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Compile Data Set for Download or QSAR

Found 3869 hits of ic50 for UniProtKB: P31749   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM182489
PNG
(US9145392, 190)
Show SMILES Cc1cc(ccc1F)-c1cn(CCN2CCC2)c(n1)C1CCN(CC1)c1ncnc(N)c1Br
Show InChI InChI=1S/C24H29BrFN7/c1-16-13-18(3-4-19(16)26)20-14-33(12-11-31-7-2-8-31)23(30-20)17-5-9-32(10-6-17)24-21(25)22(27)28-15-29-24/h3-4,13-15,17H,2,5-12H2,1H3,(H2,27,28,29)
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US Patent
n/an/a 0.100n/an/an/an/a7.5n/a



Merck Patent GmbH

US Patent


Assay Description
A TTP Mosquito liquid handling instrument is used to place 125n1 of the appropriate concentration of inhibitor in 100% DMSO (for a dose response curv...


US Patent US9145392 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86D2
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM182480
PNG
(US9145392, 181)
Show SMILES CC(C)c1cc(ccn1)-c1cn(CCN2CCC2)c(n1)C1CCN(CC1)c1ncnc(N)c1Br
Show InChI InChI=1S/C25H33BrN8/c1-17(2)20-14-19(4-7-28-20)21-15-34(13-12-32-8-3-9-32)24(31-21)18-5-10-33(11-6-18)25-22(26)23(27)29-16-30-25/h4,7,14-18H,3,5-6,8-13H2,1-2H3,(H2,27,29,30)
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US Patent
n/an/a 0.150n/an/an/an/a7.5n/a



Merck Patent GmbH

US Patent


Assay Description
A TTP Mosquito liquid handling instrument is used to place 125n1 of the appropriate concentration of inhibitor in 100% DMSO (for a dose response curv...


US Patent US9145392 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86D2
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM15131
PNG
(5-indazolyl pyridine 3 | 5-{5-[(2S)-2-amino-3-(1H-...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C24H23N5O/c1-15-22-10-16(6-7-24(22)29-28-15)17-9-20(13-26-11-17)30-14-19(25)8-18-12-27-23-5-3-2-4-21(18)23/h2-7,9-13,19,27H,8,14,25H2,1H3,(H,28,29)/t19-/m0/s1
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Article
PubMed
n/an/a 0.160n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of Akt


Eur J Med Chem 44: 4090-7 (2009)


Article DOI: 10.1016/j.ejmech.2009.04.050
BindingDB Entry DOI: 10.7270/Q2GT5N74
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50298443
PNG
(5-(5-((S)-2-amino-3-(1H-indol-3-yl)propoxy)pyridin...)
Show SMILES N[C@H](COc1cncc(c1)-c1ccc2NC(=O)C(c3ccco3)c2c1)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C28H24N4O3/c29-20(10-19-14-31-24-5-2-1-4-22(19)24)16-35-21-11-18(13-30-15-21)17-7-8-25-23(12-17)27(28(33)32-25)26-6-3-9-34-26/h1-9,11-15,20,27,31H,10,16,29H2,(H,32,33)/t20-,27?/m0/s1
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PubMed
n/an/a 0.170n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of Akt


Eur J Med Chem 44: 4090-7 (2009)


Article DOI: 10.1016/j.ejmech.2009.04.050
BindingDB Entry DOI: 10.7270/Q2GT5N74
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM430066
PNG
(US10538528, Compound 38)
Show SMILES CN(C)CCNc1ccc(nc1C1CCN(CC1)c1ncnc2NC(=O)C(C)(C)c12)-c1nnc(s1)C(F)F
Show InChI InChI=1S/C25H31F2N9OS/c1-25(2)17-20(32-24(25)37)29-13-30-21(17)36-10-7-14(8-11-36)18-15(28-9-12-35(3)4)5-6-16(31-18)22-33-34-23(38-22)19(26)27/h5-6,13-14,19,28H,7-12H2,1-4H3,(H,29,30,32,37)
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US Patent
n/an/a 0.300n/an/an/an/an/an/a



Taiho Pahrmaceutical Co., Ltd.

US Patent


Assay Description
S6K1: Inhibitory activity of the compound according to the present invention on S6K1 kinase activity in vitro was assayed using the QSS Assist FP ass...


US Patent US10538528 (2020)

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


(Homo sapiens (Human))
BDBM430052
PNG
(US10538528, Compound 39)
Show SMILES CC(C)NCCNc1ccc(nc1C1CCN(CC1)c1ncnc2NC(=O)C(C)(C)c12)-c1nnc(s1)C(F)F
Show InChI InChI=1S/C26H33F2N9OS/c1-14(2)29-9-10-30-16-5-6-17(23-35-36-24(39-23)20(27)28)33-19(16)15-7-11-37(12-8-15)22-18-21(31-13-32-22)34-25(38)26(18,3)4/h5-6,13-15,20,29-30H,7-12H2,1-4H3,(H,31,32,34,38)
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US Patent
n/an/a 0.300n/an/an/an/an/an/a



Taiho Pahrmaceutical Co., Ltd.

US Patent


Assay Description
S6K1: Inhibitory activity of the compound according to the present invention on S6K1 kinase activity in vitro was assayed using the QSS Assist FP ass...


US Patent US10538528 (2020)

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


(Homo sapiens (Human))
BDBM430053
PNG
(US10538528, Compound 40)
Show SMILES CC(C)(C)NCCNc1ccc(nc1C1CCN(CC1)c1ncnc2NC(=O)C(C)(C)c12)-c1nnc(s1)C1CC1
Show InChI InChI=1S/C29H39N9OS/c1-28(2,3)33-13-12-30-19-8-9-20(26-37-36-25(40-26)18-6-7-18)34-22(19)17-10-14-38(15-11-17)24-21-23(31-16-32-24)35-27(39)29(21,4)5/h8-9,16-18,30,33H,6-7,10-15H2,1-5H3,(H,31,32,35,39)
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n/an/a 0.300n/an/an/an/an/an/a



Taiho Pahrmaceutical Co., Ltd.

