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Compile Data Set for Download or QSAR

Found 161 hits of ic50 data for polymerid = 2737,2739   
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
Ribosomal protein S6 kinase alpha-1


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 0.0900n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of RSK1 (unknown origin)


Eur J Med Chem 141: 657-675 (2017)


Article DOI: 10.1016/j.ejmech.2017.10.003
BindingDB Entry DOI: 10.7270/Q2CV4M86
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a<0.100n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of RSK1


J Med Chem 52: 3191-204 (2009)


Article DOI: 10.1021/jm800861c
BindingDB Entry DOI: 10.7270/Q23J3DWT
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 0.126n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of human RSK1 using KKLNRTLSVA as substrate by [gamma-33P]-ATP assay


Eur J Med Chem 161: 456-467 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.052
BindingDB Entry DOI: 10.7270/Q2W380MT
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 0.126n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human RSK1 using KKLNRTLSVA as substrate by [gamma-33P]-ATP assay


Citation and Details

Article DOI: 10.1016/j.bmc.2018.02.022
BindingDB Entry DOI: 10.7270/Q2DJ5KB8
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1


(Homo sapiens (Human))
BDBM139540
PNG
(US10189849, staurosporine | US10307427, Staurospor...)
Show SMILES CN[C@@H]1CC2OC([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C27H24N4O3/c1-28-16-11-19-30-17-9-5-4-8-14(17)21-22-15(12-29-26(22)32)20-13-7-3-6-10-18(13)31(23(20)24(21)30)27(34-19)25(16)33-2/h3-10,16,19,25,27-28H,11-12H2,1-2H3,(H,29,32)/t16-,19?,25-,27?/m1/s1
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US Patent
n/an/a 0.190n/an/an/an/an/an/a



Temple University—Of The Commonwealth System Of Higher Education

US Patent


Assay Description
The compound of Example 39, 2-(1H-indol-5-ylamino)-6-(2,4-difluorophenylsulfonyl)-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one, was subjected to a kinase...


US Patent US8889696 (2014)


BindingDB Entry DOI: 10.7270/Q2930RVR
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1


(Homo sapiens (Human))
BDBM258601
PNG
(US9493490, 6-(4-(aminomethyl)-2-chlorophenoxy)-7-i...)
Show SMILES CC(C)c1c2B(O)OCc2ccc1Oc1ccc(CN)cc1Cl
Show InChI InChI=1S/C17H19BClNO3/c1-10(2)16-15(6-4-12-9-22-18(21)17(12)16)23-14-5-3-11(8-20)7-13(14)19/h3-7,10,21H,8-9,20H2,1-2H3
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n/an/a 0.195n/an/an/an/an/a25



Anacor Pharmaceuticals, Inc.

US Patent


Assay Description
Phosphorylation of activity of ROCK1 and ROCK2 and those of other kinases, AKT1, GRK2, PKA, PKCa and RSK1 were performed by Reaction Biology (Malvern...


US Patent US9493490 (2016)


BindingDB Entry DOI: 10.7270/Q2R2109J
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1


(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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n/an/a 0.400n/an/an/an/an/an/a



Taiho Pahrmaceutical Co., Ltd.

US Patent


Assay Description
Akt1 was prepared and assays of inhibitory activity of the compound according to the present invention against Akt1 kinase activity in vitro were con...


US Patent US10538528 (2020)


BindingDB Entry DOI: 10.7270/Q2MK6G95
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1


(Homo sapiens (Human))
BDBM430036
PNG
(US10538528, Compound 18)
Show SMILES CC1C(=O)Nc2ncnc(N3CCC(CC3)c3nc(ccc3NCCN3CCCC3)-c3ccsc3)c12
Show InChI InChI=1S/C27H33N7OS/c1-18-23-25(32-27(18)35)29-17-30-26(23)34-12-6-19(7-13-34)24-22(28-9-14-33-10-2-3-11-33)5-4-21(31-24)20-8-15-36-16-20/h4-5,8,15-19,28H,2-3,6-7,9-14H2,1H3,(H,29,30,32,35)
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n/an/a 0.5n/an/an/an/an/an/a



Taiho Pahrmaceutical Co., Ltd.

