BindingDB logo
myBDB logout

Patent code US9867826

Compile Data Set for Download or QSAR
Found 100 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
P70S6K (T412E)


(Homo sapiens (Human))
BDBM364970
PNG
(4-Amino-6-{3,4-cis-4-[1-(2-azetidin-1-yl-ethyl)-4-...)
Show SMILES Nc1ncnc(N2CC[C@H]([C@@H](F)C2)c2nc(cn2CCN2CCC2)-c2ccc(F)c(c2)C(F)(F)F)c1C#N
Show InChI InChI=1/C25H25F5N8/c26-19-3-2-15(10-18(19)25(28,29)30)21-13-38(9-8-36-5-1-6-36)24(35-21)16-4-7-37(12-20(16)27)23-17(11-31)22(32)33-14-34-23/h2-3,10,13-14,16,20H,1,4-9,12H2,(H2,32,33,34)/t16-,20+/s2
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM364970
PNG
(4-Amino-6-{3,4-cis-4-[1-(2-azetidin-1-yl-ethyl)-4-...)
Show SMILES Nc1ncnc(N2CC[C@H]([C@@H](F)C2)c2nc(cn2CCN2CCC2)-c2ccc(F)c(c2)C(F)(F)F)c1C#N
Show InChI InChI=1/C25H25F5N8/c26-19-3-2-15(10-18(19)25(28,29)30)21-13-38(9-8-36-5-1-6-36)24(35-21)16-4-7-37(12-20(16)27)23-17(11-31)22(32)33-14-34-23/h2-3,10,13-14,16,20H,1,4-9,12H2,(H2,32,33,34)/t16-,20+/s2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
AKT: A TTP Mosquito liquid handling instrument was used to place 125 nl of the appropriate concentration of inhibitor in 100% DMSO (for a dose respon...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM364971
PNG
(4-Amino-6-{3,4-cis-4-[1-(2-azetidin-1-yl-ethyl)-4-...)
Show SMILES NC(=O)c1c(N)ncnc1N1CC[C@H]([C@@H](F)C1)c1nc(cn1CCN1CCC1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1/C25H27F5N8O/c26-17-3-2-14(10-16(17)25(28,29)30)19-12-38(9-8-36-5-1-6-36)23(35-19)15-4-7-37(11-18(15)27)24-20(22(32)39)21(31)33-13-34-24/h2-3,10,12-13,15,18H,1,4-9,11H2,(H2,32,39)(H2,31,33,34)/t15-,18+/s2
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM364981
PNG
(6-{3,4-cis-4-[1-(2-Azetidin-1-yl-ethyl)-4-(4-fluor...)
Show SMILES Nc1ncnc(N2CC[C@H]([C@@H](F)C2)c2nc(cn2CCN2CCC2)-c2ccc(F)c(c2)C(F)(F)F)c1Cl
Show InChI InChI=1/C24H25ClF5N7/c25-20-21(31)32-13-33-23(20)36-7-4-15(18(27)11-36)22-34-19(12-37(22)9-8-35-5-1-6-35)14-2-3-17(26)16(10-14)24(28,29)30/h2-3,10,12-13,15,18H,1,4-9,11H2,(H2,31,32,33)/t15-,18+/s2
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM364981
PNG
(6-{3,4-cis-4-[1-(2-Azetidin-1-yl-ethyl)-4-(4-fluor...)
Show SMILES Nc1ncnc(N2CC[C@H]([C@@H](F)C2)c2nc(cn2CCN2CCC2)-c2ccc(F)c(c2)C(F)(F)F)c1Cl
Show InChI InChI=1/C24H25ClF5N7/c25-20-21(31)32-13-33-23(20)36-7-4-15(18(27)11-36)22-34-19(12-37(22)9-8-35-5-1-6-35)14-2-3-17(26)16(10-14)24(28,29)30/h2-3,10,12-13,15,18H,1,4-9,11H2,(H2,31,32,33)/t15-,18+/s2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
AKT: A TTP Mosquito liquid handling instrument was used to place 125 nl of the appropriate concentration of inhibitor in 100% DMSO (for a dose respon...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM364971
PNG
(4-Amino-6-{3,4-cis-4-[1-(2-azetidin-1-yl-ethyl)-4-...)
Show SMILES NC(=O)c1c(N)ncnc1N1CC[C@H]([C@@H](F)C1)c1nc(cn1CCN1CCC1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1/C25H27F5N8O/c26-17-3-2-14(10-16(17)25(28,29)30)19-12-38(9-8-36-5-1-6-36)23(35-19)15-4-7-37(11-18(15)27)24-20(22(32)39)21(31)33-13-34-24/h2-3,10,12-13,15,18H,1,4-9,11H2,(H2,32,39)(H2,31,33,34)/t15-,18+/s2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
AKT: A TTP Mosquito liquid handling instrument was used to place 125 nl of the appropriate concentration of inhibitor in 100% DMSO (for a dose respon...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM364982
PNG
(6-{3,4-trans-4-[1-(2-Azetidin-1-yl-ethyl)-4-(4-flu...)
Show SMILES Nc1ncnc(N2CC[C@H]([C@H](F)C2)c2nc(cn2CCN2CCC2)-c2ccc(F)c(c2)C(F)(F)F)c1Cl
Show InChI InChI=1/C24H25ClF5N7/c25-20-21(31)32-13-33-23(20)36-7-4-15(18(27)11-36)22-34-19(12-37(22)9-8-35-5-1-6-35)14-2-3-17(26)16(10-14)24(28,29)30/h2-3,10,12-13,15,18H,1,4-9,11H2,(H2,31,32,33)/t15-,18-/s2
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM364993
PNG
(6-{cis-4-[1-(2-Dimethylamino-ethyl)-4-(4-fluoro-3-...)
Show SMILES CC(C)c1c(N)ncnc1N1CC[C@H]([C@@H](F)C1)c1nc(cn1CCN(C)C)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C26H32F5N7/c1-15(2)22-23(32)33-14-34-25(22)37-8-7-17(20(28)12-37)24-35-21(13-38(24)10-9-36(3)4)16-5-6-19(27)18(11-16)26(29,30)31/h5-6,11,13-15,17,20H,7-10,12H2,1-4H3,(H2,32,33,34)/t17-,20+/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM365003
PNG
(4-Amino-6-{cis-4-[1-(2-azetidin-1-yl-ethyl)-4-(4-f...)
Show SMILES Cc1cc(ccc1F)-c1cn(CCN2CCC2)c(n1)[C@@H]1CCN(C[C@@H]1F)c1ncnc(N)c1C(N)=O
Show InChI InChI=1S/C25H30F2N8O/c1-15-11-16(3-4-18(15)26)20-13-35(10-9-33-6-2-7-33)24(32-20)17-5-8-34(12-19(17)27)25-21(23(29)36)22(28)30-14-31-25/h3-4,11,13-14,17,19H,2,5-10,12H2,1H3,(H2,29,36)(H2,28,30,31)/t17-,19+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
AKT: A TTP Mosquito liquid handling instrument was used to place 125 nl of the appropriate concentration of inhibitor in 100% DMSO (for a dose respon...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM365734
PNG
(6-{cis-4-[1-(2-Amino-ethyl)-4-(4-fluoro-3-trifluor...)
Show SMILES CC(C)c1c(N)ncnc1N1CC[C@H]([C@@H](F)C1)c1nc(cn1CCN)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H28F5N7/c1-13(2)20-21(31)32-12-33-23(20)35-7-5-15(18(26)10-35)22-34-19(11-36(22)8-6-30)14-3-4-17(25)16(9-14)24(27,28)29/h3-4,9,11-13,15,18H,5-8,10,30H2,1-2H3,(H2,31,32,33)/t15-,18+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
AKT: A TTP Mosquito liquid handling instrument was used to place 125 nl of the appropriate concentration of inhibitor in 100% DMSO (for a dose respon...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM365742
PNG
(6-{cis-4-[1-Azetidin-3-ylmethyl-4-(4-fluoro-3-meth...)
Show SMILES CC(C)c1c(N)ncnc1N1CC[C@H]([C@@H](F)C1)c1nc(cn1CC1CNC1)-c1ccc(F)c(C)c1
Show InChI InChI=1S/C26H33F2N7/c1-15(2)23-24(29)31-14-32-26(23)34-7-6-19(21(28)12-34)25-33-22(13-35(25)11-17-9-30-10-17)18-4-5-20(27)16(3)8-18/h4-5,8,13-15,17,19,21,30H,6-7,9-12H2,1-3H3,(H2,29,31,32)/t19-,21+/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM365743
PNG
(US9867826, Compound 42 | cis-4-[1-(2-Azetidin-1-yl...)
Show SMILES F[C@H]1CN(CC[C@H]1c1nc(cn1CCN1CCC1)-c1ccc(F)c(c1)C(F)(F)F)c1ncnc2[nH]cc(C#N)c12
Show InChI InChI=1/C27H25F5N8/c28-20-3-2-16(10-19(20)27(30,31)32)22-14-40(9-8-38-5-1-6-38)25(37-22)18-4-7-39(13-21(18)29)26-23-17(11-33)12-34-24(23)35-15-36-26/h2-3,10,12,14-15,18,21H,1,4-9,13H2,(H,34,35,36)/t18-,21+/s2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
AKT: A TTP Mosquito liquid handling instrument was used to place 125 nl of the appropriate concentration of inhibitor in 100% DMSO (for a dose respon...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM365751
PNG
(6-{4-[1-(2-Azetidin-1-yl-ethyl)-4-(4-fluoro-3-meth...)
Show SMILES CC(C)c1c(N)ncnc1N1CCC(c2nc(cn2CCN2CCC2)-c2ccc(F)c(C)c2)C(F)(F)C1
Show InChI InChI=1/C27H34F3N7/c1-17(2)23-24(31)32-16-33-26(23)37-10-7-20(27(29,30)15-37)25-34-22(19-5-6-21(28)18(3)13-19)14-36(25)12-11-35-8-4-9-35/h5-6,13-14,16-17,20H,4,7-12,15H2,1-3H3,(H2,31,32,33)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM364976
PNG
(4-amino-6-{3,4-trans-4-[1-(2-azetidin-1-yl-ethyl)-...)
Show SMILES Nc1ncnc(N2CC[C@@H]([C@@H](F)C2)c2nc(cn2CCN2CCC2)-c2ccc(F)c(c2)C(F)(F)F)c1C#N