US Patent


Assay Description
S6K1: Inhibitory activity of the compound according to the present invention on S6K1 kinase activity in vitro was assayed using the QSS Assist FP ass...


US Patent US10538528 (2020)

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


(Homo sapiens (Human))
BDBM430054
PNG
(US10538528, Compound 41)
Show SMILES CC(C)(C)NCCNc1ccc(nc1C1CCN(CC1)c1ncnc2NC(=O)C(C)(C)c12)-c1noc(n1)C(F)F
Show InChI InChI=1S/C27H35F2N9O2/c1-26(2,3)33-11-10-30-16-6-7-17(21-35-24(20(28)29)40-37-21)34-19(16)15-8-12-38(13-9-15)23-18-22(31-14-32-23)36-25(39)27(18,4)5/h6-7,14-15,20,30,33H,8-13H2,1-5H3,(H,31,32,36,39)
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n/an/a 0.300n/an/an/an/an/an/a



Taiho Pahrmaceutical Co., Ltd.

US Patent


Assay Description
S6K1: Inhibitory activity of the compound according to the present invention on S6K1 kinase activity in vitro was assayed using the QSS Assist FP ass...


US Patent US10538528 (2020)

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


(Homo sapiens (Human))
BDBM182699
PNG
(US9145392, 400)
Show SMILES CCc1c(N)ncnc1N1CCC(CC1)c1nc(cn1CC1CN(C)C1)-c1ccc(F)c(C)c1
Show InChI InChI=1S/C26H34FN7/c1-4-21-24(28)29-16-30-26(21)33-9-7-19(8-10-33)25-31-23(20-5-6-22(27)17(2)11-20)15-34(25)14-18-12-32(3)13-18/h5-6,11,15-16,18-19H,4,7-10,12-14H2,1-3H3,(H2,28,29,30)
PDB

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US Patent
n/an/a 0.300n/an/an/an/a7.5n/a



Merck Patent GmbH

US Patent


Assay Description
A TTP Mosquito liquid handling instrument is used to place 125n1 of the appropriate concentration of inhibitor in 100% DMSO (for a dose response curv...


US Patent US9145392 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86D2
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM430058
PNG
(US10538528, Compound 2)
Show SMILES CC1(C)C(=O)Nc2ncnc(N3CCC(CC3)c3nc(ccc3NCCN3CCCC3)-c3ccc(F)nc3)c12
Show InChI InChI=1S/C29H35FN8O/c1-29(2)24-26(36-28(29)39)33-18-34-27(24)38-14-9-19(10-15-38)25-22(31-11-16-37-12-3-4-13-37)7-6-21(35-25)20-5-8-23(30)32-17-20/h5-8,17-19,31H,3-4,9-16H2,1-2H3,(H,33,34,36,39)
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n/an/a 0.300n/an/an/an/an/an/a



Taiho Pahrmaceutical Co., Ltd.

US Patent


Assay Description
S6K1: Inhibitory activity of the compound according to the present invention on S6K1 kinase activity in vitro was assayed using the QSS Assist FP ass...


US Patent US10538528 (2020)

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


(Homo sapiens (Human))
BDBM430029
PNG
(US10538528, Compound 5)
Show SMILES CC(C)NCCNc1ccc(nc1C1CCN(CC1)c1ncnc2NC(=O)C(C)(C)c12)-c1cnc(F)c(F)c1
Show InChI InChI=1S/C28H34F2N8O/c1-16(2)31-9-10-32-21-6-5-20(18-13-19(29)24(30)33-14-18)36-23(21)17-7-11-38(12-8-17)26-22-25(34-15-35-26)37-27(39)28(22,3)4/h5-6,13-17,31-32H,7-12H2,1-4H3,(H,34,35,37,39)
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n/an/a 0.300n/an/an/an/an/an/a



Taiho Pahrmaceutical Co., Ltd.

US Patent


Assay Description
S6K1: Inhibitory activity of the compound according to the present invention on S6K1 kinase activity in vitro was assayed using the QSS Assist FP ass...


US Patent US10538528 (2020)

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


(Homo sapiens (Human))
BDBM430060
PNG
(US10538528, Compound 7)
Show SMILES COc1cncc(c1)-c1ccc(NCCN2CCCC2)c(n1)C1CCN(CC1)c1ncnc2NC(=O)C(C)(C)c12
Show InChI InChI=1S/C30H38N8O2/c1-30(2)25-27(36-29(30)39)33-19-34-28(25)38-13-8-20(9-14-38)26-24(32-10-15-37-11-4-5-12-37)7-6-23(35-26)21-16-22(40-3)18-31-17-21/h6-7,16-20,32H,4-5,8-15H2,1-3H3,(H,33,34,36,39)
PDB

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n/an/a 0.300n/an/an/an/an/an/a



Taiho Pahrmaceutical Co., Ltd.

US Patent


Assay Description
S6K1: Inhibitory activity of the compound according to the present invention on S6K1 kinase activity in vitro was assayed using the QSS Assist FP ass...


US Patent US10538528 (2020)

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


(Homo sapiens (Human))
BDBM430061
PNG
(US10538528, Compound 8)
Show SMILES CC1(C)C(=O)Nc2ncnc(N3CCC(CC3)c3nc(ccc3NCCN3CCCC3)-c3cncc(F)c3)c12
Show InChI InChI=1S/C29H35FN8O/c1-29(2)24-26(36-28(29)39)33-18-34-27(24)38-12-7-19(8-13-38)25-23(32-9-14-37-10-3-4-11-37)6-5-22(35-25)20-15-21(30)17-31-16-20/h5-6,15-19,32H,3-4,7-14H2,1-2H3,(H,33,34,36,39)
PDB

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n/an/a 0.300n/an/an/an/an/an/a



Taiho Pahrmaceutical Co., Ltd.