US Patent


Assay Description
Akt1 was prepared and assays of inhibitory activity of the compound according to the present invention against Akt1 kinase activity in vitro were con...


US Patent US10538528 (2020)


BindingDB Entry DOI: 10.7270/Q2MK6G95
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a<0.5n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of RSK1 using biotinylated substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence microplate ...


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
BindingDB Entry DOI: 10.7270/Q2NG4R1D
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1


(Homo sapiens (Human))
BDBM430032
PNG
(US10538528, Compound 14)
Show SMILES CC1C(=O)Nc2ncnc(N3CCC(CC3)c3nc(ccc3NCCN3CCCC3)-c3ccoc3)c12
Show InChI InChI=1S/C27H33N7O2/c1-18-23-25(32-27(18)35)29-17-30-26(23)34-12-6-19(7-13-34)24-22(28-9-14-33-10-2-3-11-33)5-4-21(31-24)20-8-15-36-16-20/h4-5,8,15-19,28H,2-3,6-7,9-14H2,1H3,(H,29,30,32,35)
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n/an/a 0.5n/an/an/an/an/an/a



Taiho Pahrmaceutical Co., Ltd.

US Patent


Assay Description
Akt1 was prepared and assays of inhibitory activity of the compound according to the present invention against Akt1 kinase activity in vitro were con...


US Patent US10538528 (2020)


BindingDB Entry DOI: 10.7270/Q2MK6G95
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1


(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
Akt1 was prepared and assays of inhibitory activity of the compound according to the present invention against Akt1 kinase activity in vitro were con...


US Patent US10538528 (2020)


BindingDB Entry DOI: 10.7270/Q2MK6G95
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1


(Homo sapiens (Human))
BDBM430035
PNG
(US10538528, Compound 17)
Show SMILES CC1C(=O)Nc2ncnc(N3CCC(CC3)c3nc(ccc3NCCN3CCCC3)-c3cccnc3F)c12
Show InChI InChI=1S/C28H33FN8O/c1-18-23-26(35-28(18)38)32-17-33-27(23)37-14-8-19(9-15-37)24-22(30-11-16-36-12-2-3-13-36)7-6-21(34-24)20-5-4-10-31-25(20)29/h4-7,10,17-19,30H,2-3,8-9,11-16H2,1H3,(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
Akt1 was prepared and assays of inhibitory activity of the compound according to the present invention against Akt1 kinase activity in vitro were con...


US Patent US10538528 (2020)


BindingDB Entry DOI: 10.7270/Q2MK6G95
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1


(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 0.700n/an/an/an/an/an/a



Taiho Pahrmaceutical Co., Ltd.

US Patent


Assay Description
Akt1 was prepared and assays of inhibitory activity of the compound according to the present invention against Akt1 kinase activity in vitro were con...


US Patent US10538528 (2020)


BindingDB Entry DOI: 10.7270/Q2MK6G95
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1


(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 1n/an/an/an/an/an/a



Taiho Pahrmaceutical Co., Ltd.

US Patent


Assay Description
Akt1 was prepared and assays of inhibitory activity of the compound according to the present invention against Akt1 kinase activity in vitro were con...


US Patent US10538528 (2020)


BindingDB Entry DOI: 10.7270/Q2MK6G95
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1


(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 1n/an/an/an/an/an/a



Taiho Pahrmaceutical Co., Ltd.

US Patent


Assay Description
Akt1 was prepared and assays of inhibitory activity of the compound according to the present invention against Akt1 kinase activity in vitro were con...


