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...


Citation and Details
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM207108
PNG
(US9260439, 85 | US9260439, 92)
Show SMILES CNS(=O)(=O)N1CC[C@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOC[C@@H]1C
Show InChI InChI=1/C20H29N9O3S/c1-13-12-32-8-7-28(13)20-25-17(14-9-23-19(21)24-10-14)16-4-6-29(18(16)26-20)15-3-5-27(11-15)33(30,31)22-2/h9-10,13,15,22H,3-8,11-12H2,1-2H3,(H2,21,23,24)/t13-,15+/s2
PDB

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0.283n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...


Citation and Details
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM207128
PNG
(US9260439, 105)
Show SMILES CS(=O)(=O)N[C@H]1C[C@@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1/C19H26N8O3S/c1-31(28,29)25-13-8-14(9-13)27-3-2-15-16(12-10-21-18(20)22-11-12)23-19(24-17(15)27)26-4-6-30-7-5-26/h10-11,13-14,25H,2-9H2,1H3,(H2,20,21,22)/t13-,14-
PDB

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0.285n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...


Citation and Details
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM207036
PNG
(US9260439, 13)
Show SMILES Nc1ncc(cn1)-c1nc(nc2N(CCc12)C1CC(F)(F)C1)N1CCOCC1
Show InChI InChI=1S/C18H21F2N7O/c19-18(20)7-12(8-18)27-2-1-13-14(11-9-22-16(21)23-10-11)24-17(25-15(13)27)26-3-5-28-6-4-26/h9-10,12H,1-8H2,(H2,21,22,23)
PDB

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0.307n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...


Citation and Details
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM207080
PNG
(US9260439, 57)
Show SMILES CNS(=O)(=O)N(C)[C@H]1C[C@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1/C20H29N9O3S/c1-22-33(30,31)27(2)14-9-15(10-14)29-4-3-16-17(13-11-23-19(21)24-12-13)25-20(26-18(16)29)28-5-7-32-8-6-28/h11-12,14-15,22H,3-10H2,1-2H3,(H2,21,23,24)/t14-,15+
PDB

UniProtKB/SwissProt

antibodypedia
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US Patent
0.318n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...


Citation and Details
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM207147
PNG
(US9260439, 124)
Show SMILES CC(C)OC(=O)N1CC[C@@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOC[C@@H]1C
Show InChI InChI=1/C23H32N8O3/c1-14(2)34-23(32)29-6-4-17(12-29)31-7-5-18-19(16-10-25-21(24)26-11-16)27-22(28-20(18)31)30-8-9-33-13-15(30)3/h10-11,14-15,17H,4-9,12-13H2,1-3H3,(H2,24,25,26)/t15-,17-/s2
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antibodypedia
antibodypedia
antibodypedia
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UniChem
US Patent
0.333n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...


Citation and Details
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM207096
PNG
(US9260439, 73)
Show SMILES CS(=O)(=O)N1CC(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C18H24N8O3S/c1-30(27,28)25-10-13(11-25)26-3-2-14-15(12-8-20-17(19)21-9-12)22-18(23-16(14)26)24-4-6-29-7-5-24/h8-9,13H,2-7,10-11H2,1H3,(H2,19,20,21)
PDB

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antibodypedia
antibodypedia
antibodypedia
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PC cid
PC sid
UniChem
US Patent
0.350n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...


Citation and Details
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM207153
PNG
(US9260439, 130)
Show SMILES CNS(=O)(=O)[C@H]1CC[C@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1/C20H28N8O3S/c1-22-32(29,30)15-3-2-14(10-15)28-5-4-16-17(13-11-23-19(21)24-12-13)25-20(26-18(16)28)27-6-8-31-9-7-27/h11-12,14-15,22H,2-10H2,1H3,(H2,21,23,24)/t14-,15+/s2
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
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AffyNet 
PC cid
PC sid
UniChem
US Patent
0.352n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...


Citation and Details
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM207099
PNG
(US9260439, 76)
Show SMILES C[C@H]1COCCN1c1nc2N(CCc2c(n1)-c1cnc(N)nc1)[C@H]1CCN(C1)C(=O)OC(C)(C)C
Show InChI InChI=1/C24H34N8O3/c1-15-14-34-10-9-31(15)22-28-19(16-11-26-21(25)27-12-16)18-6-8-32(20(18)29-22)17-5-7-30(13-17)23(33)35-24(2,3)4/h11-12,15,17H,5-10,13-14H2,1-4H3,(H2,25,26,27)/t15-,17-/s2
PDB

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antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.359n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...


Citation and Details
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM207152
PNG
(US9260439, 129)
Show SMILES CN(C)S(=O)(=O)[C@H]1CC[C@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1/C21H30N8O3S/c1-27(2)33(30,31)16-4-3-15(11-16)29-6-5-17-18(14-12-23-20(22)24-13-14)25-21(26-19(17)29)28-7-9-32-10-8-28/h12-13,15-16H,3-11H2,1-2H3,(H2,22,23,24)/t15-,16+/s2
PDB

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antibodypedia
antibodypedia
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PC cid
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UniChem
US Patent
0.380n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...


Citation and Details
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM207058
PNG
(US9260439, 35)
Show SMILES Nc1ncc(cn1)-c1nc(nc2N(CCc12)[C@@H]1CCC(F)(F)C1)N1CCOCC1
Show InChI InChI=1/C19H23F2N7O/c20-19(21)3-1-13(9-19)28-4-2-14-15(12-10-23-17(22)24-11-12)25-18(26-16(14)28)27-5-7-29-8-6-27/h10-11,13H,1-9H2,(H2,22,23,24)/t13-/s2
PDB

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antibodypedia
antibodypedia
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PC sid
UniChem
US Patent
0.393n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...


Citation and Details
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM207113
PNG
(US9260439, 90)
Show SMILES C[C@H]1COCCN1c1nc2N(CCc2c(n1)-c1cnc(N)nc1)[C@H]1C[C@@H](C1)N(C)S(C)(=O)=O
Show InChI InChI=1/C21H30N8O3S/c1-13-12-32-7-6-28(13)21-25-18(14-10-23-20(22)24-11-14)17-4-5-29(19(17)26-21)16-8-15(9-16)27(2)33(3,30)31/h10-11,13,15-16H,4-9,12H2,1-3H3,(H2,22,23,24)/t13-,15-,16-/s2
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antibodypedia
antibodypedia
antibodypedia
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PC cid
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UniChem
US Patent
0.403n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...


Citation and Details
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM207069
PNG
(US9260439, 46)
Show SMILES CNS(=O)(=O)N(C)[C@H]1C[C@@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1/C20H29N9O3S/c1-22-33(30,31)27(2)14-9-15(10-14)29-4-3-16-17(13-11-23-19(21)24-12-13)25-20(26-18(16)29)28-5-7-32-8-6-28/h11-12,14-15,22H,3-10H2,1-2H3,(H2,21,23,24)/t14-,15-
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.412n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...


Citation and Details
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM207063
PNG
(US9260439, 40)
Show SMILES CO[C@H]1C[C@@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1/C19H25N7O2/c1-27-14-8-13(9-14)26-3-2-15-16(12-10-21-18(20)22-11-12)23-19(24-17(15)26)25-4-6-28-7-5-25/h10-11,13-14H,2-9H2,1H3,(H2,20,21,22)/t13-,14-
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
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PC cid
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UniChem
US Patent
0.416n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...


Citation and Details
More data for this
Ligand-Target Pair
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