US Patent


Assay Description
S6K1: Inhibitory activity of the compound according to the present invention on S6K1 kinase activity in vitro was assayed using the QSS Assist FP ass...


US Patent US10538528 (2020)

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


(Homo sapiens (Human))
BDBM430062
PNG
(US10538528, Compound 9)
Show SMILES CN(C)CCNc1ccc(nc1C1CCN(CC1)c1ncnc2NC(=O)C(C)(C)c12)-c1cc(Cl)nn1C
Show InChI InChI=1S/C26H34ClN9O/c1-26(2)21-23(32-25(26)37)29-15-30-24(21)36-11-8-16(9-12-36)22-18(28-10-13-34(3)4)7-6-17(31-22)19-14-20(27)33-35(19)5/h6-7,14-16,28H,8-13H2,1-5H3,(H,29,30,32,37)
PDB

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n/an/a 0.300n/an/an/an/an/an/a



Taiho Pahrmaceutical Co., Ltd.

US Patent


Assay Description
S6K1: Inhibitory activity of the compound according to the present invention on S6K1 kinase activity in vitro was assayed using the QSS Assist FP ass...


US Patent US10538528 (2020)

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


(Homo sapiens (Human))
BDBM430063
PNG
(US10538528, Compound 10)
Show SMILES CC(C)NCCNc1ccc(nc1C1CCN(CC1)c1ncnc2NC(=O)C(C)(C)c12)-c1cc(nn1C)C(F)(F)F
Show InChI InChI=1S/C28H36F3N9O/c1-16(2)32-10-11-33-19-7-6-18(20-14-21(28(29,30)31)38-39(20)5)36-23(19)17-8-12-40(13-9-17)25-22-24(34-15-35-25)37-26(41)27(22,3)4/h6-7,14-17,32-33H,8-13H2,1-5H3,(H,34,35,37,41)
PDB

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n/an/a 0.300n/an/an/an/an/an/a



Taiho Pahrmaceutical Co., Ltd.

US Patent


Assay Description
S6K1: Inhibitory activity of the compound according to the present invention on S6K1 kinase activity in vitro was assayed using the QSS Assist FP ass...


US Patent US10538528 (2020)

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


(Homo sapiens (Human))
BDBM430030
PNG
(US10538528, Compound 11)
Show SMILES CC(C)NCCNc1ccc(nc1C1CCN(CC1)c1ncnc2NC(=O)C(C)(C)c12)-c1cc(Cl)nn1C
Show InChI InChI=1S/C27H36ClN9O/c1-16(2)29-10-11-30-19-7-6-18(20-14-21(28)35-36(20)5)33-23(19)17-8-12-37(13-9-17)25-22-24(31-15-32-25)34-26(38)27(22,3)4/h6-7,14-17,29-30H,8-13H2,1-5H3,(H,31,32,34,38)
PDB

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n/an/a 0.300n/an/an/an/an/an/a



Taiho Pahrmaceutical Co., Ltd.

US Patent


Assay Description
S6K1: Inhibitory activity of the compound according to the present invention on S6K1 kinase activity in vitro was assayed using the QSS Assist FP ass...


US Patent US10538528 (2020)

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


(Homo sapiens (Human))
BDBM430064
PNG
(US10538528, Compound 12)
Show SMILES CCNCCNc1ccc(nc1C1CCN(CC1)c1ncnc2NC(=O)C(C)(C)c12)-c1cncc(F)c1
Show InChI InChI=1S/C27H33FN8O/c1-4-29-9-10-31-21-6-5-20(18-13-19(28)15-30-14-18)34-23(21)17-7-11-36(12-8-17)25-22-24(32-16-33-25)35-26(37)27(22,2)3/h5-6,13-17,29,31H,4,7-12H2,1-3H3,(H,32,33,35,37)
PDB

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n/an/a 0.300n/an/an/an/an/an/a



Taiho Pahrmaceutical Co., Ltd.

US Patent


Assay Description
S6K1: Inhibitory activity of the compound according to the present invention on S6K1 kinase activity in vitro was assayed using the QSS Assist FP ass...


US Patent US10538528 (2020)

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


(Homo sapiens (Human))
BDBM430070
PNG
(US10538528, Compound 28)
Show SMILES CC(C)NCCNc1cc(F)c(nc1C1CCN(CC1)c1ncnc2NC(=O)C(C)(C)c12)-c1cncc(F)c1
Show InChI InChI=1S/C28H34F2N8O/c1-16(2)32-7-8-33-21-12-20(30)23(18-11-19(29)14-31-13-18)36-24(21)17-5-9-38(10-6-17)26-22-25(34-15-35-26)37-27(39)28(22,3)4/h11-17,32-33H,5-10H2,1-4H3,(H,34,35,37,39)
PDB

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n/an/a 0.300n/an/an/an/an/an/a



Taiho Pahrmaceutical Co., Ltd.

US Patent


Assay Description
S6K1: Inhibitory activity of the compound according to the present invention on S6K1 kinase activity in vitro was assayed using the QSS Assist FP ass...


US Patent US10538528 (2020)

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


(Homo sapiens (Human))
BDBM430051
PNG
(US10538528, Compound 37)
Show SMILES CC(C)(C)NCCNc1ccc(nc1C1CCN(CC1)c1ncnc2NC(=O)C(C)(C)c12)-c1nnc(s1)C(F)F
Show InChI InChI=1S/C27H35F2N9OS/c1-26(2,3)33-11-10-30-16-6-7-17(23-36-37-24(40-23)20(28)29)34-19(16)15-8-12-38(13-9-15)22-18-21(31-14-32-22)35-25(39)27(18,4)5/h6-7,14-15,20,30,33H,8-13H2,1-5H3,(H,31,32,35,39)
PDB

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antibodypedia
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US Patent
n/an/a 0.300n/an/an/an/an/an/a



Taiho Pahrmaceutical Co., Ltd.