US Patent US10538528 (2020)


BindingDB Entry DOI: 10.7270/Q2MK6G95
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1


(Homo sapiens (Human))
BDBM199250
PNG
(US9221808, 1bo | US9221808, 1bo-HCl | US9221808, 1...)
Show SMILES Oc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1
Show InChI InChI=1S/C16H14N4O2S/c21-13-3-1-2-11(8-13)9-18-15(22)20-16-19-14(10-23-16)12-4-6-17-7-5-12/h1-8,10,21H,9H2,(H2,18,19,20,22)
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n/an/a<1n/an/an/an/an/an/a



Moffitt Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of RSK1 (unknown origin)


Medchemcomm 3: 699-709 (2012)


Article DOI: 10.1039/c2md00320a
BindingDB Entry DOI: 10.7270/Q2571G0R
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1


(Homo sapiens (Human))
BDBM25004
PNG
(3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-(3-aminoprop...)
Show SMILES CCn1c(nc2c(ncc(OCCCN)c12)C#CCO)-c1nonc1N
Show InChI InChI=1S/C16H19N7O3/c1-2-23-14-11(25-8-4-6-17)9-19-10(5-3-7-24)12(14)20-16(23)13-15(18)22-26-21-13/h9,24H,2,4,6-8,17H2,1H3,(H2,18,22)
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n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...


J Med Chem 51: 5663-79 (2008)


Article DOI: 10.1021/jm8004527
BindingDB Entry DOI: 10.7270/Q29G5K3H
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of RSK1 (unknown origin) by Z-LYTE kinase assay


Eur J Med Chem 117: 47-58 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.074
BindingDB Entry DOI: 10.7270/Q2QJ7K5K
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1


(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 1.40n/an/an/an/an/an/a



Taiho Pahrmaceutical Co., Ltd.

US Patent


Assay Description
Akt1 was prepared and assays of inhibitory activity of the compound according to the present invention against Akt1 kinase activity in vitro were con...


US Patent US10538528 (2020)


BindingDB Entry DOI: 10.7270/Q2MK6G95
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1


(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 1.40n/an/an/an/an/an/a



Taiho Pahrmaceutical Co., Ltd.

US Patent


Assay Description
Akt1 was prepared and assays of inhibitory activity of the compound according to the present invention against Akt1 kinase activity in vitro were con...


US Patent US10538528 (2020)


BindingDB Entry DOI: 10.7270/Q2MK6G95
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1


(Homo sapiens (Human))
BDBM430044
PNG
(US10538528, Compound 27)
Show SMILES CC1C(=O)Nc2ncnc(N3CCC(CC3)c3cc(cnc3NCCN3CCCC3)-c3cc(nn3C)C(F)(F)F)c12
Show InChI InChI=1S/C28H34F3N9O/c1-17-23-25(36-27(17)41)34-16-35-26(23)40-10-5-18(6-11-40)20-13-19(21-14-22(28(29,30)31)37-38(21)2)15-33-24(20)32-7-12-39-8-3-4-9-39/h13-18H,3-12H2,1-2H3,(H,32,33)(H,34,35,36,41)
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n/an/a 1.60n/an/an/an/an/an/a



Taiho Pahrmaceutical Co., Ltd.

US Patent


Assay Description
Akt1 was prepared and assays of inhibitory activity of the compound according to the present invention against Akt1 kinase activity in vitro were con...


US Patent US10538528 (2020)


BindingDB Entry DOI: 10.7270/Q2MK6G95
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1


(Homo sapiens (Human))
BDBM430040
PNG
(US10538528, Compound 22)
Show SMILES CC1C(=O)Nc2ncnc(N3CCC(CC3)c3nc(ccc3NCCN3CCCC3)-c3cccnc3C)c12
Show InChI InChI=1S/C29H36N8O/c1-19-25-27(35-29(19)38)32-18-33-28(25)37-15-9-21(10-16-37)26-24(31-12-17-36-13-3-4-14-36)8-7-23(34-26)22-6-5-11-30-20(22)2/h5-8,11,18-19,21,31H,3-4,9-10,12-17H2,1-2H3,(H,32,33,35,38)
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n/an/a 1.80n/an/an/an/an/an/a



Taiho Pahrmaceutical Co., Ltd.