Show InChI InChI=1/C25H25F5N8/c26-19-3-2-15(10-18(19)25(28,29)30)21-13-38(9-8-36-5-1-6-36)24(35-21)16-4-7-37(12-20(16)27)23-17(11-31)22(32)33-14-34-23/h2-3,10,13-14,16,20H,1,4-9,12H2,(H2,32,33,34)/t16-,20-/s2
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM364989
PNG
(6-{3,4-cis-4-[1-(2-Azetidin-1-yl-ethyl)-4-(4-fluor...)
Show SMILES CCOc1c(N)ncnc1N1CC[C@H]([C@@H](F)C1)c1nc(cn1CCN1CCC1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1/C26H30F5N7O/c1-2-39-22-23(32)33-15-34-25(22)37-9-6-17(20(28)13-37)24-35-21(14-38(24)11-10-36-7-3-8-36)16-4-5-19(27)18(12-16)26(29,30)31/h4-5,12,14-15,17,20H,2-3,6-11,13H2,1H3,(H2,32,33,34)/t17-,20+/s2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
AKT: A TTP Mosquito liquid handling instrument was used to place 125 nl of the appropriate concentration of inhibitor in 100% DMSO (for a dose respon...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM365002
PNG
(4-Amino-6-{cis-4-[1-(2-azetidin-1-yl-ethyl)-4-(4-f...)
Show SMILES Cc1cc(ccc1F)-c1cn(CCN2CCC2)c(n1)[C@@H]1CCN(C[C@@H]1F)c1ncnc(N)c1C#N
Show InChI InChI=1S/C25H28F2N8/c1-16-11-17(3-4-20(16)26)22-14-35(10-9-33-6-2-7-33)25(32-22)18-5-8-34(13-21(18)27)24-19(12-28)23(29)30-15-31-24/h3-4,11,14-15,18,21H,2,5-10,13H2,1H3,(H2,29,30,31)/t18-,21+/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM365009
PNG
(6-{(3R,4S)-4-[1-(2-Azetidin-1-yl-ethyl)-4-(4-fluor...)
Show SMILES CCOc1c(N)ncnc1N1CC[C@H]([C@@H](F)C1)c1nc(cn1CCN1CCC1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C26H30F5N7O/c1-2-39-22-23(32)33-15-34-25(22)37-9-6-17(20(28)13-37)24-35-21(14-38(24)11-10-36-7-3-8-36)16-4-5-19(27)18(12-16)26(29,30)31/h4-5,12,14-15,17,20H,2-3,6-11,13H2,1H3,(H2,32,33,34)/t17-,20+/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM365009
PNG
(6-{(3R,4S)-4-[1-(2-Azetidin-1-yl-ethyl)-4-(4-fluor...)
Show SMILES CCOc1c(N)ncnc1N1CC[C@H]([C@@H](F)C1)c1nc(cn1CCN1CCC1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C26H30F5N7O/c1-2-39-22-23(32)33-15-34-25(22)37-9-6-17(20(28)13-37)24-35-21(14-38(24)11-10-36-7-3-8-36)16-4-5-19(27)18(12-16)26(29,30)31/h4-5,12,14-15,17,20H,2-3,6-11,13H2,1H3,(H2,32,33,34)/t17-,20+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
AKT: A TTP Mosquito liquid handling instrument was used to place 125 nl of the appropriate concentration of inhibitor in 100% DMSO (for a dose respon...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM365010
PNG
(6-{(3S,4R)-4-[1-(2-Azetidin-1-yl-ethyl)-4-(4-fluor...)
Show SMILES CCOc1c(N)ncnc1N1CC[C@@H]([C@H](F)C1)c1nc(cn1CCN1CCC1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C26H30F5N7O/c1-2-39-22-23(32)33-15-34-25(22)37-9-6-17(20(28)13-37)24-35-21(14-38(24)11-10-36-7-3-8-36)16-4-5-19(27)18(12-16)26(29,30)31/h4-5,12,14-15,17,20H,2-3,6-11,13H2,1H3,(H2,32,33,34)/t17-,20+/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM365010
PNG
(6-{(3S,4R)-4-[1-(2-Azetidin-1-yl-ethyl)-4-(4-fluor...)
Show SMILES CCOc1c(N)ncnc1N1CC[C@@H]([C@H](F)C1)c1nc(cn1CCN1CCC1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C26H30F5N7O/c1-2-39-22-23(32)33-15-34-25(22)37-9-6-17(20(28)13-37)24-35-21(14-38(24)11-10-36-7-3-8-36)16-4-5-19(27)18(12-16)26(29,30)31/h4-5,12,14-15,17,20H,2-3,6-11,13H2,1H3,(H2,32,33,34)/t17-,20+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
AKT: A TTP Mosquito liquid handling instrument was used to place 125 nl of the appropriate concentration of inhibitor in 100% DMSO (for a dose respon...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM365003
PNG
(4-Amino-6-{cis-4-[1-(2-azetidin-1-yl-ethyl)-4-(4-f...)
Show SMILES Cc1cc(ccc1F)-c1cn(CCN2CCC2)c(n1)[C@@H]1CCN(C[C@@H]1F)c1ncnc(N)c1C(N)=O
Show InChI InChI=1S/C25H30F2N8O/c1-15-11-16(3-4-18(15)26)20-13-35(10-9-33-6-2-7-33)24(32-20)17-5-8-34(12-19(17)27)25-21(23(29)36)22(28)30-14-31-25/h3-4,11,13-14,17,19H,2,5-10,12H2,1H3,(H2,29,36)(H2,28,30,31)/t17-,19+/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM365732
PNG
(6-{(3S,4R)-4-[1-(2-Dimethylamino-ethyl)-4-(4-fluor...)
Show SMILES CC(C)c1c(N)ncnc1N1CC[C@@H]([C@H](F)C1)c1nc(cn1CCN(C)C)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C26H32F5N7/c1-15(2)22-23(32)33-14-34-25(22)37-8-7-17(20(28)12-37)24-35-21(13-38(24)10-9-36(3)4)16-5-6-19(27)18(11-16)26(29,30)31/h5-6,11,13-15,17,20H,7-10,12H2,1-4H3,(H2,32,33,34)/t17-,20+/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM365740
PNG
(6-{cis-4-[1-(2-Azetidin-1-yl-ethyl)-4-(4-fluoro-3-...)
Show SMILES CC(C)Oc1c(N)ncnc1N1CC[C@H]([C@@H](F)C1)c1nc(cn1CCN1CCC1)-c1ccc(F)c(C)c1
Show InChI InChI=1S/C27H35F2N7O/c1-17(2)37-24-25(30)31-16-32-27(24)35-10-7-20(22(29)14-35)26-33-23(19-5-6-21(28)18(3)13-19)15-36(26)12-11-34-8-4-9-34/h5-6,13,15-17,20,22H,4,7-12,14H2,1-3H3,(H2,30,31,32)/t20-,22+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
AKT: A TTP Mosquito liquid handling instrument was used to place 125 nl of the appropriate concentration of inhibitor in 100% DMSO (for a dose respon...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM365741
PNG
(4-Amino-6-{(3R,4S)-4-[1-(2-azetidin-1-yl-ethyl)-4-...)
Show SMILES Nc1ncnc(N2CC[C@H]([C@@H](F)C2)c2nc(cn2CCN2CCC2)-c2ccc(F)c(c2)C(F)(F)F)c1C#N
Show InChI InChI=1S/C25H25F5N8/c26-19-3-2-15(10-18(19)25(28,29)30)21-13-38(9-8-36-5-1-6-36)24(35-21)16-4-7-37(12-20(16)27)23-17(11-31)22(32)33-14-34-23/h2-3,10,13-14,16,20H,1,4-9,12H2,(H2,32,33,34)/t16-,20+/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM364978
PNG
(4-Amino-6-{3,4-trans-4-[1-(2-azetidin-1-yl-ethyl)-...)
Show SMILES NC(=O)c1c(N)ncnc1N1CC[C@H]([C@H](F)C1)c1nc(cn1CCN1CCC1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1/C25H27F5N8O/c26-17-3-2-14(10-16(17)25(28,29)30)19-12-38(9-8-36-5-1-6-36)23(35-19)15-4-7-37(11-18(15)27)24-20(22(32)39)21(31)33-13-34-24/h2-3,10,12-13,15,18H,1,4-9,11H2,(H2,32,39)(H2,31,33,34)/t15-,18-/s2
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM364985
PNG
(6-{3,4-cis-4-[1-(2-Azetidin-1-yl-ethyl)-4-(4-fluor...)
Show SMILES CCc1c(N)ncnc1N1CC[C@H]([C@@H](F)C1)c1nc(cn1CCN1CCC1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1/C26H30F5N7/c1-2-17-23(32)33-15-34-24(17)37-9-6-18(21(28)13-37)25-35-22(14-38(25)11-10-36-7-3-8-36)16-4-5-20(27)19(12-16)26(29,30)31/h4-5,12,14-15,18,21H,2-3,6-11,13H2,1H3,(H2,32,33,34)/t18-,21+/s2
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM364987
PNG
(4-Amino-6-{3,4-cis-4-[1-(2-dimethylamino-ethyl)-4-...)
Show SMILES CN(C)CCn1cc(nc1[C@@H]1CCN(C[C@@H]1F)c1ncnc(N)c1C#N)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1/C24H25F5N8/c1-35(2)7-8-37-12-20(14-3-4-18(25)17(9-14)24(27,28)29)34-23(37)15-5-6-36(11-19(15)26)22-16(10-30)21(31)32-13-33-22/h3-4,9,12-13,15,19H,5-8,11H2,1-2H3,(H2,31,32,33)/t15-,19+/s2
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM365012
PNG
(6-{cis-4-[1-(2-Azetidin-1-yl-ethyl)-4-(4-fluoro-3-...)
Show SMILES CC(C)c1c(N)ncnc1N1CC[C@H]([C@@H](F)C1)c1nc(cn1CCN1CCC1)-c1ccc(F)c(C)c1
Show InChI InChI=1S/C27H35F2N7/c1-17(2)24-25(30)31-16-32-27(24)35-10-7-20(22(29)14-35)26-33-23(19-5-6-21(28)18(3)13-19)15-36(26)12-11-34-8-4-9-34/h5-6,13,15-17,20,22H,4,7-12,14H2,1-3H3,(H2,30,31,32)/t20-,22+/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM365019
PNG