US Patent


Assay Description
S6K1: Inhibitory activity of the compound according to the present invention on S6K1 kinase activity in vitro was assayed using the QSS Assist FP ass...


US Patent US10538528 (2020)

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


(Homo sapiens (Human))
BDBM9048
PNG
(US8536193, 10-5)
Show SMILES N[C@]1(C[C@](O)(C1)C1CC1)c1ccc(cc1)-c1nc2ccc3nnc(C(F)F)n3c2cc1-c1ccccc1
Show InChI InChI=1S/C29H25F2N5O/c30-26(31)27-35-34-24-13-12-22-23(36(24)27)14-21(17-4-2-1-3-5-17)25(33-22)18-6-8-19(9-7-18)28(32)15-29(37,16-28)20-10-11-20/h1-9,12-14,20,26,37H,10-11,15-16,32H2/t28-,29-
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n/an/a 0.340n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Activated Akt isoforms and pleckstrin homology domain deletion constructs were assayed utilizing a GSK-derived biotinylated peptide substrate. The e...


US Patent US8536193 (2013)


BindingDB Entry DOI: 10.7270/Q2NK3CP1
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM16532
PNG
((2S)-1-(1H-indol-3-yl)-3-{[5-(3-methyl-1H-pyrazolo...)
Show SMILES Cc1n[nH]c2cnc(cc12)-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C23H22N6O/c1-14-20-8-22(27-12-23(20)29-28-14)16-7-18(11-25-9-16)30-13-17(24)6-15-10-26-21-5-3-2-4-19(15)21/h2-5,7-12,17,26H,6,13,24H2,1H3,(H,28,29)/t17-/m0/s1
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PubMed
n/an/a 0.340n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of Akt


Eur J Med Chem 44: 4090-7 (2009)


Article DOI: 10.1016/j.ejmech.2009.04.050
BindingDB Entry DOI: 10.7270/Q2GT5N74
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM102310
PNG
(US8536193, 10-4)
Show SMILES C[C@@]1(O)C[C@@](N)(C1)c1ccc(cc1)-c1nc2ccc3nnc(C(F)F)n3c2cc1-c1ccccc1
Show InChI InChI=1S/C27H23F2N5O/c1-26(35)14-27(30,15-26)18-9-7-17(8-10-18)23-19(16-5-3-2-4-6-16)13-21-20(31-23)11-12-22-32-33-25(24(28)29)34(21)22/h2-13,24,35H,14-15,30H2,1H3/t26-,27-
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n/an/a 0.380n/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Activated Akt isoforms and pleckstrin homology domain deletion constructs were assayed utilizing a GSK-derived biotinylated peptide substrate. The e...


US Patent US8536193 (2013)


BindingDB Entry DOI: 10.7270/Q2NK3CP1
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM430057
PNG
(US10538528, Compound 44)
Show SMILES CC1(C)C(=O)Nc2ncnc(N3CCC(CC3)c3nc(ccc3NCCN3CCCC3)-c3nc(no3)C(F)(F)F)c12
Show InChI InChI=1S/C27H32F3N9O2/c1-26(2)19-21(35-25(26)40)32-15-33-22(19)39-12-7-16(8-13-39)20-17(31-9-14-38-10-3-4-11-38)5-6-18(34-20)23-36-24(37-41-23)27(28,29)30/h5-6,15-16,31H,3-4,7-14H2,1-2H3,(H,32,33,35,40)
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n/an/a 0.400n/an/an/an/an/an/a



Taiho Pahrmaceutical Co., Ltd.

US Patent


Assay Description
S6K1: Inhibitory activity of the compound according to the present invention on S6K1 kinase activity in vitro was assayed using the QSS Assist FP ass...


US Patent US10538528 (2020)

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


(Homo sapiens (Human))
BDBM430072
PNG
(US10538528, Compound 36)
Show SMILES Cc1nnc(s1)-c1ccc(NCCN2CCCC2)c(n1)C1CCN(CC1)c1ncnc2NC(=O)C(C)(C)c12
Show InChI InChI=1S/C27H35N9OS/c1-17-33-34-25(38-17)20-7-6-19(28-10-15-35-11-4-5-12-35)22(31-20)18-8-13-36(14-9-18)24-21-23(29-16-30-24)32-26(37)27(21,2)3/h6-7,16,18,28H,4-5,8-15H2,1-3H3,(H,29,30,32,37)
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n/an/a 0.400n/an/an/an/an/an/a



Taiho Pahrmaceutical Co., Ltd.

US Patent


Assay Description
S6K1: Inhibitory activity of the compound according to the present invention on S6K1 kinase activity in vitro was assayed using the QSS Assist FP ass...


US Patent US10538528 (2020)

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


(Homo sapiens (Human))
BDBM430056
PNG
(US10538528, Compound 43)
Show SMILES CC(C)(C)NCCNc1ccc(nc1C1CCN(CC1)c1ncnc2NC(=O)C(C)(C)c12)-c1nc(no1)C(F)(F)F
Show InChI InChI=1S/C27H34F3N9O2/c1-25(2,3)34-11-10-31-16-6-7-17(22-37-23(38-41-22)27(28,29)30)35-19(16)15-8-12-39(13-9-15)21-18-20(32-14-33-21)36-24(40)26(18,4)5/h6-7,14-15,31,34H,8-13H2,1-5H3,(H,32,33,36,40)
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n/an/a 0.400n/an/an/an/an/an/a



Taiho Pahrmaceutical Co., Ltd.