US Patent


Assay Description
Akt1 was prepared and assays of inhibitory activity of the compound according to the present invention against Akt1 kinase activity in vitro were con...


US Patent US10538528 (2020)


BindingDB Entry DOI: 10.7270/Q2MK6G95
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1


(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 1.90n/an/an/an/an/an/a



Taiho Pahrmaceutical Co., Ltd.

US Patent


Assay Description
Akt1 was prepared and assays of inhibitory activity of the compound according to the present invention against Akt1 kinase activity in vitro were con...


US Patent US10538528 (2020)


BindingDB Entry DOI: 10.7270/Q2MK6G95
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1


(Homo sapiens (Human))
BDBM430034
PNG
(US10538528, Compound 16)
Show SMILES COc1cc(c(F)cn1)-c1ccc(NCCN2CCCC2)c(n1)C1CCN(CC1)c1ncnc2NC(=O)C(C)c12
Show InChI InChI=1S/C29H35FN8O2/c1-18-25-27(36-29(18)39)33-17-34-28(25)38-12-7-19(8-13-38)26-23(31-9-14-37-10-3-4-11-37)6-5-22(35-26)20-15-24(40-2)32-16-21(20)30/h5-6,15-19,31H,3-4,7-14H2,1-2H3,(H,33,34,36,39)
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n/an/a 1.90n/an/an/an/an/an/a



Taiho Pahrmaceutical Co., Ltd.

US Patent


Assay Description
Akt1 was prepared and assays of inhibitory activity of the compound according to the present invention against Akt1 kinase activity in vitro were con...


US Patent US10538528 (2020)


BindingDB Entry DOI: 10.7270/Q2MK6G95
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1


(Homo sapiens (Human))
BDBM286091
PNG
((R)¿N-(1-(4-aminobenzyl)-1H-pyrazol-4-yl)-9-methyl...)
Show SMILES C[C@@H]1CNC(=O)c2cc3ccc(nc3n12)C(=O)Nc1cnn(Cc2ccc(N)cc2)c1 |r|
Show InChI InChI=1S/C27H29N7O4/c1-16-12-28-25(36)22-11-18-7-10-21(32-23(18)34(16)22)24(35)30-20-13-29-33(15-20)14-17-5-8-19(9-6-17)31-26(37)38-27(2,3)4/h5-11,13,15-16H,12,14H2,1-4H3,(H,28,36)(H,30,35)(H,31,37)/t16-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



PHOENIX MOLECULAR DESIGN

US Patent


Assay Description
Radioisotope assays (SignalChem) were performed for the evaluation of the kinase target profiling and all assays were performed in a designated radio...


US Patent US9771366 (2017)


BindingDB Entry DOI: 10.7270/Q2862JK5
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1


(Homo sapiens (Human))
BDBM286091
PNG
((R)¿N-(1-(4-aminobenzyl)-1H-pyrazol-4-yl)-9-methyl...)
Show SMILES C[C@@H]1CNC(=O)c2cc3ccc(nc3n12)C(=O)Nc1cnn(Cc2ccc(N)cc2)c1 |r|
Show InChI InChI=1S/C27H29N7O4/c1-16-12-28-25(36)22-11-18-7-10-21(32-23(18)34(16)22)24(35)30-20-13-29-33(15-20)14-17-5-8-19(9-6-17)31-26(37)38-27(2,3)4/h5-11,13,15-16H,12,14H2,1-4H3,(H,28,36)(H,30,35)(H,31,37)/t16-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



PHOENIX MOLECULAR DESIGNS

US Patent


Assay Description
Radioisotope assays were performed for the evaluation of the kinase target profiling and all assays were performed in a designated radioactive workin...