(5-Chloro-6-{(3R,4S)-4-[1-(2-dimethylamino-ethyl)-4...)
Show SMILES CN(C)CCn1cc(nc1[C@@H]1CCN(C[C@@H]1F)c1ncnc(N)c1Cl)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C23H25ClF5N7/c1-34(2)7-8-36-11-18(13-3-4-16(25)15(9-13)23(27,28)29)33-21(36)14-5-6-35(10-17(14)26)22-19(24)20(30)31-12-32-22/h3-4,9,11-12,14,17H,5-8,10H2,1-2H3,(H2,30,31,32)/t14-,17+/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM365731
PNG
(5-Chloro-6-{(3S,4R)-4-[1-(2-dimethylamino-ethyl)-4...)
Show SMILES CN(C)CCn1cc(nc1[C@H]1CCN(C[C@H]1F)c1ncnc(N)c1Cl)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C23H25ClF5N7/c1-34(2)7-8-36-11-18(13-3-4-16(25)15(9-13)23(27,28)29)33-21(36)14-5-6-35(10-17(14)26)22-19(24)20(30)31-12-32-22/h3-4,9,11-12,14,17H,5-8,10H2,1-2H3,(H2,30,31,32)/t14-,17+/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM365743
PNG
(US9867826, Compound 42 | cis-4-[1-(2-Azetidin-1-yl...)
Show SMILES F[C@H]1CN(CC[C@H]1c1nc(cn1CCN1CCC1)-c1ccc(F)c(c1)C(F)(F)F)c1ncnc2[nH]cc(C#N)c12
Show InChI InChI=1/C27H25F5N8/c28-20-3-2-16(10-19(20)27(30,31)32)22-14-40(9-8-38-5-1-6-38)25(37-22)18-4-7-39(13-21(18)29)26-23-17(11-33)12-34-24(23)35-15-36-26/h2-3,10,12,14-15,18,21H,1,4-9,13H2,(H,34,35,36)/t18-,21+/s2
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM365744
PNG
(US9867826, Compound 43 | cis-4-[1-(2-Azetidin-1-yl...)
Show SMILES F[C@H]1CN(CC[C@H]1c1nc(cn1CCN1CCC1)-c1ccnc(c1)C(F)(F)F)c1ncnc2[nH]cc(C#N)c12
Show InChI InChI=1/C26H25F4N9/c27-19-13-38(25-22-17(11-31)12-33-23(22)34-15-35-25)7-3-18(19)24-36-20(14-39(24)9-8-37-5-1-6-37)16-2-4-32-21(10-16)26(28,29)30/h2,4,10,12,14-15,18-19H,1,3,5-9,13H2,(H,33,34,35)/t18-,19+/s2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
AKT: A TTP Mosquito liquid handling instrument was used to place 125 nl of the appropriate concentration of inhibitor in 100% DMSO (for a dose respon...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM364982
PNG
(6-{3,4-trans-4-[1-(2-Azetidin-1-yl-ethyl)-4-(4-flu...)
Show SMILES Nc1ncnc(N2CC[C@H]([C@H](F)C2)c2nc(cn2CCN2CCC2)-c2ccc(F)c(c2)C(F)(F)F)c1Cl
Show InChI InChI=1/C24H25ClF5N7/c25-20-21(31)32-13-33-23(20)36-7-4-15(18(27)11-36)22-34-19(12-37(22)9-8-35-5-1-6-35)14-2-3-17(26)16(10-14)24(28,29)30/h2-3,10,12-13,15,18H,1,4-9,11H2,(H2,31,32,33)/t15-,18-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
AKT: A TTP Mosquito liquid handling instrument was used to place 125 nl of the appropriate concentration of inhibitor in 100% DMSO (for a dose respon...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM364983
PNG
(5-chloro-6-{3,4-cis-4-[1-(2-dimethylamino-ethyl)-4...)
Show SMILES CN(C)CCn1cc(nc1[C@H]1CCN(C[C@H]1F)c1ncnc(N)c1Cl)-c1ccc(F)c(C)c1
Show InChI InChI=1/C23H28ClF2N7/c1-14-10-15(4-5-17(14)25)19-12-33(9-8-31(2)3)22(30-19)16-6-7-32(11-18(16)26)23-20(24)21(27)28-13-29-23/h4-5,10,12-13,16,18H,6-9,11H2,1-3H3,(H2,27,28,29)/t16-,18+/s2
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM364985
PNG
(6-{3,4-cis-4-[1-(2-Azetidin-1-yl-ethyl)-4-(4-fluor...)
Show SMILES CCc1c(N)ncnc1N1CC[C@H]([C@@H](F)C1)c1nc(cn1CCN1CCC1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1/C26H30F5N7/c1-2-17-23(32)33-15-34-24(17)37-9-6-18(21(28)13-37)25-35-22(14-38(25)11-10-36-7-3-8-36)16-4-5-20(27)19(12-16)26(29,30)31/h4-5,12,14-15,18,21H,2-3,6-11,13H2,1H3,(H2,32,33,34)/t18-,21+/s2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
AKT: A TTP Mosquito liquid handling instrument was used to place 125 nl of the appropriate concentration of inhibitor in 100% DMSO (for a dose respon...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM364988
PNG
(4-Amino-6-{3,4-cis-4-[1-(2-dimethylamino-ethyl)-4-...)
Show SMILES CN(C)CCn1cc(nc1[C@@H]1CCN(C[C@@H]1F)c1ncnc(N)c1C(N)=O)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1/C24H27F5N8O/c1-35(2)7-8-37-11-18(13-3-4-16(25)15(9-13)24(27,28)29)34-22(37)14-5-6-36(10-17(14)26)23-19(21(31)38)20(30)32-12-33-23/h3-4,9,11-12,14,17H,5-8,10H2,1-2H3,(H2,31,38)(H2,30,32,33)/t14-,17+/s2
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM365007
PNG
(4-Amino-6-{(3R,4S)-4-[1-(2-dimethylamino-ethyl)-4-...)
Show SMILES CN(C)CCn1cc(nc1[C@@H]1CCN(C[C@@H]1F)c1ncnc(N)c1C(N)=O)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H27F5N8O/c1-35(2)7-8-37-11-18(13-3-4-16(25)15(9-13)24(27,28)29)34-22(37)14-5-6-36(10-17(14)26)23-19(21(31)38)20(30)32-12-33-23/h3-4,9,11-12,14,17H,5-8,10H2,1-2H3,(H2,31,38)(H2,30,32,33)/t14-,17+/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM365734
PNG
(6-{cis-4-[1-(2-Amino-ethyl)-4-(4-fluoro-3-trifluor...)
Show SMILES CC(C)c1c(N)ncnc1N1CC[C@H]([C@@H](F)C1)c1nc(cn1CCN)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H28F5N7/c1-13(2)20-21(31)32-12-33-23(20)35-7-5-15(18(26)10-35)22-34-19(11-36(22)8-6-30)14-3-4-17(25)16(9-14)24(27,28)29/h3-4,9,11-13,15,18H,5-8,10,30H2,1-2H3,(H2,31,32,33)/t15-,18+/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM365739
PNG
(6-{cis-3-Fluoro-4-[4-(4-fluoro-3-methyl-phenyl)-1-...)
Show SMILES CNCCn1cc(nc1[C@@H]1CCN(C[C@@H]1F)c1ncnc(N)c1C(C)C)-c1ccc(F)c(C)c1
Show InChI InChI=1S/C25H33F2N7/c1-15(2)22-23(28)30-14-31-25(22)33-9-7-18(20(27)12-33)24-32-21(13-34(24)10-8-29-4)17-5-6-19(26)16(3)11-17/h5-6,11,13-15,18,20,29H,7-10,12H2,1-4H3,(H2,28,30,31)/t18-,20+/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM365740
PNG
(6-{cis-4-[1-(2-Azetidin-1-yl-ethyl)-4-(4-fluoro-3-...)
Show SMILES CC(C)Oc1c(N)ncnc1N1CC[C@H]([C@@H](F)C1)c1nc(cn1CCN1CCC1)-c1ccc(F)c(C)c1
Show InChI InChI=1S/C27H35F2N7O/c1-17(2)37-24-25(30)31-16-32-27(24)35-10-7-20(22(29)14-35)26-33-23(19-5-6-21(28)18(3)13-19)15-36(26)12-11-34-8-4-9-34/h5-6,13,15-17,20,22H,4,7-12,14H2,1-3H3,(H2,30,31,32)/t20-,22+/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM365746
PNG
(1-(6-Amino-5-isopropyl-pyrimidin-4-yl)-4-[1-(2-aze...)
Show SMILES CC(C)c1c(N)ncnc1N1CCC(O)(CC1)c1nc(cn1CCN1CCC1)-c1ccc(F)c(C)c1
Show InChI InChI=1S/C27H36FN7O/c1-18(2)23-24(29)30-17-31-25(23)34-11-7-27(36,8-12-34)26-32-22(20-5-6-21(28)19(3)15-20)16-35(26)14-13-33-9-4-10-33/h5-6,15-18,36H,4,7-14H2,1-3H3,(H2,29,30,31)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
AKT: A TTP Mosquito liquid handling instrument was used to place 125 nl of the appropriate concentration of inhibitor in 100% DMSO (for a dose respon...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM365747
PNG
(1-(6-Amino-5-ethyl-pyrimidin-4-yl)-4-[1-(2-azetidi...)
Show SMILES CCc1c(N)ncnc1N1CCC(O)(CC1)c1nc(cn1CCN1CCC1)-c1ccc(F)c(C)c1
Show InChI InChI=1S/C26H34FN7O/c1-3-20-23(28)29-17-30-24(20)33-11-7-26(35,8-12-33)25-31-22(19-5-6-21(27)18(2)15-19)16-34(25)14-13-32-9-4-10-32/h5-6,15-17,35H,3-4,7-14H2,1-2H3,(H2,28,29,30)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM364972
PNG
(4-amino-6-[(3R,4S)-4-[1-[2-(azetidin-1-yl)ethyl]-4...)
Show SMILES NC(=O)c1c(N)ncnc1N1CC[C@H]([C@@H](F)C1)c1nc(cn1CCN1CCC1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C25H27F5N8O/c26-17-3-2-14(10-16(17)25(28,29)30)19-12-38(9-8-36-5-1-6-36)23(35-19)15-4-7-37(11-18(15)27)24-20(22(32)39)21(31)33-13-34-24/h2-3,10,12-13,15,18H,1,4-9,11H2,(H2,32,39)(H2,31,33,34)/t15-,18+/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM364983
PNG
