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Compile Data Set for Download or QSAR

Found 19 hits Enz. Inhib. hit(s) with Target = 'Ribosomal protein S6 kinase beta-2'   
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 beta-2


(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 0.726n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human p70S6Kb using KKRNRTLTK 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 beta-2


(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 2.40n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of human p70S6Kb using KKRNRTLTK 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 beta-2


(Homo sapiens (Human))
BDBM50168247
PNG
(2,3-Di-thiophen-2-yl-benzo[g]quinoxaline-7-carboxy...)
Show SMILES OC(=O)c1ccc2cc3nc(-c4cccs4)c(nc3cc2c1)-c1cccs1
Show InChI InChI=1S/C21H12N2O2S2/c24-21(25)13-6-5-12-10-15-16(11-14(12)9-13)23-20(18-4-2-8-27-18)19(22-15)17-3-1-7-26-17/h1-11H,(H,24,25)
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n/an/a 40n/an/an/an/an/an/a



Semmelweis University

Curated by ChEMBL


Assay Description
In vitro inhibition of SR protein kinase 1 by compound dissolved in 100% DMSO using 5'-[gamma-33P]-triphosphate


Bioorg Med Chem Lett 15: 3241-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.064
BindingDB Entry DOI: 10.7270/Q2W37VVX
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase beta-2


(Homo sapiens (Human))
BDBM50168248
PNG
(CHEMBL192909 | {5-[3-(4-Carboxymethyl-thiophen-2-y...)
Show SMILES OC(=O)Cc1csc(c1)-c1nc2cc3ccccc3cc2nc1-c1cc(CC(O)=O)cs1
Show InChI InChI=1S/C24H16N2O4S2/c27-21(28)7-13-5-19(31-11-13)23-24(20-6-14(12-32-20)8-22(29)30)26-18-10-16-4-2-1-3-15(16)9-17(18)25-23/h1-6,9-12H,7-8H2,(H,27,28)(H,29,30)
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n/an/a 640n/an/an/an/an/an/a



Semmelweis University

Curated by ChEMBL


Assay Description
In vitro inhibition of SR protein kinase 1 by compound dissolved in 100% DMSO using 5'-[gamma-33P]-triphosphate


Bioorg Med Chem Lett 15: 3241-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.064
BindingDB Entry DOI: 10.7270/Q2W37VVX
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase beta-2


(Homo sapiens (Human))
BDBM50168244
PNG
(4-(5-{3-[5-(3-Carboxy-propyl)-thiophen-2-yl]-benzo...)
Show SMILES OC(=O)CCCc1ccc(s1)-c1nc2cc3ccccc3cc2nc1-c1ccc(CCCC(O)=O)s1
Show InChI InChI=1S/C28H24N2O4S2/c31-25(32)9-3-7-19-11-13-23(35-19)27-28(24-14-12-20(36-24)8-4-10-26(33)34)30-22-16-18-6-2-1-5-17(18)15-21(22)29-27/h1-2,5-6,11-16H,3-4,7-10H2,(H,31,32)(H,33,34)
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n/an/a 820n/an/an/an/an/an/a



Semmelweis University

Curated by ChEMBL


Assay Description
In vitro inhibition of SR protein kinase 1 by compound dissolved in 100% DMSO using 5'-[gamma-33P]-triphosphate


Bioorg Med Chem Lett 15: 3241-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.064
BindingDB Entry DOI: 10.7270/Q2W37VVX
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase beta-2


(Homo sapiens (Human))
BDBM50168242
PNG
(3-(5-{3-[5-(2-Carboxy-ethyl)-thiophen-2-yl]-benzo[...)
Show SMILES OC(=O)CCc1ccc(s1)-c1nc2cc3ccccc3cc2nc1-c1ccc(CCC(O)=O)s1
Show InChI InChI=1S/C26H20N2O4S2/c29-23(30)11-7-17-5-9-21(33-17)25-26(22-10-6-18(34-22)8-12-24(31)32)28-20-14-16-4-2-1-3-15(16)13-19(20)27-25/h1-6,9-10,13-14H,7-8,11-12H2,(H,29,30)(H,31,32)
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n/an/a 870n/an/an/an/an/an/a



Semmelweis University

Curated by ChEMBL


Assay Description
In vitro inhibition of SR protein kinase 1 by compound dissolved in 100% DMSO using 5'-[gamma-33P]-triphosphate


Bioorg Med Chem Lett 15: 3241-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.064
BindingDB Entry DOI: 10.7270/Q2W37VVX
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase beta-2


(Homo sapiens (Human))
BDBM50168241
PNG
(6,7-Di-thiophen-2-yl-2,3-dihydro-1,4-dioxa-5,8-dia...)
Show SMILES OC(=O)C1COc2cc3nc(-c4cccs4)c(nc3cc2O1)-c1cccs1
Show InChI InChI=1S/C19H12N2O4S2/c22-19(23)14-9-24-12-7-10-11(8-13(12)25-14)21-18(16-4-2-6-27-16)17(20-10)15-3-1-5-26-15/h1-8,14H,9H2,(H,22,23)
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n/an/a 950n/an/an/an/an/an/a



Semmelweis University

Curated by ChEMBL


Assay Description
In vitro inhibition of SR protein kinase 1 by compound dissolved in 100% DMSO using 5'-[gamma-33P]-triphosphate


Bioorg Med Chem Lett 15: 3241-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.064
BindingDB Entry DOI: 10.7270/Q2W37VVX
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase beta-2