US Patent


Assay Description
S6K1: Inhibitory activity of the compound according to the present invention on S6K1 kinase activity in vitro was assayed using the QSS Assist FP ass...


US Patent US10538528 (2020)

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


(Homo sapiens (Human))
BDBM430065
PNG
(US10538528, Compound 35)
Show SMILES CC1(C)C(=O)Nc2ncnc(N3CCC(CC3)c3nc(ccc3NCC3CCCN3)-c3nnc(o3)C(F)(F)F)c12
Show InChI InChI=1S/C26H30F3N9O2/c1-25(2)18-20(35-23(25)39)32-13-33-21(18)38-10-7-14(8-11-38)19-16(31-12-15-4-3-9-30-15)5-6-17(34-19)22-36-37-24(40-22)26(27,28)29/h5-6,13-15,30-31H,3-4,7-12H2,1-2H3,(H,32,33,35,39)
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n/an/a 0.400n/an/an/an/an/an/a



Taiho Pahrmaceutical Co., Ltd.

US Patent


Assay Description
S6K1: Inhibitory activity of the compound according to the present invention on S6K1 kinase activity in vitro was assayed using the QSS Assist FP ass...


US Patent US10538528 (2020)

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


(Homo sapiens (Human))
BDBM430050
PNG
(US10538528, Compound 34)
Show SMILES CN(CCNc1ccc(nc1C1CCN(CC1)c1ncnc2NC(=O)C(C)(C)c12)-c1nnc(o1)C(F)(F)F)C(C)(C)C
Show InChI InChI=1S/C28H36F3N9O2/c1-26(2,3)39(6)14-11-32-17-7-8-18(23-37-38-25(42-23)28(29,30)31)35-20(17)16-9-12-40(13-10-16)22-19-21(33-15-34-22)36-24(41)27(19,4)5/h7-8,15-16,32H,9-14H2,1-6H3,(H,33,34,36,41)
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n/an/a 0.400n/an/an/an/an/an/a



Taiho Pahrmaceutical Co., Ltd.

US Patent


Assay Description
S6K1: Inhibitory activity of the compound according to the present invention on S6K1 kinase activity in vitro was assayed using the QSS Assist FP ass...


US Patent US10538528 (2020)

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


(Homo sapiens (Human))
BDBM430047
PNG
(US10538528, Compound 32)
Show SMILES CC(C)(C)NCCNc1ccc(nc1C1CCN(CC1)c1ncnc2NC(=O)C(C)(C)c12)-c1nnc(o1)C(F)(F)F
Show InChI InChI=1S/C27H34F3N9O2/c1-25(2,3)34-11-10-31-16-6-7-17(22-37-38-24(41-22)27(28,29)30)35-19(16)15-8-12-39(13-9-15)21-18-20(32-14-33-21)36-23(40)26(18,4)5/h6-7,14-15,31,34H,8-13H2,1-5H3,(H,32,33,36,40)
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n/an/a 0.400n/an/an/an/an/an/a



Taiho Pahrmaceutical Co., Ltd.

US Patent


Assay Description
S6K1: Inhibitory activity of the compound according to the present invention on S6K1 kinase activity in vitro was assayed using the QSS Assist FP ass...


US Patent US10538528 (2020)

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


(Homo sapiens (Human))
BDBM430041
PNG
(US10538528, Compound 23)
Show SMILES CC1C(=O)Nc2ncnc(N3CCC(CC3)c3nc(ccc3NCCN(C)C)-c3ccsc3)c12
Show InChI InChI=1S/C25H31N7OS/c1-16-21-23(30-25(16)33)27-15-28-24(21)32-10-6-17(7-11-32)22-20(26-9-12-31(2)3)5-4-19(29-22)18-8-13-34-14-18/h4-5,8,13-17,26H,6-7,9-12H2,1-3H3,(H,27,28,30,33)
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n/an/a 0.400n/an/an/an/an/an/a



Taiho Pahrmaceutical Co., Ltd.

US Patent


Assay Description
S6K1: Inhibitory activity of the compound according to the present invention on S6K1 kinase activity in vitro was assayed using the QSS Assist FP ass...


US Patent US10538528 (2020)

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


(Homo sapiens (Human))
BDBM430031
PNG
(US10538528, Compound 13)
Show SMILES CC1C(=O)Nc2ncnc(N3CCC(CC3)c3nc(ccc3NCCN3CCCC3)-c3ccnc(F)c3)c12
Show InChI InChI=1S/C28H33FN8O/c1-18-24-26(35-28(18)38)32-17-33-27(24)37-13-7-19(8-14-37)25-22(30-10-15-36-11-2-3-12-36)5-4-21(34-25)20-6-9-31-23(29)16-20/h4-6,9,16-19,30H,2-3,7-8,10-15H2,1H3,(H,32,33,35,38)
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n/an/a 0.400n/an/an/an/an/an/a



Taiho Pahrmaceutical Co., Ltd.

US Patent


Assay Description
S6K1: Inhibitory activity of the compound according to the present invention on S6K1 kinase activity in vitro was assayed using the QSS Assist FP ass...


US Patent US10538528 (2020)

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


(Homo sapiens (Human))
BDBM430059
PNG
(US10538528, Compound 6)
Show SMILES CC(C)NCCNc1ccc(nc1C1CCN(CC1)c1ncnc2NC(=O)C(C)(C)c12)-c1sc(C)nc1C
Show InChI InChI=1S/C28H38N8OS/c1-16(2)29-11-12-30-20-7-8-21(24-17(3)33-18(4)38-24)34-23(20)19-9-13-36(14-10-19)26-22-25(31-15-32-26)35-27(37)28(22,5)6/h7-8,15-16,19,29-30H,9-14H2,1-6H3,(H,31,32,35,37)
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n/an/a 0.400n/an/an/an/an/an/a



Taiho Pahrmaceutical Co., Ltd.