(5-chloro-6-{3,4-cis-4-[1-(2-dimethylamino-ethyl)-4...)
Show SMILES CN(C)CCn1cc(nc1[C@H]1CCN(C[C@H]1F)c1ncnc(N)c1Cl)-c1ccc(F)c(C)c1
Show InChI InChI=1/C23H28ClF2N7/c1-14-10-15(4-5-17(14)25)19-12-33(9-8-31(2)3)22(30-19)16-6-7-32(11-18(16)26)23-20(24)21(27)28-13-29-23/h4-5,10,12-13,16,18H,6-9,11H2,1-3H3,(H2,27,28,29)/t16-,18+/s2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
AKT: A TTP Mosquito liquid handling instrument was used to place 125 nl of the appropriate concentration of inhibitor in 100% DMSO (for a dose respon...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM365014
PNG
(5-Chloro-6-cis-4-[1-(2-dimethylamino-ethyl)-4-(4-f...)
Show SMILES CN(C)CCn1cc(nc1[C@@H]1CCN(C[C@@H]1F)c1ncnc(N)c1Cl)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1/C23H25ClF5N7/c1-34(2)7-8-36-11-18(13-3-4-16(25)15(9-13)23(27,28)29)33-21(36)14-5-6-35(10-17(14)26)22-19(24)20(30)31-12-32-22/h3-4,9,11-12,14,17H,5-8,10H2,1-2H3,(H2,30,31,32)/t14-,17+/s2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
AKT: A TTP Mosquito liquid handling instrument was used to place 125 nl of the appropriate concentration of inhibitor in 100% DMSO (for a dose respon...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM364993
PNG
(6-{cis-4-[1-(2-Dimethylamino-ethyl)-4-(4-fluoro-3-...)
Show SMILES CC(C)c1c(N)ncnc1N1CC[C@H]([C@@H](F)C1)c1nc(cn1CCN(C)C)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C26H32F5N7/c1-15(2)22-23(32)33-14-34-25(22)37-8-7-17(20(28)12-37)24-35-21(13-38(24)10-9-36(3)4)16-5-6-19(27)18(11-16)26(29,30)31/h5-6,11,13-15,17,20H,7-10,12H2,1-4H3,(H2,32,33,34)/t17-,20+/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM365735
PNG
(6-{(3S,4R)-4-[1-(2-Azetidin-1-yl-ethyl)-4-(4-fluor...)
Show SMILES CC(C)c1c(N)ncnc1N1CC[C@@H]([C@H](F)C1)c1nc(cn1CCN1CCC1)-c1ccc(F)c(C)c1
Show InChI InChI=1S/C27H35F2N7/c1-17(2)24-25(30)31-16-32-27(24)35-10-7-20(22(29)14-35)26-33-23(19-5-6-21(28)18(3)13-19)15-36(26)12-11-34-8-4-9-34/h5-6,13,15-17,20,22H,4,7-12,14H2,1-3H3,(H2,30,31,32)/t20-,22+/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM365739
PNG
(6-{cis-3-Fluoro-4-[4-(4-fluoro-3-methyl-phenyl)-1-...)
Show SMILES CNCCn1cc(nc1[C@@H]1CCN(C[C@@H]1F)c1ncnc(N)c1C(C)C)-c1ccc(F)c(C)c1
Show InChI InChI=1S/C25H33F2N7/c1-15(2)22-23(28)30-14-31-25(22)33-9-7-18(20(27)12-33)24-32-21(13-34(24)10-8-29-4)17-5-6-19(26)16(3)11-17/h5-6,11,13-15,18,20,29H,7-10,12H2,1-4H3,(H2,28,30,31)/t18-,20+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
AKT: A TTP Mosquito liquid handling instrument was used to place 125 nl of the appropriate concentration of inhibitor in 100% DMSO (for a dose respon...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM365741
PNG
(4-Amino-6-{(3R,4S)-4-[1-(2-azetidin-1-yl-ethyl)-4-...)
Show SMILES Nc1ncnc(N2CC[C@H]([C@@H](F)C2)c2nc(cn2CCN2CCC2)-c2ccc(F)c(c2)C(F)(F)F)c1C#N
Show InChI InChI=1S/C25H25F5N8/c26-19-3-2-15(10-18(19)25(28,29)30)21-13-38(9-8-36-5-1-6-36)24(35-21)16-4-7-37(12-20(16)27)23-17(11-31)22(32)33-14-34-23/h2-3,10,13-14,16,20H,1,4-9,12H2,(H2,32,33,34)/t16-,20+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
AKT: A TTP Mosquito liquid handling instrument was used to place 125 nl of the appropriate concentration of inhibitor in 100% DMSO (for a dose respon...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM365742
PNG
(6-{cis-4-[1-Azetidin-3-ylmethyl-4-(4-fluoro-3-meth...)
Show SMILES CC(C)c1c(N)ncnc1N1CC[C@H]([C@@H](F)C1)c1nc(cn1CC1CNC1)-c1ccc(F)c(C)c1
Show InChI InChI=1S/C26H33F2N7/c1-15(2)23-24(29)31-14-32-26(23)34-7-6-19(21(28)12-34)25-33-22(13-35(25)11-17-9-30-10-17)18-4-5-20(27)16(3)8-18/h4-5,8,13-15,17,19,21,30H,6-7,9-12H2,1-3H3,(H2,29,31,32)/t19-,21+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
AKT: A TTP Mosquito liquid handling instrument was used to place 125 nl of the appropriate concentration of inhibitor in 100% DMSO (for a dose respon...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM365745
PNG
(4-Amino-6-{4-[1-(2-azetidin-1-yl-ethyl)-4-(4-fluor...)
Show SMILES Cc1cc(ccc1F)-c1cn(CCN2CCC2)c(n1)C1(O)CCN(CC1)c1ncnc(N)c1C#N
Show InChI InChI=1S/C25H29FN8O/c1-17-13-18(3-4-20(17)26)21-15-34(12-11-32-7-2-8-32)24(31-21)25(35)5-9-33(10-6-25)23-19(14-27)22(28)29-16-30-23/h3-4,13,15-16,35H,2,5-12H2,1H3,(H2,28,29,30)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM365747
PNG
(1-(6-Amino-5-ethyl-pyrimidin-4-yl)-4-[1-(2-azetidi...)
Show SMILES CCc1c(N)ncnc1N1CCC(O)(CC1)c1nc(cn1CCN1CCC1)-c1ccc(F)c(C)c1
Show InChI InChI=1S/C26H34FN7O/c1-3-20-23(28)29-17-30-24(20)33-11-7-26(35,8-12-33)25-31-22(19-5-6-21(27)18(2)15-19)16-34(25)14-13-32-9-4-10-32/h5-6,15-17,35H,3-4,7-14H2,1-2H3,(H2,28,29,30)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
AKT: A TTP Mosquito liquid handling instrument was used to place 125 nl of the appropriate concentration of inhibitor in 100% DMSO (for a dose respon...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM365748
PNG
(1-(6-Amino-5-chloro-pyrimidin-4-yl)-4-[1-(2-azetid...)
Show SMILES Cc1cc(ccc1F)-c1cn(CCN2CCC2)c(n1)C1(O)CCN(CC1)c1ncnc(N)c1Cl
Show InChI InChI=1S/C24H29ClFN7O/c1-16-13-17(3-4-18(16)26)19-14-33(12-11-31-7-2-8-31)23(30-19)24(34)5-9-32(10-6-24)22-20(25)21(27)28-15-29-22/h3-4,13-15,34H,2,5-12H2,1H3,(H2,27,28,29)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
AKT: A TTP Mosquito liquid handling instrument was used to place 125 nl of the appropriate concentration of inhibitor in 100% DMSO (for a dose respon...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM365749
PNG
(4-Amino-6-{4-[1-(2-azetidin-1-yl-ethyl)-4-(4-fluor...)
Show SMILES Cc1cc(ccc1F)-c1cn(CCN2CCC2)c(n1)C1CCN(CC1(F)F)c1ncnc(N)c1C#N
Show InChI InChI=1/C25H27F3N8/c1-16-11-17(3-4-20(16)26)21-13-35(10-9-34-6-2-7-34)24(33-21)19-5-8-36(14-25(19,27)28)23-18(12-29)22(30)31-15-32-23/h3-4,11,13,15,19H,2,5-10,14H2,1H3,(H2,30,31,32)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
AKT: A TTP Mosquito liquid handling instrument was used to place 125 nl of the appropriate concentration of inhibitor in 100% DMSO (for a dose respon...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM364973
PNG
(4-amino-6-[(3S,4R)-4-[1-[2-(azetidin-1-yl)ethyl]-4...)
Show SMILES NC(=O)c1c(N)ncnc1N1CC[C@@H]([C@H](F)C1)c1nc(cn1CCN1CCC1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C25H27F5N8O/c26-17-3-2-14(10-16(17)25(28,29)30)19-12-38(9-8-36-5-1-6-36)23(35-19)15-4-7-37(11-18(15)27)24-20(22(32)39)21(31)33-13-34-24/h2-3,10,12-13,15,18H,1,4-9,11H2,(H2,32,39)(H2,31,33,34)/t15-,18+/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM364989
PNG
(6-{3,4-cis-4-[1-(2-Azetidin-1-yl-ethyl)-4-(4-fluor...)
Show SMILES CCOc1c(N)ncnc1N1CC[C@H]([C@@H](F)C1)c1nc(cn1CCN1CCC1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1/C26H30F5N7O/c1-2-39-22-23(32)33-15-34-25(22)37-9-6-17(20(28)13-37)24-35-21(14-38(24)11-10-36-7-3-8-36)16-4-5-19(27)18(12-16)26(29,30)31/h4-5,12,14-15,17,20H,2-3,6-11,13H2,1H3,(H2,32,33,34)/t17-,20+/s2
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM365002
PNG
(4-Amino-6-{cis-4-[1-(2-azetidin-1-yl-ethyl)-4-(4-f...)
Show SMILES Cc1cc(ccc1F)-c1cn(CCN2CCC2)c(n1)[C@@H]1CCN(C[C@@H]1F)c1ncnc(N)c1C#N
