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Patent code US9260435

Compile Data Set for Download or QSAR
Found 16 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
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM218250
PNG
(US9260435, 8)
Show SMILES COc1nc(cn2c(c(nc12)-c1ccc(cc1)C1(N)CCC1)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C24H23N5O2/c1-31-23-22-28-19(15-8-10-17(11-9-15)24(26)12-5-13-24)20(16-6-3-2-4-7-16)29(22)14-18(27-23)21(25)30/h2-4,6-11,14H,5,12-13,26H2,1H3,(H2,25,30)
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n/an/a 14n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
His-tagged human recombinant kinase full-length Akt2 expressed in insect cells and activated by PDK1 was purchased from Invitrogen (part number PV 39...


Citation and Details
More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM218245
PNG
(US9260435, 3)
Show SMILES COc1nc(Br)cn2c(c(nc12)-c1ccc(cc1)C1(N)CCC1)-c1ccccc1
Show InChI InChI=1S/C23H21BrN4O/c1-29-22-21-27-19(15-8-10-17(11-9-15)23(25)12-5-13-23)20(16-6-3-2-4-7-16)28(21)14-18(24)26-22/h2-4,6-11,14H,5,12-13,25H2,1H3
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n/an/a 22n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
His-tagged human recombinant kinase full-length Akt1 expressed in insect cells was purchased form Invitrogen (part number PV 3599). As substrate for ...


Citation and Details
More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM218250
PNG
(US9260435, 8)
Show SMILES COc1nc(cn2c(c(nc12)-c1ccc(cc1)C1(N)CCC1)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C24H23N5O2/c1-31-23-22-28-19(15-8-10-17(11-9-15)24(26)12-5-13-24)20(16-6-3-2-4-7-16)29(22)14-18(27-23)21(25)30/h2-4,6-11,14H,5,12-13,26H2,1H3,(H2,25,30)
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n/an/a 29n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
His-tagged human recombinant kinase full-length Akt1 expressed in insect cells was purchased form Invitrogen (part number PV 3599). As substrate for ...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM218245
PNG
(US9260435, 3)
Show SMILES COc1nc(Br)cn2c(c(nc12)-c1ccc(cc1)C1(N)CCC1)-c1ccccc1
Show InChI InChI=1S/C23H21BrN4O/c1-29-22-21-27-19(15-8-10-17(11-9-15)23(25)12-5-13-23)20(16-6-3-2-4-7-16)28(21)14-18(24)26-22/h2-4,6-11,14H,5,12-13,25H2,1H3
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n/an/a 33n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
His-tagged human recombinant kinase full-length Akt2 expressed in insect cells and activated by PDK1 was purchased from Invitrogen (part number PV 39...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM218246
PNG
(US9260435, 4)
Show SMILES CCc1cn2c(c(nc2c(OC)n1)-c1ccc(cc1)C1(N)CCC1)-c1ccccc1
Show InChI InChI=1S/C25H26N4O/c1-3-20-16-29-22(18-8-5-4-6-9-18)21(28-23(29)24(27-20)30-2)17-10-12-19(13-11-17)25(26)14-7-15-25/h4-6,8-13,16H,3,7,14-15,26H2,1-2H3
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n/an/a 34n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
His-tagged human recombinant kinase full-length Akt2 expressed in insect cells and activated by PDK1 was purchased from Invitrogen (part number PV 39...


Citation and Details
More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM218244
PNG
(US9260435, 2)
Show SMILES Cc1cn2c(c(nc2c(C)n1)-c1ccc(cc1)C1(N)CCC1)-c1ccccc1
Show InChI InChI=1S/C24H24N4/c1-16-15-28-22(19-7-4-3-5-8-19)21(27-23(28)17(2)26-16)18-9-11-20(12-10-18)24(25)13-6-14-24/h3-5,7-12,15H,6,13-14,25H2,1-2H3
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n/an/a 61n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
His-tagged human recombinant kinase full-length Akt1 expressed in insect cells was purchased form Invitrogen (part number PV 3599). As substrate for ...


Citation and Details
More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM218249
PNG
(US9260435, 7)
Show SMILES COC(=O)c1cn2c(c(nc2c(OC)n1)-c1ccc(cc1)C1(N)CCC1)-c1ccccc1
Show InChI InChI=1S/C25H24N4O3/c1-31-23-22-28-20(16-9-11-18(12-10-16)25(26)13-6-14-25)21(17-7-4-3-5-8-17)29(22)15-19(27-23)24(30)32-2/h3-5,7-12,15H,6,13-14,26H2,1-2H3
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n/an/a 64n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
His-tagged human recombinant kinase full-length Akt1 expressed in insect cells was purchased form Invitrogen (part number PV 3599). As substrate for ...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM218249
PNG
(US9260435, 7)
Show SMILES COC(=O)c1cn2c(c(nc2c(OC)n1)-c1ccc(cc1)C1(N)CCC1)-c1ccccc1
Show InChI InChI=1S/C25H24N4O3/c1-31-23-22-28-20(16-9-11-18(12-10-16)25(26)13-6-14-25)21(17-7-4-3-5-8-17)29(22)15-19(27-23)24(30)32-2/h3-5,7-12,15H,6,13-14,26H2,1-2H3
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n/an/a 86n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
His-tagged human recombinant kinase full-length Akt2 expressed in insect cells and activated by PDK1 was purchased from Invitrogen (part number PV 39...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM218248
PNG
(US9260435, 6)
Show SMILES NC(=O)c1cn2c(c(nc2cn1)-c1ccc(cc1)C1(N)CCC1)-c1ccccc1
Show InChI InChI=1S/C23H21N5O/c24-22(29)18-14-28-19(13-26-18)27-20(21(28)16-5-2-1-3-6-16)15-7-9-17(10-8-15)23(25)11-4-12-23/h1-3,5-10,13-14H,4,11-12,25H2,(H2,24,29)
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n/an/a 97n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
His-tagged human recombinant kinase full-length Akt2 expressed in insect cells and activated by PDK1 was purchased from Invitrogen (part number PV 39...