US Patent US10758530 (2020)


BindingDB Entry DOI: 10.7270/Q20R9SGD
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1


(Homo sapiens (Human))
BDBM430033
PNG
(US10538528, Compound 15)
Show SMILES COc1cncc(c1)-c1ccc(NCCNC(C)C)c(n1)C1CCN(CC1)c1ncnc2NC(=O)C(C)c12
Show InChI InChI=1S/C28H36N8O2/c1-17(2)30-9-10-31-23-6-5-22(20-13-21(38-4)15-29-14-20)34-25(23)19-7-11-36(12-8-19)27-24-18(3)28(37)35-26(24)32-16-33-27/h5-6,13-19,30-31H,7-12H2,1-4H3,(H,32,33,35,37)
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n/an/a 2.10n/an/an/an/an/an/a



Taiho Pahrmaceutical Co., Ltd.

US Patent


Assay Description
Akt1 was prepared and assays of inhibitory activity of the compound according to the present invention against Akt1 kinase activity in vitro were con...


US Patent US10538528 (2020)


BindingDB Entry DOI: 10.7270/Q2MK6G95
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1


(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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n/an/a 2.5n/an/an/an/an/an/a



Taiho Pahrmaceutical Co., Ltd.

US Patent


Assay Description
Akt1 was prepared and assays of inhibitory activity of the compound according to the present invention against Akt1 kinase activity in vitro were con...


US Patent US10538528 (2020)


BindingDB Entry DOI: 10.7270/Q2MK6G95
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1


(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 2.60n/an/an/an/an/an/a



Taiho Pahrmaceutical Co., Ltd.

US Patent


Assay Description
Akt1 was prepared and assays of inhibitory activity of the compound according to the present invention against Akt1 kinase activity in vitro were con...


US Patent US10538528 (2020)


BindingDB Entry DOI: 10.7270/Q2MK6G95
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1


(Homo sapiens (Human))
BDBM430043
PNG
(US10538528, Compound 25)
Show SMILES CC1C(=O)Nc2ncnc(N3CCC(CC3)c3nc(ccc3NCCN3CCCC3)-c3ncco3)c12
Show InChI InChI=1S/C26H32N8O2/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 2.70n/an/an/an/an/an/a



Taiho Pahrmaceutical Co., Ltd.

US Patent


Assay Description
Akt1 was prepared and assays of inhibitory activity of the compound according to the present invention against Akt1 kinase activity in vitro were con...


US Patent US10538528 (2020)


BindingDB Entry DOI: 10.7270/Q2MK6G95
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1


(Homo sapiens (Human))
BDBM25017
PNG
(2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimeth...)
Show SMILES CC(C)CCN1C(C)C(=O)N(C)c2cnc(Nc3cc(F)c(O)c(F)c3)nc12
Show InChI InChI=1S/C19H23F2N5O2/c1-10(2)5-6-26-11(3)18(28)25(4)15-9-22-19(24-17(15)26)23-12-7-13(20)16(27)14(21)8-12/h7-11,27H,5-6H2,1-4H3,(H,22,23,24)
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n/an/a 3n/an/an/an/an/an/a



University of Colorado Anschutz Medical Campus

Curated by ChEMBL


Assay Description
Inhibition of RSK1 (unknown origin)


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115303
BindingDB Entry DOI: 10.7270/Q2XW4PCP
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1


(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)
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n/an/a 3.30n/an/an/an/an/an/a



Taiho Pahrmaceutical Co., Ltd.

US Patent


Assay Description
Akt1 was prepared and assays of inhibitory activity of the compound according to the present invention against Akt1 kinase activity in vitro were con...


US Patent US10538528 (2020)


BindingDB Entry DOI: 10.7270/Q2MK6G95
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1


(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 3.5n/an/an/an/an/an/a



Taiho Pahrmaceutical Co., Ltd.

US Patent


Assay Description
Akt1 was prepared and assays of inhibitory activity of the compound according to the present invention against Akt1 kinase activity in vitro were con...