US Patent


Assay Description
S6K1: Inhibitory activity of the compound according to the present invention on S6K1 kinase activity in vitro was assayed using the QSS Assist FP ass...


US Patent US10538528 (2020)

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


(Homo sapiens (Human))
BDBM430068
PNG
(US10538528, Compound 4)
Show SMILES CC(C)(C)NCCNc1ccc(nc1C1CCN(CC1)c1ncnc2NC(=O)C(C)(C)c12)-c1cnn(c1)C(F)F
Show InChI InChI=1S/C28H37F2N9O/c1-27(2,3)34-11-10-31-20-7-6-19(18-14-35-39(15-18)26(29)30)36-22(20)17-8-12-38(13-9-17)24-21-23(32-16-33-24)37-25(40)28(21,4)5/h6-7,14-17,26,31,34H,8-13H2,1-5H3,(H,32,33,37,40)
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n/an/a 0.400n/an/an/an/an/an/a



Taiho Pahrmaceutical Co., Ltd.

US Patent


Assay Description
S6K1: Inhibitory activity of the compound according to the present invention on S6K1 kinase activity in vitro was assayed using the QSS Assist FP ass...


US Patent US10538528 (2020)

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


(Homo sapiens (Human))
BDBM430067
PNG
(US10538528, Compound 3)
Show SMILES Cc1cc(-c2ccc(NCCN3CCCC3)c(n2)C2CCN(CC2)c2ncnc3NC(=O)C(C)(C)c23)n(C)n1
Show InChI InChI=1S/C29H39N9O/c1-19-17-23(36(4)35-19)21-7-8-22(30-11-16-37-12-5-6-13-37)25(33-21)20-9-14-38(15-10-20)27-24-26(31-18-32-27)34-28(39)29(24,2)3/h7-8,17-18,20,30H,5-6,9-16H2,1-4H3,(H,31,32,34,39)
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n/an/a 0.400n/an/an/an/an/an/a



Taiho Pahrmaceutical Co., Ltd.

US Patent


Assay Description
S6K1: Inhibitory activity of the compound according to the present invention on S6K1 kinase activity in vitro was assayed using the QSS Assist FP ass...


US Patent US10538528 (2020)

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


(Homo sapiens (Human))
BDBM430028
PNG
(US10538528, Compound 1)
Show SMILES CC(C)(C)NCCNc1ccc(nc1C1CCN(CC1)c1ncnc2NC(=O)C(C)(C)c12)-c1cncc(F)c1
Show InChI InChI=1S/C29H37FN8O/c1-28(2,3)35-11-10-32-22-7-6-21(19-14-20(30)16-31-15-19)36-24(22)18-8-12-38(13-9-18)26-23-25(33-17-34-26)37-27(39)29(23,4)5/h6-7,14-18,32,35H,8-13H2,1-5H3,(H,33,34,37,39)
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n/an/a 0.400n/an/an/an/an/an/a



Taiho Pahrmaceutical Co., Ltd.

US Patent


Assay Description
S6K1: Inhibitory activity of the compound according to the present invention on S6K1 kinase activity in vitro was assayed using the QSS Assist FP ass...


US Patent US10538528 (2020)

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


(Homo sapiens (Human))
BDBM187363
PNG
(US9169243, 11 | US9908875, 11)
Show SMILES CNC(=O)C1CCN(CC1)c1cnc(cc1-n1cnc(c1)C1CC1)C(=O)Nc1csc(n1)-c1nncn1C1CC1
Show InChI InChI=1S/C27H30N10O2S/c1-28-25(38)17-6-8-35(9-7-17)22-11-29-19(10-21(22)36-12-20(30-14-36)16-2-3-16)26(39)32-23-13-40-27(33-23)24-34-31-15-37(24)18-4-5-18/h10-18H,2-9H2,1H3,(H,28,38)(H,32,39)
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n/an/a 0.400n/an/an/an/an/an/a



Gilead Sciences Inc

US Patent


Assay Description
The assay measures the phosphorylation level of a biotinylated peptide substrate by the ASK1 kinase using HTRF detection. This is a competitive, time...


US Patent US9169243 (2015)


BindingDB Entry DOI: 10.7270/Q2RF5ST3
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM182551
PNG
(US9145392, 252)
Show SMILES CCc1c(N)ncnc1N1CCC(CC1)c1nc(cn1CCN1CCCC1)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C26H33ClFN7/c1-2-20-24(29)30-17-31-26(20)34-11-7-18(8-12-34)25-32-23(19-5-6-22(28)21(27)15-19)16-35(25)14-13-33-9-3-4-10-33/h5-6,15-18H,2-4,7-14H2,1H3,(H2,29,30,31)
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n/an/a 0.400n/an/an/an/a7.5n/a



Merck Patent GmbH

US Patent


Assay Description
A TTP Mosquito liquid handling instrument is used to place 125n1 of the appropriate concentration of inhibitor in 100% DMSO (for a dose response curv...


US Patent US9145392 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86D2
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM430055
PNG
(US10538528, Compound 42)
Show SMILES CC(C)NCCNc1ccc(nc1C1CCN(CC1)c1ncnc2NC(=O)C(C)(C)c12)-c1noc(n1)C(F)(F)F
Show InChI InChI=1S/C26H32F3N9O2/c1-14(2)30-9-10-31-16-5-6-17(20-36-24(40-37-20)26(27,28)29)34-19(16)15-7-11-38(12-8-15)22-18-21(32-13-33-22)35-23(39)25(18,3)4/h5-6,13-15,30-31H,7-12H2,1-4H3,(H,32,33,35,39)
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n/an/a 0.5n/an/an/an/an/an/a



Taiho Pahrmaceutical Co., Ltd.

