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Patent code US10173995

Compile Data Set for Download or QSAR
Found 7 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
pi3k alpha)


(Homo sapiens (Human))
BDBM318958
PNG
(N-(5-(2,6-dimorpholinopyrimidin-4-yl)-4-(trifluoro...)
Show SMILES CC(=O)Nc1cc(c(cn1)-c1cc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C20H23F3N6O3/c1-13(30)25-17-10-15(20(21,22)23)14(12-24-17)16-11-18(28-2-6-31-7-3-28)27-19(26-16)29-4-8-32-9-5-29/h10-12H,2-9H2,1H3,(H,24,25,30)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.400n/an/an/an/an/an/a



Teligene Ltd.

US Patent


Assay Description
An in vitro assay which determines the ability of a test compound to inhibit PI3K alpha activity: PI3 alpha (PIK3CA) kinase-tagged T7 phage strains w...


US Patent US10173995 (2019)

More data for this
Ligand-Target Pair
pi3k alpha)


(Homo sapiens (Human))
BDBM319549
PNG
(The synthesis of 2-amino-N-(5-(2,6-dimorpholinopyr...)
Show SMILES NCC(=O)Nc1cc(c(cn1)-c1cc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C20H24F3N7O3/c21-20(22,23)14-9-16(27-18(31)11-24)25-12-13(14)15-10-17(29-1-5-32-6-2-29)28-19(26-15)30-3-7-33-8-4-30/h9-10,12H,1-8,11,24H2,(H,25,27,31)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.840n/an/an/an/an/an/a



Teligene Ltd.

US Patent


Assay Description
An in vitro assay which determines the ability of a test compound to inhibit PI3K alpha activity: PI3 alpha (PIK3CA) kinase-tagged T7 phage strains w...


US Patent US10173995 (2019)

More data for this
Ligand-Target Pair
pi3k alpha)


(Homo sapiens (Human))
BDBM318959
PNG
(5-(2,6-dimorpholinopyrimidin-4-yl)-N-methyl-4-(tri...)
Show SMILES CNc1cc(c(cn1)-c1cc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C19H23F3N6O2/c1-23-16-10-14(19(20,21)22)13(12-24-16)15-11-17(27-2-6-29-7-3-27)26-18(25-15)28-4-8-30-9-5-28/h10-12H,2-9H2,1H3,(H,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.90n/an/an/an/an/an/a



Teligene Ltd.

US Patent


Assay Description
An in vitro assay which determines the ability of a test compound to inhibit PI3K alpha activity: PI3 alpha (PIK3CA) kinase-tagged T7 phage strains w...


US Patent US10173995 (2019)

More data for this
Ligand-Target Pair
pi3k alpha)


(Homo sapiens (Human))
BDBM318960
PNG
(5-(2,6-dimorpholinopyrimidin-4-yl)-N-ethyl-4-(trif...)
Show SMILES CCNc1cc(c(cn1)-c1cc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C20H25F3N6O2/c1-2-24-17-11-15(20(21,22)23)14(13-25-17)16-12-18(28-3-7-30-8-4-28)27-19(26-16)29-5-9-31-10-6-29/h11-13H,2-10H2,1H3,(H,24,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 10n/an/an/an/an/an/a



Teligene Ltd.

US Patent


Assay Description
An in vitro assay which determines the ability of a test compound to inhibit PI3K alpha activity: PI3 alpha (PIK3CA) kinase-tagged T7 phage strains w...


US Patent US10173995 (2019)

More data for this
Ligand-Target Pair
pi3k alpha)


(Homo sapiens (Human))
BDBM318958
PNG
(N-(5-(2,6-dimorpholinopyrimidin-4-yl)-4-(trifluoro...)
Show SMILES CC(=O)Nc1cc(c(cn1)-c1cc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C20H23F3N6O3/c1-13(30)25-17-10-15(20(21,22)23)14(12-24-17)16-11-18(28-2-6-31-7-3-28)27-19(26-16)29-4-8-32-9-5-29/h10-12H,2-9H2,1H3,(H,24,25,30)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 32n/an/an/an/an/an/a



Teligene Ltd.

US Patent


Assay Description
An in vitro assay which determines the ability of a test compound to inhibit PI3K alpha activity: PI3 delta (PIK3CD) kinase-tagged T7 phage strains w...


US Patent US10173995 (2019)

More data for this
Ligand-Target Pair
pi3k alpha)


(Homo sapiens (Human))
BDBM319548
PNG
(The synthesis of 5-(2,6-dimorpholinopyrimidin-4-yl...)
Show SMILES CCCNc1cc(c(cn1)-c1cc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C21H27F3N6O2/c1-2-3-25-18-12-16(21(22,23)24)15(14-26-18)17-13-19(29-4-8-31-9-5-29)28-20(27-17)30-6-10-32-11-7-30/h12-14H,2-11H2,1H3,(H,25,26)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 60n/an/an/an/an/an/a



Teligene Ltd.

US Patent


Assay Description
An in vitro assay which determines the ability of a test compound to inhibit PI3K alpha activity: PI3 alpha (PIK3CA) kinase-tagged T7 phage strains w...


US Patent US10173995 (2019)

More data for this
Ligand-Target Pair
pi3k alpha)


(Homo sapiens (Human))
BDBM50380363
PNG
(CHEMBL2017974 | US10173995, Compound 1)
Show SMILES Nc1cc(c(cn1)-c1cc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C18H21F3N6O2/c19-18(20,21)13-9-15(22)23-11-12(13)14-10-16(26-1-5-28-6-2-26)25-17(24-14)27-3-7-29-8-4-27/h9-11H,1-8H2,(H2,22,23)
PDB

UniProtKB/SwissProt

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CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

US Patent
n/an/a 310n/an/an/an/an/an/a



Teligene Ltd.

US Patent


Assay Description
An in vitro assay which determines the ability of a test compound to inhibit PI3K alpha activity: PI3 delta (PIK3CD) kinase-tagged T7 phage strains w...


US Patent US10173995 (2019)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%