US Patent US10538528 (2020)


BindingDB Entry DOI: 10.7270/Q2MK6G95
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1


(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 3.60n/an/an/an/an/an/a



Taiho Pahrmaceutical Co., Ltd.

US Patent


Assay Description
Akt1 was prepared and assays of inhibitory activity of the compound according to the present invention against Akt1 kinase activity in vitro were con...


US Patent US10538528 (2020)


BindingDB Entry DOI: 10.7270/Q2MK6G95
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1


(Homo sapiens (Human))
BDBM258598
PNG
(US9493490, Example 10 | US9493490, G)
Show SMILES C[C@@H](N)c1ccc(Oc2ccc3COB(O)c3c2C)c(F)c1 |r|
Show InChI InChI=1S/C16H17BFNO3/c1-9-14(5-4-12-8-21-17(20)16(9)12)22-15-6-3-11(10(2)19)7-13(15)18/h3-7,10,20H,8,19H2,1-2H3/t10-/m1/s1
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n/an/a 3.62n/an/an/an/an/a25



Anacor Pharmaceuticals, Inc.

US Patent


Assay Description
Phosphorylation of activity of ROCK1 and ROCK2 and those of other kinases, AKT1, GRK2, PKA, PKCa and RSK1 were performed by Reaction Biology (Malvern...


US Patent US9493490 (2016)


BindingDB Entry DOI: 10.7270/Q2R2109J
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1


(Homo sapiens (Human))
BDBM50592745
PNG
(CHEMBL5188373)
Show SMILES COCC1CN(C1)C1CCN(CC1)c1cc(OC)c(Nc2ncc(Br)c(Nc3ccc4OCCOc4c3P(C)(C)=O)n2)cc1C
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n/an/a 4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116907
BindingDB Entry DOI: 10.7270/Q2J96BC1
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1


(Homo sapiens (Human))
BDBM430039
PNG
(US10538528, Compound 21)
Show SMILES COc1cncc(c1)-c1ccc(NCCN(C)C)c(n1)C1CCN(CC1)c1ncnc2NC(=O)C(C)c12
Show InChI InChI=1S/C27H34N8O2/c1-17-23-25(33-27(17)36)30-16-31-26(23)35-10-7-18(8-11-35)24-22(29-9-12-34(2)3)6-5-21(32-24)19-13-20(37-4)15-28-14-19/h5-6,13-18,29H,7-12H2,1-4H3,(H,30,31,33,36)
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US Patent
n/an/a 4n/an/an/an/an/an/a



Taiho Pahrmaceutical Co., Ltd.

US Patent


Assay Description
Akt1 was prepared and assays of inhibitory activity of the compound according to the present invention against Akt1 kinase activity in vitro were con...


US Patent US10538528 (2020)


BindingDB Entry DOI: 10.7270/Q2MK6G95
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1


(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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UniChem
US Patent
n/an/a 4.10n/an/an/an/an/an/a



Taiho Pahrmaceutical Co., Ltd.

US Patent


Assay Description
Akt1 was prepared and assays of inhibitory activity of the compound according to the present invention against Akt1 kinase activity in vitro were con...


US Patent US10538528 (2020)


BindingDB Entry DOI: 10.7270/Q2MK6G95
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1


(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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US Patent
n/an/a 4.80n/an/an/an/an/an/a



Taiho Pahrmaceutical Co., Ltd.

US Patent


Assay Description
Akt1 was prepared and assays of inhibitory activity of the compound according to the present invention against Akt1 kinase activity in vitro were con...