US Patent


Assay Description
S6K1: Inhibitory activity of the compound according to the present invention on S6K1 kinase activity in vitro was assayed using the QSS Assist FP ass...


US Patent US10538528 (2020)

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


(Homo sapiens (Human))
BDBM430045
PNG
(US10538528, Compound 30)
Show SMILES CC1(C)C(=O)Nc2ncnc(N3CCC(CC3)c3nc(ccc3NCCN3CCCC3)-c3nnc(o3)C(F)F)c12
Show InChI InChI=1S/C27H33F2N9O2/c1-27(2)19-22(34-26(27)39)31-15-32-23(19)38-12-7-16(8-13-38)20-17(30-9-14-37-10-3-4-11-37)5-6-18(33-20)24-35-36-25(40-24)21(28)29/h5-6,15-16,21,30H,3-4,7-14H2,1-2H3,(H,31,32,34,39)
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n/an/a 0.5n/an/an/an/an/an/a



Taiho Pahrmaceutical Co., Ltd.

US Patent


Assay Description
S6K1: Inhibitory activity of the compound according to the present invention on S6K1 kinase activity in vitro was assayed using the QSS Assist FP ass...


US Patent US10538528 (2020)

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


(Homo sapiens (Human))
BDBM430049
PNG
(US10538528, Compound 33)
Show SMILES CC(C)NCCNc1ccc(nc1C1CCN(CC1)c1ncnc2NC(=O)C(C)(C)c12)-c1nnc(o1)C(F)(F)F
Show InChI InChI=1S/C26H32F3N9O2/c1-14(2)30-9-10-31-16-5-6-17(22-36-37-24(40-22)26(27,28)29)34-19(16)15-7-11-38(12-8-15)21-18-20(32-13-33-21)35-23(39)25(18,3)4/h5-6,13-15,30-31H,7-12H2,1-4H3,(H,32,33,35,39)
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Taiho Pahrmaceutical Co., Ltd.

US Patent


Assay Description
S6K1: Inhibitory activity of the compound according to the present invention on S6K1 kinase activity in vitro was assayed using the QSS Assist FP ass...


US Patent US10538528 (2020)

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


(Homo sapiens (Human))
BDBM430037
PNG
(US10538528, Compound 19)
Show SMILES CC1C(=O)Nc2ncnc(N3CCC(CC3)c3nc(ccc3NCCN3CCCC3)-c3cncc(F)c3)c12
Show InChI InChI=1S/C28H33FN8O/c1-18-24-26(35-28(18)38)32-17-33-27(24)37-11-6-19(7-12-37)25-23(31-8-13-36-9-2-3-10-36)5-4-22(34-25)20-14-21(29)16-30-15-20/h4-5,14-19,31H,2-3,6-13H2,1H3,(H,32,33,35,38)
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Taiho Pahrmaceutical Co., Ltd.

US Patent


Assay Description
S6K1: Inhibitory activity of the compound according to the present invention on S6K1 kinase activity in vitro was assayed using the QSS Assist FP ass...


US Patent US10538528 (2020)

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


(Homo sapiens (Human))
BDBM50322393
PNG
((S)-N-((3-amino-1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimi...)
Show SMILES CCc1c[nH]c2ncnc(N3CC[C@](N)(CNC(=O)c4ccc(F)cc4F)C3)c12
Show InChI InChI=1S/C20H22F2N6O/c1-2-12-8-24-17-16(12)18(27-11-26-17)28-6-5-20(23,10-28)9-25-19(29)14-4-3-13(21)7-15(14)22/h3-4,7-8,11H,2,5-6,9-10,23H2,1H3,(H,25,29)(H,24,26,27)/t20-/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of AKT1 after 90 mins by IMAP assay


J Med Chem 53: 4615-22 (2010)


Article DOI: 10.1021/jm1003842
BindingDB Entry DOI: 10.7270/Q24X580C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM182473
PNG
(US9145392, 174)
Show SMILES CCNCCn1cc(nc1C1CCN(CC1)c1ncnc(N)c1OC(C)C)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C26H33F4N7O/c1-4-32-9-12-37-14-21(18-5-6-20(27)19(13-18)26(28,29)30)35-24(37)17-7-10-36(11-8-17)25-22(38-16(2)3)23(31)33-15-34-25/h5-6,13-17,32H,4,7-12H2,1-3H3,(H2,31,33,34)
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n/an/a 0.520n/an/an/an/a7.5n/a



Merck Patent GmbH

US Patent


Assay Description
A TTP Mosquito liquid handling instrument is used to place 125n1 of the appropriate concentration of inhibitor in 100% DMSO (for a dose response curv...


US Patent US9145392 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86D2
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50307954
PNG
(4-((4-Chlorobenzyloxy)methyl)-1-(7H-pyrrolo[2,3-d]...)
Show SMILES NC1(COCc2ccc(Cl)cc2)CCN(CC1)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C19H22ClN5O/c20-15-3-1-14(2-4-15)11-26-12-19(21)6-9-25(10-7-19)18-16-5-8-22-17(16)23-13-24-18/h1-5,8,13H,6-7,9-12,21H2,(H,22,23,24)
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n/an/a 0.590n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of PKB in human U87MG cells assessed as GSK3beta phosphorylation by ELISA


J Med Chem 53: 2239-49 (2010)


Article DOI: 10.1021/jm901788j
BindingDB Entry DOI: 10.7270/Q23B608V
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM25013
PNG
(4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[(3S...)
Show SMILES CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N
Show InChI InChI=1S/C21H27N7O3/c1-4-28-18-15(30-12-13-6-5-9-23-10-13)11-24-14(7-8-21(2,3)29)16(18)25-20(28)17-19(22)27-31-26-17/h11,13,23,29H,4-6,9-10,12H2,1-3H3,(H2,22,27)/t13-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of AKT1 (unknown origin) after 1 hr by Z'-LYTE kinase assay in presence of 75 uM ATP