Show InChI InChI=1S/C25H28F2N8/c1-16-11-17(3-4-20(16)26)22-14-35(10-9-33-6-2-7-33)25(32-22)18-5-8-34(13-21(18)27)24-19(12-28)23(29)30-15-31-24/h3-4,11,14-15,18,21H,2,5-10,13H2,1H3,(H2,29,30,31)/t18-,21+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
AKT: A TTP Mosquito liquid handling instrument was used to place 125 nl of the appropriate concentration of inhibitor in 100% DMSO (for a dose respon...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM365004
PNG
(4-Amino-6-{(3S,4R)-4-[1-(2-dimethylamino-ethyl)-4-...)
Show SMILES CN(C)CCn1cc(nc1[C@H]1CCN(C[C@H]1F)c1ncnc(N)c1C(N)=O)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H27F5N8O/c1-35(2)7-8-37-11-18(13-3-4-16(25)15(9-13)24(27,28)29)34-22(37)14-5-6-36(10-17(14)26)23-19(21(31)38)20(30)32-12-33-23/h3-4,9,11-12,14,17H,5-8,10H2,1-2H3,(H2,31,38)(H2,30,32,33)/t14-,17+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
AKT: A TTP Mosquito liquid handling instrument was used to place 125 nl of the appropriate concentration of inhibitor in 100% DMSO (for a dose respon...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM365012
PNG
(6-{cis-4-[1-(2-Azetidin-1-yl-ethyl)-4-(4-fluoro-3-...)
Show SMILES CC(C)c1c(N)ncnc1N1CC[C@H]([C@@H](F)C1)c1nc(cn1CCN1CCC1)-c1ccc(F)c(C)c1
Show InChI InChI=1S/C27H35F2N7/c1-17(2)24-25(30)31-16-32-27(24)35-10-7-20(22(29)14-35)26-33-23(19-5-6-21(28)18(3)13-19)15-36(26)12-11-34-8-4-9-34/h5-6,13,15-17,20,22H,4,7-12,14H2,1-3H3,(H2,30,31,32)/t20-,22+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
AKT: A TTP Mosquito liquid handling instrument was used to place 125 nl of the appropriate concentration of inhibitor in 100% DMSO (for a dose respon...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM365016
PNG
(6-{cis-3-Fluoro-4-[4-(4-fluoro-3-trifluoromethyl-p...)
Show SMILES CC(C)c1c(N)ncnc1N1CC[C@H]([C@@H](F)C1)c1nc(c[nH]1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C22H23F5N6/c1-11(2)18-19(28)30-10-31-21(18)33-6-5-13(16(24)9-33)20-29-8-17(32-20)12-3-4-15(23)14(7-12)22(25,26)27/h3-4,7-8,10-11,13,16H,5-6,9H2,1-2H3,(H,29,32)(H2,28,30,31)/t13-,16+/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM365019
PNG
(5-Chloro-6-{(3R,4S)-4-[1-(2-dimethylamino-ethyl)-4...)
Show SMILES CN(C)CCn1cc(nc1[C@@H]1CCN(C[C@@H]1F)c1ncnc(N)c1Cl)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C23H25ClF5N7/c1-34(2)7-8-36-11-18(13-3-4-16(25)15(9-13)23(27,28)29)33-21(36)14-5-6-35(10-17(14)26)22-19(24)20(30)31-12-32-22/h3-4,9,11-12,14,17H,5-8,10H2,1-2H3,(H2,30,31,32)/t14-,17+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
AKT: A TTP Mosquito liquid handling instrument was used to place 125 nl of the appropriate concentration of inhibitor in 100% DMSO (for a dose respon...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM365746
PNG
(1-(6-Amino-5-isopropyl-pyrimidin-4-yl)-4-[1-(2-aze...)
Show SMILES CC(C)c1c(N)ncnc1N1CCC(O)(CC1)c1nc(cn1CCN1CCC1)-c1ccc(F)c(C)c1
Show InChI InChI=1S/C27H36FN7O/c1-18(2)23-24(29)30-17-31-25(23)34-11-7-27(36,8-12-34)26-32-22(20-5-6-21(28)19(3)15-20)16-35(26)14-13-33-9-4-10-33/h5-6,15-18,36H,4,7-14H2,1-3H3,(H2,29,30,31)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM365748
PNG
(1-(6-Amino-5-chloro-pyrimidin-4-yl)-4-[1-(2-azetid...)
Show SMILES Cc1cc(ccc1F)-c1cn(CCN2CCC2)c(n1)C1(O)CCN(CC1)c1ncnc(N)c1Cl
Show InChI InChI=1S/C24H29ClFN7O/c1-16-13-17(3-4-18(16)26)19-14-33(12-11-31-7-2-8-31)23(30-19)24(34)5-9-32(10-6-24)22-20(25)21(27)28-15-29-22/h3-4,13-15,34H,2,5-12H2,1H3,(H2,27,28,29)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM365751
PNG
(6-{4-[1-(2-Azetidin-1-yl-ethyl)-4-(4-fluoro-3-meth...)
Show SMILES CC(C)c1c(N)ncnc1N1CCC(c2nc(cn2CCN2CCC2)-c2ccc(F)c(C)c2)C(F)(F)C1
Show InChI InChI=1/C27H34F3N7/c1-17(2)23-24(31)32-16-33-26(23)37-10-7-20(27(29,30)15-37)25-34-22(19-5-6-21(28)18(3)13-19)14-36(25)12-11-35-8-4-9-35/h5-6,13-14,16-17,20H,4,7-12,15H2,1-3H3,(H2,31,32,33)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
AKT: A TTP Mosquito liquid handling instrument was used to place 125 nl of the appropriate concentration of inhibitor in 100% DMSO (for a dose respon...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM364974
PNG
(4-Amino-6-{3,4-cis-4-[1-(2-azetidin-1-yl-ethyl)-4-...)
Show SMILES C[C@H]1CN(CC[C@H]1c1nc(cn1CCN1CCC1)-c1ccc(F)c(c1)C(F)(F)F)c1ncnc(N)c1C#N
Show InChI InChI=1/C26H28F4N8/c1-16-13-37(24-19(12-31)23(32)33-15-34-24)8-5-18(16)25-35-22(14-38(25)10-9-36-6-2-7-36)17-3-4-21(27)20(11-17)26(28,29)30/h3-4,11,14-16,18H,2,5-10,13H2,1H3,(H2,32,33,34)/t16-,18+/s2
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM364979
PNG
(4-amino-6-{3,4-cis-4-[1-(2-dimethylaminoethyl)-4-(...)
Show SMILES CN(C)CCn1cc(nc1[C@@H]1CCN(C[C@@H]1F)c1ncnc(N)c1C#N)-c1ccc(F)c(C)c1
Show InChI InChI=1/C24H28F2N8/c1-15-10-16(4-5-19(15)25)21-13-34(9-8-32(2)3)24(31-21)17-6-7-33(12-20(17)26)23-18(11-27)22(28)29-14-30-23/h4-5,10,13-14,17,20H,6-9,12H2,1-3H3,(H2,28,29,30)/t17-,20+/s2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
AKT: A TTP Mosquito liquid handling instrument was used to place 125 nl of the appropriate concentration of inhibitor in 100% DMSO (for a dose respon...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM365003
PNG
(4-Amino-6-{cis-4-[1-(2-azetidin-1-yl-ethyl)-4-(4-f...)
Show SMILES Cc1cc(ccc1F)-c1cn(CCN2CCC2)c(n1)[C@@H]1CCN(C[C@@H]1F)c1ncnc(N)c1C(N)=O
Show InChI InChI=1S/C25H30F2N8O/c1-15-11-16(3-4-18(15)26)20-13-35(10-9-33-6-2-7-33)24(32-20)17-5-8-34(12-19(17)27)25-21(23(29)36)22(28)30-14-31-25/h3-4,11,13-14,17,19H,2,5-10,12H2,1H3,(H2,29,36)(H2,28,30,31)/t17-,19+/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM365003
PNG
(4-Amino-6-{cis-4-[1-(2-azetidin-1-yl-ethyl)-4-(4-f...)
Show SMILES Cc1cc(ccc1F)-c1cn(CCN2CCC2)c(n1)[C@@H]1CCN(C[C@@H]1F)c1ncnc(N)c1C(N)=O
Show InChI InChI=1S/C25H30F2N8O/c1-15-11-16(3-4-18(15)26)20-13-35(10-9-33-6-2-7-33)24(32-20)17-5-8-34(12-19(17)27)25-21(23(29)36)22(28)30-14-31-25/h3-4,11,13-14,17,19H,2,5-10,12H2,1H3,(H2,29,36)(H2,28,30,31)/t17-,19+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
AKT: A TTP Mosquito liquid handling instrument was used to place 125 nl of the appropriate concentration of inhibitor in 100% DMSO (for a dose respon...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM364993
PNG
(6-{cis-4-[1-(2-Dimethylamino-ethyl)-4-(4-fluoro-3-...)
Show SMILES CC(C)c1c(N)ncnc1N1CC[C@H]([C@@H](F)C1)c1nc(cn1CCN(C)C)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C26H32F5N7/c1-15(2)22-23(32)33-14-34-25(22)37-8-7-17(20(28)12-37)24-35-21(13-38(24)10-9-36(3)4)16-5-6-19(27)18(11-16)26(29,30)31/h5-6,11,13-15,17,20H,7-10,12H2,1-4H3,(H2,32,33,34)/t17-,20+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
AKT: A TTP Mosquito liquid handling instrument was used to place 125 nl of the appropriate concentration of inhibitor in 100% DMSO (for a dose respon...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM365012
PNG
(6-{cis-4-[1-(2-Azetidin-1-yl-ethyl)-4-(4-fluoro-3-...)
Show SMILES CC(C)c1c(N)ncnc1N1CC[C@H]([C@@H](F)C1)c1nc(cn1CCN1CCC1)-c1ccc(F)c(C)c1
Show InChI InChI=1S/C27H35F2N7/c1-17(2)24-25(30)31-16-32-27(24)35-10-7-20(22(29)14-35)26-33-23(19-5-6-21(28)18(3)13-19)15-36(26)12-11-34-8-4-9-34/h5-6,13,15-17,20,22H,4,7-12,14H2,1-3H3,(H2,30,31,32)/t20-,22+/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM365737