US Patent US10538528 (2020)


BindingDB Entry DOI: 10.7270/Q2MK6G95
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1


(Homo sapiens (Human))
BDBM50111384
PNG
(CHEMBL3604794)
Show SMILES Oc1c(F)cc(cc1F)-c1cnccc1-c1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C21H18F2N2O2/c22-19-11-15(12-20(23)21(19)26)18-13-24-6-5-17(18)14-1-3-16(4-2-14)25-7-9-27-10-8-25/h1-6,11-13,26H,7-10H2
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n/an/a 5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length recombinant His-tagged human RSK1 expressed in baculovirus expression system using biotin-labelled AGAGRSRHSSYPAGT-OH as su...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00969
BindingDB Entry DOI: 10.7270/Q2WD44DC
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1


(Homo sapiens (Human))
BDBM258595
PNG
(US9493490, 6-(4-(aminomethyl)-2-fluorophenoxy)-7-m...)
Show SMILES Cc1c2B(O)OCc2ccc1Oc1ccc(CN)cc1F
Show InChI InChI=1S/C15H15BFNO3/c1-9-13(5-3-11-8-20-16(19)15(9)11)21-14-4-2-10(7-18)6-12(14)17/h2-6,19H,7-8,18H2,1H3
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US Patent
n/an/a 5.01n/an/an/an/an/a25



Anacor Pharmaceuticals, Inc.

US Patent


Assay Description
Phosphorylation of activity of ROCK1 and ROCK2 and those of other kinases, AKT1, GRK2, PKA, PKCa and RSK1 were performed by Reaction Biology (Malvern...


US Patent US9493490 (2016)


BindingDB Entry DOI: 10.7270/Q2R2109J
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1


(Homo sapiens (Human))
BDBM258600
PNG
(US9493490, 6-(3-(aminomethyl)-2-fluorophenoxy)-7-m...)
Show SMILES Cc1c2B(O)OCc2ccc1Oc1cccc(CN)c1F
Show InChI InChI=1S/C15H15BFNO3/c1-9-12(6-5-11-8-20-16(19)14(9)11)21-13-4-2-3-10(7-18)15(13)17/h2-6,19H,7-8,18H2,1H3
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US Patent
n/an/a 5.19n/an/an/an/an/a25



Anacor Pharmaceuticals, Inc.

US Patent


Assay Description
Phosphorylation of activity of ROCK1 and ROCK2 and those of other kinases, AKT1, GRK2, PKA, PKCa and RSK1 were performed by Reaction Biology (Malvern...


US Patent US9493490 (2016)


BindingDB Entry DOI: 10.7270/Q2R2109J
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1


(Homo sapiens (Human))
BDBM50234990
PNG
(CHEMBL4062453)
Show SMILES CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2cccc(F)c2)c1
Show InChI InChI=1S/C28H27FN6O2/c1-33(2)10-11-34-17-22(15-32-34)20-8-9-35-25(16-31-27(35)14-20)21-6-7-24(28(30)36)26(13-21)37-18-19-4-3-5-23(29)12-19/h3-9,12-17H,10-11,18H2,1-2H3,(H2,30,36)
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n/an/a 5.40n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of RSK1 (unknown origin)


Eur J Med Chem 126: 1083-1106 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.026
BindingDB Entry DOI: 10.7270/Q2GT5QFN
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1


(Homo sapiens (Human))
BDBM236890
PNG
(US9388171, II-64)
Show SMILES COc1ccc(cc1)[C@@H]1CN(C)C[C@H]1NC(=O)c1ccc2cnc(Nc3cc(C)nn3C)cc2c1 |r|
Show InChI InChI=1S/C27H30N6O2/c1-17-11-26(33(3)31-17)30-25-13-21-12-19(5-6-20(21)14-28-25)27(34)29-24-16-32(2)15-23(24)18-7-9-22(35-4)10-8-18/h5-14,23-24H,15-16H2,1-4H3,(H,28,30)(H,29,34)/t23-,24+/m0/s1
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US Patent
n/an/a 5.47n/an/an/an/an/a37



GENETECH, INC.; ARRAY BIOPHARMA INC.

US Patent


Assay Description
HepG2 cells were obtained from ATCC and grown in DMEM supplemented with 10% fetal bovine serum. Cells were plated in 96-well plates at 35,000 cells/w...


US Patent US9388171 (2016)


BindingDB Entry DOI: 10.7270/Q2ZC81SV
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1


(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)
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US Patent
n/an/a 5.80n/an/an/an/an/an/a



Taiho Pahrmaceutical Co., Ltd.