ACS Med Chem Lett 5: 462-7 (2014)


Article DOI: 10.1021/ml500088x
BindingDB Entry DOI: 10.7270/Q2VT1TNG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM430042
PNG
(US10538528, Compound 24)
Show SMILES CC1C(=O)Nc2ncnc(N3CCC(CC3)c3nc(ccc3NCCN3CCCC3)-c3nccs3)c12
Show InChI InChI=1S/C26H32N8OS/c1-17-21-23(32-25(17)35)29-16-30-24(21)34-12-6-18(7-13-34)22-19(27-8-14-33-10-2-3-11-33)4-5-20(31-22)26-28-9-15-36-26/h4-5,9,15-18,27H,2-3,6-8,10-14H2,1H3,(H,29,30,32,35)
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n/an/a 0.600n/an/an/an/an/an/a



Taiho Pahrmaceutical Co., Ltd.

US Patent


Assay Description
S6K1: Inhibitory activity of the compound according to the present invention on S6K1 kinase activity in vitro was assayed using the QSS Assist FP ass...


US Patent US10538528 (2020)

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


(Homo sapiens (Human))
BDBM430046
PNG
(US10538528, Compound 31)
Show SMILES CC(C)NCCNc1ccc(nc1C1CCN(CC1)c1ncnc2NC(=O)C(C)(C)c12)-c1nnc(o1)C(F)F
Show InChI InChI=1S/C26H33F2N9O2/c1-14(2)29-9-10-30-16-5-6-17(23-35-36-24(39-23)20(27)28)33-19(16)15-7-11-37(12-8-15)22-18-21(31-13-32-22)34-25(38)26(18,3)4/h5-6,13-15,20,29-30H,7-12H2,1-4H3,(H,31,32,34,38)
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n/an/a 0.600n/an/an/an/an/an/a



Taiho Pahrmaceutical Co., Ltd.

US Patent


Assay Description
S6K1: Inhibitory activity of the compound according to the present invention on S6K1 kinase activity in vitro was assayed using the QSS Assist FP ass...


US Patent US10538528 (2020)

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


(Homo sapiens (Human))
BDBM16534
PNG
((3Z)-5-(5-{[(2S)-2-amino-3-phenylpropyl]oxy}pyridi...)
Show SMILES N[C@H](COc1cncc(c1)-c1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1)Cc1ccccc1
Show InChI InChI=1S/C27H24N4O2/c28-21(11-18-5-2-1-3-6-18)17-33-23-12-20(15-29-16-23)19-8-9-26-24(13-19)25(27(32)31-26)14-22-7-4-10-30-22/h1-10,12-16,21,30H,11,17,28H2,(H,31,32)/b25-14-/t21-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of Akt


Eur J Med Chem 44: 4090-7 (2009)


Article DOI: 10.1016/j.ejmech.2009.04.050
BindingDB Entry DOI: 10.7270/Q2GT5N74
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM430069
PNG
(US10538528, Compound 26)
Show SMILES CC1C(=O)Nc2ncnc(N3CCC(=CC3)c3nc(ccc3NCCN3CCCC3)-c3cncc(F)c3)c12
Show InChI InChI=1S/C28H31FN8O/c1-18-24-26(35-28(18)38)32-17-33-27(24)37-11-6-19(7-12-37)25-23(31-8-13-36-9-2-3-10-36)5-4-22(34-25)20-14-21(29)16-30-15-20/h4-6,14-18,31H,2-3,7-13H2,1H3,(H,32,33,35,38)
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n/an/a 0.600n/an/an/an/an/an/a



Taiho Pahrmaceutical Co., Ltd.

US Patent


Assay Description
S6K1: Inhibitory activity of the compound according to the present invention on S6K1 kinase activity in vitro was assayed using the QSS Assist FP ass...


US Patent US10538528 (2020)

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


(Homo sapiens (Human))
BDBM430038
PNG
(US10538528, Compound 20)
Show SMILES CC1C(=O)Nc2ncnc(N3CCC(CC3)c3nc(ccc3NCCN3CCCC3)-c3cc(nn3C)C(F)(F)F)c12
Show InChI InChI=1S/C28H34F3N9O/c1-17-23-25(36-27(17)41)33-16-34-26(23)40-12-7-18(8-13-40)24-20(32-9-14-39-10-3-4-11-39)6-5-19(35-24)21-15-22(28(29,30)31)37-38(21)2/h5-6,15-18,32H,3-4,7-14H2,1-2H3,(H,33,34,36,41)
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n/an/a 0.600n/an/an/an/an/an/a



Taiho Pahrmaceutical Co., Ltd.

US Patent


Assay Description
S6K1: Inhibitory activity of the compound according to the present invention on S6K1 kinase activity in vitro was assayed using the QSS Assist FP ass...


US Patent US10538528 (2020)

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


(Homo sapiens (Human))
BDBM50316183
PNG
(4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-6-((R)-2-amino...)
Show SMILES CCn1c(nc2c(nc(OC[C@H](N)Cc3ccccc3)cc12)C#CC(C)(C)O)-c1nonc1N
Show InChI InChI=1S/C24H27N7O3/c1-4-31-18-13-19(33-14-16(25)12-15-8-6-5-7-9-15)27-17(10-11-24(2,3)32)20(18)28-23(31)21-22(26)30-34-29-21/h5-9,13,16,32H,4,12,14,25H2,1-3H3,(H2,26,30)/t16-/m1/s1
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n/an/a 0.600n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT


Bioorg Med Chem Lett 19: 1508-11 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.002
BindingDB Entry DOI: 10.7270/Q2XK8FP7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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