Citation and Details
More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM218247
PNG
(US9260435, 5)
Show SMILES CCOC(=O)c1cn2c(c(nc2cn1)-c1ccc(cc1)C1(N)CCC1)-c1ccccc1
Show InChI InChI=1S/C25H24N4O2/c1-2-31-24(30)20-16-29-21(15-27-20)28-22(23(29)18-7-4-3-5-8-18)17-9-11-19(12-10-17)25(26)13-6-14-25/h3-5,7-12,15-16H,2,6,13-14,26H2,1H3
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
His-tagged human recombinant kinase full-length Akt1 expressed in insect cells was purchased form Invitrogen (part number PV 3599). As substrate for ...


Citation and Details
More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM218248
PNG
(US9260435, 6)
Show SMILES NC(=O)c1cn2c(c(nc2cn1)-c1ccc(cc1)C1(N)CCC1)-c1ccccc1
Show InChI InChI=1S/C23H21N5O/c24-22(29)18-14-28-19(13-26-18)27-20(21(28)16-5-2-1-3-6-16)15-7-9-17(10-8-15)23(25)11-4-12-23/h1-3,5-10,13-14H,4,11-12,25H2,(H2,24,29)
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n/an/a 110n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
His-tagged human recombinant kinase full-length Akt1 expressed in insect cells was purchased form Invitrogen (part number PV 3599). As substrate for ...


Citation and Details
More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM218246
PNG
(US9260435, 4)
Show SMILES CCc1cn2c(c(nc2c(OC)n1)-c1ccc(cc1)C1(N)CCC1)-c1ccccc1
Show InChI InChI=1S/C25H26N4O/c1-3-20-16-29-22(18-8-5-4-6-9-18)21(28-23(29)24(27-20)30-2)17-10-12-19(13-11-17)25(26)14-7-15-25/h4-6,8-13,16H,3,7,14-15,26H2,1-2H3
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
His-tagged human recombinant kinase full-length Akt1 expressed in insect cells was purchased form Invitrogen (part number PV 3599). As substrate for ...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM218247
PNG
(US9260435, 5)
Show SMILES CCOC(=O)c1cn2c(c(nc2cn1)-c1ccc(cc1)C1(N)CCC1)-c1ccccc1
Show InChI InChI=1S/C25H24N4O2/c1-2-31-24(30)20-16-29-21(15-27-20)28-22(23(29)18-7-4-3-5-8-18)17-9-11-19(12-10-17)25(26)13-6-14-25/h3-5,7-12,15-16H,2,6,13-14,26H2,1H3
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n/an/a 130n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
His-tagged human recombinant kinase full-length Akt2 expressed in insect cells and activated by PDK1 was purchased from Invitrogen (part number PV 39...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM218244
PNG
(US9260435, 2)
Show SMILES Cc1cn2c(c(nc2c(C)n1)-c1ccc(cc1)C1(N)CCC1)-c1ccccc1
Show InChI InChI=1S/C24H24N4/c1-16-15-28-22(19-7-4-3-5-8-19)21(27-23(28)17(2)26-16)18-9-11-20(12-10-18)24(25)13-6-14-24/h3-5,7-12,15H,6,13-14,25H2,1-2H3
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n/an/a 220n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
His-tagged human recombinant kinase full-length Akt2 expressed in insect cells and activated by PDK1 was purchased from Invitrogen (part number PV 39...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM218243
PNG
(US9260435, 1)
Show SMILES NC1(CCC1)c1ccc(cc1)-c1nc2c(O)nccn2c1-c1ccccc1
Show InChI InChI=1S/C22H20N4O/c23-22(11-4-12-22)17-9-7-15(8-10-17)18-19(16-5-2-1-3-6-16)26-14-13-24-21(27)20(26)25-18/h1-3,5-10,13-14H,4,11-12,23H2,(H,24,27)
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n/an/a 970n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
His-tagged human recombinant kinase full-length Akt2 expressed in insect cells and activated by PDK1 was purchased from Invitrogen (part number PV 39...


Citation and Details
More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM218243
PNG
(US9260435, 1)
Show SMILES NC1(CCC1)c1ccc(cc1)-c1nc2c(O)nccn2c1-c1ccccc1
Show InChI InChI=1S/C22H20N4O/c23-22(11-4-12-22)17-9-7-15(8-10-17)18-19(16-5-2-1-3-6-16)26-14-13-24-21(27)20(26)25-18/h1-3,5-10,13-14H,4,11-12,23H2,(H,24,27)
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n/an/a 1.60E+3n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
His-tagged human recombinant kinase full-length Akt1 expressed in insect cells was purchased form Invitrogen (part number PV 3599). As substrate for ...


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