US Patent


Assay Description
Akt1 was prepared and assays of inhibitory activity of the compound according to the present invention against Akt1 kinase activity in vitro were con...


US Patent US10538528 (2020)


BindingDB Entry DOI: 10.7270/Q2MK6G95
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1


(Homo sapiens (Human))
BDBM236878
PNG
(US9388171, I-6)
Show SMILES CC[C@@H](NC(=O)c1ccc2cnc(NC3CCOCC3)cc2n1)c1ccc(OC)c(F)c1 |r|
Show InChI InChI=1S/C24H27FN4O3/c1-3-19(15-5-7-22(31-2)18(25)12-15)29-24(30)20-6-4-16-14-26-23(13-21(16)28-20)27-17-8-10-32-11-9-17/h4-7,12-14,17,19H,3,8-11H2,1-2H3,(H,26,27)(H,29,30)/t19-/m1/s1
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n/an/a 5.96n/an/an/an/an/a37



GENETECH, INC.; ARRAY BIOPHARMA INC.

US Patent


Assay Description
HepG2 cells were obtained from ATCC and grown in DMEM supplemented with 10% fetal bovine serum. Cells were plated in 96-well plates at 35,000 cells/w...


US Patent US9388171 (2016)


BindingDB Entry DOI: 10.7270/Q2ZC81SV
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1


(Homo sapiens (Human))
BDBM50111384
PNG
(CHEMBL3604794)
Show SMILES Oc1c(F)cc(cc1F)-c1cnccc1-c1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C21H18F2N2O2/c22-19-11-15(12-20(23)21(19)26)18-13-24-6-5-17(18)14-1-3-16(4-2-14)25-7-9-27-10-8-25/h1-6,11-13,26H,7-10H2
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n/an/a 6n/an/an/an/an/an/a



University of Colorado Anschutz Medical Campus

Curated by ChEMBL


Assay Description
Inhibition of RSK1 (unknown origin)


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115303
BindingDB Entry DOI: 10.7270/Q2XW4PCP
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1


(Homo sapiens (Human))
BDBM50111385
PNG
(CHEMBL3604793)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccncc1-c1cc(F)c(O)c(F)c1
Show InChI InChI=1S/C22H21F2N3O/c1-26-8-10-27(11-9-26)17-4-2-15(3-5-17)18-6-7-25-14-19(18)16-12-20(23)22(28)21(24)13-16/h2-7,12-14,28H,8-11H2,1H3
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n/an/a 6n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length recombinant His-tagged human RSK1 expressed in baculovirus expression system using biotin-labelled AGAGRSRHSSYPAGT-OH as su...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00969
BindingDB Entry DOI: 10.7270/Q2WD44DC
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1


(Homo sapiens (Human))
BDBM25005
PNG
(4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-(3-aminoprop...)
Show SMILES CCn1c(nc2c(ncc(OCCCN)c12)C#CCCO)-c1nonc1N
Show InChI InChI=1S/C17H21N7O3/c1-2-24-15-12(26-9-5-7-18)10-20-11(6-3-4-8-25)13(15)21-17(24)14-16(19)23-27-22-14/h10,25H,2,4-5,7-9,18H2,1H3,(H2,19,23)
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n/an/a 6n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...


J Med Chem 51: 5663-79 (2008)


Article DOI: 10.1021/jm8004527
BindingDB Entry DOI: 10.7270/Q29G5K3H
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1


(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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US Patent
n/an/a 6.80n/an/an/an/an/an/a



Taiho Pahrmaceutical Co., Ltd.

US Patent


Assay Description
Akt1 was prepared and assays of inhibitory activity of the compound according to the present invention against Akt1 kinase activity in vitro were con...


US Patent US10538528 (2020)


BindingDB Entry DOI: 10.7270/Q2MK6G95
More data for this
Ligand-Target Pair
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