PNG
(6-{(cis-4-[1-(2-Amino-ethyl)-4-(4-fluoro-3-trifluo...)
Show SMILES NCCn1cc(nc1[C@@H]1CCN(C[C@@H]1F)c1ncnc(N)c1Cl)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1/C21H21ClF5N7/c22-17-18(29)30-10-31-20(17)33-5-3-12(15(24)8-33)19-32-16(9-34(19)6-4-28)11-1-2-14(23)13(7-11)21(25,26)27/h1-2,7,9-10,12,15H,3-6,8,28H2,(H2,29,30,31)/t12-,15+/s2
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM365744
PNG
(US9867826, Compound 43 | cis-4-[1-(2-Azetidin-1-yl...)
Show SMILES F[C@H]1CN(CC[C@H]1c1nc(cn1CCN1CCC1)-c1ccnc(c1)C(F)(F)F)c1ncnc2[nH]cc(C#N)c12
Show InChI InChI=1/C26H25F4N9/c27-19-13-38(25-22-17(11-31)12-33-23(22)34-15-35-25)7-3-18(19)24-36-20(14-39(24)9-8-37-5-1-6-37)16-2-4-32-21(10-16)26(28,29)30/h2,4,10,12,14-15,18-19H,1,3,5-9,13H2,(H,33,34,35)/t18-,19+/s2
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM364972
PNG
(4-amino-6-[(3R,4S)-4-[1-[2-(azetidin-1-yl)ethyl]-4...)
Show SMILES NC(=O)c1c(N)ncnc1N1CC[C@H]([C@@H](F)C1)c1nc(cn1CCN1CCC1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C25H27F5N8O/c26-17-3-2-14(10-16(17)25(28,29)30)19-12-38(9-8-36-5-1-6-36)23(35-19)15-4-7-37(11-18(15)27)24-20(22(32)39)21(31)33-13-34-24/h2-3,10,12-13,15,18H,1,4-9,11H2,(H2,32,39)(H2,31,33,34)/t15-,18+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
AKT: A TTP Mosquito liquid handling instrument was used to place 125 nl of the appropriate concentration of inhibitor in 100% DMSO (for a dose respon...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM364979
PNG
(4-amino-6-{3,4-cis-4-[1-(2-dimethylaminoethyl)-4-(...)
Show SMILES CN(C)CCn1cc(nc1[C@@H]1CCN(C[C@@H]1F)c1ncnc(N)c1C#N)-c1ccc(F)c(C)c1
Show InChI InChI=1/C24H28F2N8/c1-15-10-16(4-5-19(15)25)21-13-34(9-8-32(2)3)24(31-21)17-6-7-33(12-20(17)26)23-18(11-27)22(28)29-14-30-23/h4-5,10,13-14,17,20H,6-9,12H2,1-3H3,(H2,28,29,30)/t17-,20+/s2
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM364987
PNG
(4-Amino-6-{3,4-cis-4-[1-(2-dimethylamino-ethyl)-4-...)
Show SMILES CN(C)CCn1cc(nc1[C@@H]1CCN(C[C@@H]1F)c1ncnc(N)c1C#N)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1/C24H25F5N8/c1-35(2)7-8-37-12-20(14-3-4-18(25)17(9-14)24(27,28)29)34-23(37)15-5-6-36(11-19(15)26)22-16(10-30)21(31)32-13-33-22/h3-4,9,12-13,15,19H,5-8,11H2,1-2H3,(H2,31,32,33)/t15-,19+/s2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
AKT: A TTP Mosquito liquid handling instrument was used to place 125 nl of the appropriate concentration of inhibitor in 100% DMSO (for a dose respon...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM365004
PNG
(4-Amino-6-{(3S,4R)-4-[1-(2-dimethylamino-ethyl)-4-...)
Show SMILES CN(C)CCn1cc(nc1[C@H]1CCN(C[C@H]1F)c1ncnc(N)c1C(N)=O)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H27F5N8O/c1-35(2)7-8-37-11-18(13-3-4-16(25)15(9-13)24(27,28)29)34-22(37)14-5-6-36(10-17(14)26)23-19(21(31)38)20(30)32-12-33-23/h3-4,9,11-12,14,17H,5-8,10H2,1-2H3,(H2,31,38)(H2,30,32,33)/t14-,17+/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM365014
PNG
(5-Chloro-6-cis-4-[1-(2-dimethylamino-ethyl)-4-(4-f...)
Show SMILES CN(C)CCn1cc(nc1[C@@H]1CCN(C[C@@H]1F)c1ncnc(N)c1Cl)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1/C23H25ClF5N7/c1-34(2)7-8-36-11-18(13-3-4-16(25)15(9-13)23(27,28)29)33-21(36)14-5-6-35(10-17(14)26)22-19(24)20(30)31-12-32-22/h3-4,9,11-12,14,17H,5-8,10H2,1-2H3,(H2,30,31,32)/t14-,17+/s2
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM365012
PNG
(6-{cis-4-[1-(2-Azetidin-1-yl-ethyl)-4-(4-fluoro-3-...)
Show SMILES CC(C)c1c(N)ncnc1N1CC[C@H]([C@@H](F)C1)c1nc(cn1CCN1CCC1)-c1ccc(F)c(C)c1
Show InChI InChI=1S/C27H35F2N7/c1-17(2)24-25(30)31-16-32-27(24)35-10-7-20(22(29)14-35)26-33-23(19-5-6-21(28)18(3)13-19)15-36(26)12-11-34-8-4-9-34/h5-6,13,15-17,20,22H,4,7-12,14H2,1-3H3,(H2,30,31,32)/t20-,22+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
AKT: A TTP Mosquito liquid handling instrument was used to place 125 nl of the appropriate concentration of inhibitor in 100% DMSO (for a dose respon...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM365737
PNG
(6-{(cis-4-[1-(2-Amino-ethyl)-4-(4-fluoro-3-trifluo...)
Show SMILES NCCn1cc(nc1[C@@H]1CCN(C[C@@H]1F)c1ncnc(N)c1Cl)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1/C21H21ClF5N7/c22-17-18(29)30-10-31-20(17)33-5-3-12(15(24)8-33)19-32-16(9-34(19)6-4-28)11-1-2-14(23)13(7-11)21(25,26)27/h1-2,7,9-10,12,15H,3-6,8,28H2,(H2,29,30,31)/t12-,15+/s2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
AKT: A TTP Mosquito liquid handling instrument was used to place 125 nl of the appropriate concentration of inhibitor in 100% DMSO (for a dose respon...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM365738
PNG
(6-{cis-3-Fluoro-4-[4-(4-fluoro-3-methyl-phenyl)-1-...)
Show SMILES CC(C)NCCn1cc(nc1[C@@H]1CCN(C[C@@H]1F)c1ncnc(N)c1C(C)C)-c1ccc(F)c(C)c1
Show InChI InChI=1S/C27H37F2N7/c1-16(2)24-25(30)32-15-33-27(24)35-10-8-20(22(29)13-35)26-34-23(14-36(26)11-9-31-17(3)4)19-6-7-21(28)18(5)12-19/h6-7,12,14-17,20,22,31H,8-11,13H2,1-5H3,(H2,30,32,33)/t20-,22+/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM365738
PNG
(6-{cis-3-Fluoro-4-[4-(4-fluoro-3-methyl-phenyl)-1-...)
Show SMILES CC(C)NCCn1cc(nc1[C@@H]1CCN(C[C@@H]1F)c1ncnc(N)c1C(C)C)-c1ccc(F)c(C)c1
Show InChI InChI=1S/C27H37F2N7/c1-16(2)24-25(30)32-15-33-27(24)35-10-8-20(22(29)13-35)26-34-23(14-36(26)11-9-31-17(3)4)19-6-7-21(28)18(5)12-19/h6-7,12,14-17,20,22,31H,8-11,13H2,1-5H3,(H2,30,32,33)/t20-,22+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
AKT: A TTP Mosquito liquid handling instrument was used to place 125 nl of the appropriate concentration of inhibitor in 100% DMSO (for a dose respon...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM365745
PNG
(4-Amino-6-{4-[1-(2-azetidin-1-yl-ethyl)-4-(4-fluor...)
Show SMILES Cc1cc(ccc1F)-c1cn(CCN2CCC2)c(n1)C1(O)CCN(CC1)c1ncnc(N)c1C#N
Show InChI InChI=1S/C25H29FN8O/c1-17-13-18(3-4-20(17)26)21-15-34(12-11-32-7-2-8-32)24(31-21)25(35)5-9-33(10-6-25)23-19(14-27)22(28)29-16-30-23/h3-4,13,15-16,35H,2,5-12H2,1H3,(H2,28,29,30)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
AKT: A TTP Mosquito liquid handling instrument was used to place 125 nl of the appropriate concentration of inhibitor in 100% DMSO (for a dose respon...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM365749
PNG
(4-Amino-6-{4-[1-(2-azetidin-1-yl-ethyl)-4-(4-fluor...)
Show SMILES Cc1cc(ccc1F)-c1cn(CCN2CCC2)c(n1)C1CCN(CC1(F)F)c1ncnc(N)c1C#N
Show InChI InChI=1/C25H27F3N8/c1-16-11-17(3-4-20(16)26)21-13-35(10-9-34-6-2-7-34)24(33-21)19-5-8-36(14-25(19,27)28)23-18(12-29)22(30)31-15-32-23/h3-4,11,13,15,19H,2,5-10,14H2,1H3,(H2,30,31,32)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM364975
PNG
(4-Amino-6-{3,4-cis-4-[1-(2-azetidin-1-yl-ethyl)-4-...)
Show SMILES C[C@H]1CN(CC[C@H]1c1nc(cn1CCN1CCC1)-c1ccc(F)c(c1)C(F)(F)F)c1ncnc(N)c1C(N)=O
Show InChI InChI=1/C26H30F4N8O/c1-15-12-37(25-21(23(32)39)22(31)33-14-34-25)8-5-17(15)24-35-20(13-38(24)10-9-36-6-2-7-36)16-3-4-19(27)18(11-16)26(28,29)30/h3-4,11,13-15,17H,2,5-10,12H2,1H3,(H2,32,39)(H2,31,33,34)/t15-,17+/s2
PDB

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



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM365750
PNG
(4-Amino-6-{4-[1-(2-azetidin-1-yl-ethyl)-4-(4-fluor...)
Show SMILES Cc1cc(ccc1F)-c1cn(CCN2CCC2)c(n1)C1CCN(CC1(F)F)c1ncnc(N)c1C(N)=O
Show InChI InChI=1/C25H29F3N8O/c1-15-11-16(3-4-18(15)26)19-12-35(10-9-34-6-2-7-34)23(33-19)17-5-8-36(13-25(17,27)28)24-20(22(30)37)21(29)31-14-32-24/h3-4,11-12,14,17H,2,5-10,13H2,1H3,(H2,30,37)(H2,29,31,32)
PDB

UniProtKB/SwissProt

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



Merck Patent GmbH

US Patent


Assay Description
AKT: A TTP Mosquito liquid handling instrument was used to place 125 nl of the appropriate concentration of inhibitor in 100% DMSO (for a dose respon...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM364978
PNG
(4-Amino-6-{3,4-trans-4-[1-(2-azetidin-1-yl-ethyl)-...)
Show SMILES NC(=O)c1c(N)ncnc1N1CC[C@H]([C@H](F)C1)c1nc(cn1CCN1CCC1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1/C25H27F5N8O/c26-17-3-2-14(10-16(17)25(28,29)30)19-12-38(9-8-36-5-1-6-36)23(35-19)15-4-7-37(11-18(15)27)24-20(22(32)39)21(31)33-13-34-24/h2-3,10,12-13,15,18H,1,4-9,11H2,(H2,32,39)(H2,31,33,34)/t15-,18-/s2
PDB

UniProtKB/SwissProt

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



Merck Patent GmbH

US Patent


Assay Description
AKT: A TTP Mosquito liquid handling instrument was used to place 125 nl of the appropriate concentration of inhibitor in 100% DMSO (for a dose respon...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM365018
PNG
(4-Amino-6-{(3S,4R)-4-[1-(2-azetidin-1-yl-ethyl)-4-...)
Show SMILES Cc1cc(ccc1F)-c1cn(CCN2CCC2)c(n1)[C@H]1CCN(C[C@H]1F)c1ncnc(N)c1C(N)=O
Show InChI InChI=1S/C25H30F2N8O/c1-15-11-16(3-4-18(15)26)20-13-35(10-9-33-6-2-7-33)24(32-20)17-5-8-34(12-19(17)27)25-21(23(29)36)22(28)30-14-31-25/h3-4,11,13-14,17,19H,2,5-10,12H2,1H3,(H2,29,36)(H2,28,30,31)/t17-,19+/m0/s1
PDB

UniProtKB/SwissProt

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



Merck Patent GmbH

US Patent


Assay Description
AKT: A TTP Mosquito liquid handling instrument was used to place 125 nl of the appropriate concentration of inhibitor in 100% DMSO (for a dose respon...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM365750
PNG
(4-Amino-6-{4-[1-(2-azetidin-1-yl-ethyl)-4-(4-fluor...)
Show SMILES Cc1cc(ccc1F)-c1cn(CCN2CCC2)c(n1)C1CCN(CC1(F)F)c1ncnc(N)c1C(N)=O
Show InChI InChI=1/C25H29F3N8O/c1-15-11-16(3-4-18(15)26)19-12-35(10-9-34-6-2-7-34)23(33-19)17-5-8-36(13-25(17,27)28)24-20(22(30)37)21(29)31-14-32-24/h3-4,11-12,14,17H,2,5-10,13H2,1H3,(H2,30,37)(H2,29,31,32)
PDB

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



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM364974
PNG
(4-Amino-6-{3,4-cis-4-[1-(2-azetidin-1-yl-ethyl)-4-...)
Show SMILES C[C@H]1CN(CC[C@H]1c1nc(cn1CCN1CCC1)-c1ccc(F)c(c1)C(F)(F)F)c1ncnc(N)c1C#N
Show InChI InChI=1/C26H28F4N8/c1-16-13-37(24-19(12-31)23(32)33-15-34-24)8-5-18(16)25-35-22(14-38(25)10-9-36-6-2-7-36)17-3-4-21(27)20(11-17)26(28,29)30/h3-4,11,14-16,18H,2,5-10,13H2,1H3,(H2,32,33,34)/t16-,18+/s2
PDB

UniProtKB/SwissProt

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



Merck Patent GmbH

US Patent


Assay Description
AKT: A TTP Mosquito liquid handling instrument was used to place 125 nl of the appropriate concentration of inhibitor in 100% DMSO (for a dose respon...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM364988
PNG
(4-Amino-6-{3,4-cis-4-[1-(2-dimethylamino-ethyl)-4-...)
Show SMILES CN(C)CCn1cc(nc1[C@@H]1CCN(C[C@@H]1F)c1ncnc(N)c1C(N)=O)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1/C24H27F5N8O/c1-35(2)7-8-37-11-18(13-3-4-16(25)15(9-13)24(27,28)29)34-22(37)14-5-6-36(10-17(14)26)23-19(21(31)38)20(30)32-12-33-23/h3-4,9,11-12,14,17H,5-8,10H2,1-2H3,(H2,31,38)(H2,30,32,33)/t14-,17+/s2
PDB

UniProtKB/SwissProt

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



Merck Patent GmbH

US Patent


Assay Description
AKT: A TTP Mosquito liquid handling instrument was used to place 125 nl of the appropriate concentration of inhibitor in 100% DMSO (for a dose respon...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM365735
PNG
(6-{(3S,4R)-4-[1-(2-Azetidin-1-yl-ethyl)-4-(4-fluor...)
Show SMILES CC(C)c1c(N)ncnc1N1CC[C@@H]([C@H](F)C1)c1nc(cn1CCN1CCC1)-c1ccc(F)c(C)c1
Show InChI InChI=1S/C27H35F2N7/c1-17(2)24-25(30)31-16-32-27(24)35-10-7-20(22(29)14-35)26-33-23(19-5-6-21(28)18(3)13-19)15-36(26)12-11-34-8-4-9-34/h5-6,13,15-17,20,22H,4,7-12,14H2,1-3H3,(H2,30,31,32)/t20-,22+/m0/s1
PDB

UniProtKB/SwissProt

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



Merck Patent GmbH

US Patent


Assay Description
AKT: A TTP Mosquito liquid handling instrument was used to place 125 nl of the appropriate concentration of inhibitor in 100% DMSO (for a dose respon...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM364976
PNG
(4-amino-6-{3,4-trans-4-[1-(2-azetidin-1-yl-ethyl)-...)
Show SMILES Nc1ncnc(N2CC[C@@H]([C@@H](F)C2)c2nc(cn2CCN2CCC2)-c2ccc(F)c(c2)C(F)(F)F)c1C#N
Show InChI InChI=1/C25H25F5N8/c26-19-3-2-15(10-18(19)25(28,29)30)21-13-38(9-8-36-5-1-6-36)24(35-21)16-4-7-37(12-20(16)27)23-17(11-31)22(32)33-14-34-23/h2-3,10,13-14,16,20H,1,4-9,12H2,(H2,32,33,34)/t16-,20-/s2
PDB

UniProtKB/SwissProt

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



Merck Patent GmbH

US Patent


Assay Description
AKT: A TTP Mosquito liquid handling instrument was used to place 125 nl of the appropriate concentration of inhibitor in 100% DMSO (for a dose respon...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM364993
PNG
(6-{cis-4-[1-(2-Dimethylamino-ethyl)-4-(4-fluoro-3-...)
Show SMILES CC(C)c1c(N)ncnc1N1CC[C@H]([C@@H](F)C1)c1nc(cn1CCN(C)C)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C26H32F5N7/c1-15(2)22-23(32)33-14-34-25(22)37-8-7-17(20(28)12-37)24-35-21(13-38(24)10-9-36(3)4)16-5-6-19(27)18(11-16)26(29,30)31/h5-6,11,13-15,17,20H,7-10,12H2,1-4H3,(H2,32,33,34)/t17-,20+/m1/s1
PDB

UniProtKB/SwissProt

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



Merck Patent GmbH

US Patent


Assay Description
AKT: A TTP Mosquito liquid handling instrument was used to place 125 nl of the appropriate concentration of inhibitor in 100% DMSO (for a dose respon...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM365016
PNG
(6-{cis-3-Fluoro-4-[4-(4-fluoro-3-trifluoromethyl-p...)
Show SMILES CC(C)c1c(N)ncnc1N1CC[C@H]([C@@H](F)C1)c1nc(c[nH]1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C22H23F5N6/c1-11(2)18-19(28)30-10-31-21(18)33-6-5-13(16(24)9-33)20-29-8-17(32-20)12-3-4-15(23)14(7-12)22(25,26)27/h3-4,7-8,10-11,13,16H,5-6,9H2,1-2H3,(H,29,32)(H2,28,30,31)/t13-,16+/m1/s1
PDB

UniProtKB/SwissProt

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



Merck Patent GmbH

US Patent


Assay Description
AKT: A TTP Mosquito liquid handling instrument was used to place 125 nl of the appropriate concentration of inhibitor in 100% DMSO (for a dose respon...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM365731
PNG
(5-Chloro-6-{(3S,4R)-4-[1-(2-dimethylamino-ethyl)-4...)
Show SMILES CN(C)CCn1cc(nc1[C@H]1CCN(C[C@H]1F)c1ncnc(N)c1Cl)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C23H25ClF5N7/c1-34(2)7-8-36-11-18(13-3-4-16(25)15(9-13)23(27,28)29)33-21(36)14-5-6-35(10-17(14)26)22-19(24)20(30)31-12-32-22/h3-4,9,11-12,14,17H,5-8,10H2,1-2H3,(H2,30,31,32)/t14-,17+/m0/s1
PDB

UniProtKB/SwissProt

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



Merck Patent GmbH

US Patent


Assay Description
AKT: A TTP Mosquito liquid handling instrument was used to place 125 nl of the appropriate concentration of inhibitor in 100% DMSO (for a dose respon...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM364975
PNG
(4-Amino-6-{3,4-cis-4-[1-(2-azetidin-1-yl-ethyl)-4-...)
Show SMILES C[C@H]1CN(CC[C@H]1c1nc(cn1CCN1CCC1)-c1ccc(F)c(c1)C(F)(F)F)c1ncnc(N)c1C(N)=O
Show InChI InChI=1/C26H30F4N8O/c1-15-12-37(25-21(23(32)39)22(31)33-14-34-25)8-5-17(15)24-35-20(13-38(24)10-9-36-6-2-7-36)16-3-4-19(27)18(11-16)26(28,29)30/h3-4,11,13-15,17H,2,5-10,12H2,1H3,(H2,32,39)(H2,31,33,34)/t15-,17+/s2
PDB

UniProtKB/SwissProt

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



Merck Patent GmbH

US Patent


Assay Description
AKT: A TTP Mosquito liquid handling instrument was used to place 125 nl of the appropriate concentration of inhibitor in 100% DMSO (for a dose respon...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM365007
PNG
(4-Amino-6-{(3R,4S)-4-[1-(2-dimethylamino-ethyl)-4-...)
Show SMILES CN(C)CCn1cc(nc1[C@@H]1CCN(C[C@@H]1F)c1ncnc(N)c1C(N)=O)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H27F5N8O/c1-35(2)7-8-37-11-18(13-3-4-16(25)15(9-13)24(27,28)29)34-22(37)14-5-6-36(10-17(14)26)23-19(21(31)38)20(30)32-12-33-23/h3-4,9,11-12,14,17H,5-8,10H2,1-2H3,(H2,31,38)(H2,30,32,33)/t14-,17+/m1/s1
PDB

UniProtKB/SwissProt

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



Merck Patent GmbH

US Patent


Assay Description
AKT: A TTP Mosquito liquid handling instrument was used to place 125 nl of the appropriate concentration of inhibitor in 100% DMSO (for a dose respon...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM365018
PNG
(4-Amino-6-{(3S,4R)-4-[1-(2-azetidin-1-yl-ethyl)-4-...)
Show SMILES Cc1cc(ccc1F)-c1cn(CCN2CCC2)c(n1)[C@H]1CCN(C[C@H]1F)c1ncnc(N)c1C(N)=O
Show InChI InChI=1S/C25H30F2N8O/c1-15-11-16(3-4-18(15)26)20-13-35(10-9-33-6-2-7-33)24(32-20)17-5-8-34(12-19(17)27)25-21(23(29)36)22(28)30-14-31-25/h3-4,11,13-14,17,19H,2,5-10,12H2,1H3,(H2,29,36)(H2,28,30,31)/t17-,19+/m0/s1
PDB

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



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM365732
PNG
(6-{(3S,4R)-4-[1-(2-Dimethylamino-ethyl)-4-(4-fluor...)
Show SMILES CC(C)c1c(N)ncnc1N1CC[C@@H]([C@H](F)C1)c1nc(cn1CCN(C)C)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C26H32F5N7/c1-15(2)22-23(32)33-14-34-25(22)37-8-7-17(20(28)12-37)24-35-21(13-38(24)10-9-36(3)4)16-5-6-19(27)18(11-16)26(29,30)31/h5-6,11,13-15,17,20H,7-10,12H2,1-4H3,(H2,32,33,34)/t17-,20+/m0/s1
PDB

UniProtKB/SwissProt

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



Merck Patent GmbH

US Patent


Assay Description
AKT: A TTP Mosquito liquid handling instrument was used to place 125 nl of the appropriate concentration of inhibitor in 100% DMSO (for a dose respon...


US Patent US9867826 (2018)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM364973
PNG
(4-amino-6-[(3S,4R)-4-[1-[2-(azetidin-1-yl)ethyl]-4...)
Show SMILES NC(=O)c1c(N)ncnc1N1CC[C@@H]([C@H](F)C1)c1nc(cn1CCN1CCC1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C25H27F5N8O/c26-17-3-2-14(10-16(17)25(28,29)30)19-12-38(9-8-36-5-1-6-36)23(35-19)15-4-7-37(11-18(15)27)24-20(22(32)39)21(31)33-13-34-24/h2-3,10,12-13,15,18H,1,4-9,11H2,(H2,32,39)(H2,31,33,34)/t15-,18+/m0/s1
PDB

UniProtKB/SwissProt

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



Merck Patent GmbH

US Patent


Assay Description
AKT: A TTP Mosquito liquid handling instrument was used to place 125 nl of the appropriate concentration of inhibitor in 100% DMSO (for a dose respon...


US Patent US9867826 (2018)

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