(Homo sapiens (Human))
BDBM50168239
PNG
(7,8-Dimethoxy-2,3-di-thiophen-2-yl-pyrazino[2,3-b]...)
Show SMILES COc1cc2nc3nc(-c4cccs4)c(nc3nc2cc1OC)-c1cccs1
Show InChI InChI=1S/C20H14N4O2S2/c1-25-13-9-11-12(10-14(13)26-2)22-20-19(21-11)23-17(15-5-3-7-27-15)18(24-20)16-6-4-8-28-16/h3-10H,1-2H3
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n/an/a 1.14E+3n/an/an/an/an/an/a



Semmelweis University

Curated by ChEMBL


Assay Description
In vitro inhibition of SR protein kinase 1 by compound dissolved in 100% DMSO using 5'-[gamma-33P]-triphosphate


Bioorg Med Chem Lett 15: 3241-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.064
BindingDB Entry DOI: 10.7270/Q2W37VVX
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase beta-2


(Homo sapiens (Human))
BDBM50168236
PNG
(CHEMBL193162 | {5-[3-(5-Carboxymethyl-thiophen-2-y...)
Show SMILES OC(=O)Cc1ccc(s1)-c1nc2cc3ccccc3cc2nc1-c1ccc(CC(O)=O)s1
Show InChI InChI=1S/C24H16N2O4S2/c27-21(28)11-15-5-7-19(31-15)23-24(20-8-6-16(32-20)12-22(29)30)26-18-10-14-4-2-1-3-13(14)9-17(18)25-23/h1-10H,11-12H2,(H,27,28)(H,29,30)
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n/an/a 1.28E+3n/an/an/an/an/an/a



Semmelweis University

Curated by ChEMBL


Assay Description
In vitro inhibition of SR protein kinase 1 by compound dissolved in 100% DMSO using 5'-[gamma-33P]-triphosphate


Bioorg Med Chem Lett 15: 3241-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.064
BindingDB Entry DOI: 10.7270/Q2W37VVX
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase beta-2


(Homo sapiens (Human))
BDBM50168235
PNG
(2,3-Di-thiophen-2-yl-benzo[g]quinoxaline | CHEMBL3...)
Show SMILES c1csc(c1)-c1nc2cc3ccccc3cc2nc1-c1cccs1
Show InChI InChI=1S/C20H12N2S2/c1-2-6-14-12-16-15(11-13(14)5-1)21-19(17-7-3-9-23-17)20(22-16)18-8-4-10-24-18/h1-12H
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n/an/a 1.36E+3n/an/an/an/an/an/a



Semmelweis University

Curated by ChEMBL


Assay Description
In vitro inhibition of SR protein kinase 1 by compound dissolved in 100% DMSO using 5'-[gamma-33P]-triphosphate


Bioorg Med Chem Lett 15: 3241-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.064
BindingDB Entry DOI: 10.7270/Q2W37VVX
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase beta-2


(Homo sapiens (Human))
BDBM50583520
PNG
(CHEMBL5094006)
Show SMILES CCc1cccc(CC)c1NC(=O)c1ccn-2c1CCc1cnc(Nc3ccc(cc3NC(=O)C=C)N3CCN(C)CC3)nc-21
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n/an/a 1.65E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant P70S6Kbeta expressed in Sf9 insect cells using [KKRNRTLTK] as substrate in presence of [33P]-ATP by radiometric hotsp...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01165
BindingDB Entry DOI: 10.7270/Q2T157JC
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase beta-2


(Homo sapiens (Human))
BDBM50168243
PNG
(3-(5-{3-[5-(2-Methoxycarbonyl-ethyl)-thiophen-2-yl...)
Show SMILES COC(=O)CCc1ccc(s1)-c1nc2cc3ccccc3cc2nc1-c1ccc(CCC(=O)OC)s1
Show InChI InChI=1S/C28H24N2O4S2/c1-33-25(31)13-9-19-7-11-23(35-19)27-28(24-12-8-20(36-24)10-14-26(32)34-2)30-22-16-18-6-4-3-5-17(18)15-21(22)29-27/h3-8,11-12,15-16H,9-10,13-14H2,1-2H3
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n/an/a 6.13E+3n/an/an/an/an/an/a



Semmelweis University

Curated by ChEMBL


Assay Description
In vitro inhibition of SR protein kinase 1 by compound dissolved in 100% DMSO using 5'-[gamma-33P]-triphosphate


Bioorg Med Chem Lett 15: 3241-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.064
BindingDB Entry DOI: 10.7270/Q2W37VVX
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase beta-2


(Homo sapiens (Human))
BDBM50168246
PNG
(2,3-Di-thiophen-2-yl-quinoxaline-6,7-diol | CHEMBL...)
Show SMILES Oc1cc2nc(-c3cccs3)c(nc2cc1O)-c1cccs1
Show InChI InChI=1S/C16H10N2O2S2/c19-11-7-9-10(8-12(11)20)18-16(14-4-2-6-22-14)15(17-9)13-3-1-5-21-13/h1-8,19-20H
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n/an/a 9.61E+3n/an/an/an/an/an/a



Semmelweis University

Curated by ChEMBL


Assay Description
In vitro inhibition of SR protein kinase 1 by compound dissolved in 100% DMSO using 5'-[gamma-33P]-triphosphate


Bioorg Med Chem Lett 15: 3241-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.064
BindingDB Entry DOI: 10.7270/Q2W37VVX
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase beta-2


(Homo sapiens (Human))
BDBM50168249
PNG
(5-[3-(5-carboxythien-2-yl)benzo[g]quinoxalin-2-yl]...)
Show SMILES OC(=O)c1ccc(s1)-c1nc2cc3ccccc3cc2nc1-c1ccc(s1)C(O)=O
Show InChI InChI=1S/C22H12N2O4S2/c25-21(26)17-7-5-15(29-17)19-20(16-6-8-18(30-16)22(27)28)24-14-10-12-4-2-1-3-11(12)9-13(14)23-19/h1-10H,(H,25,26)(H,27,28)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Semmelweis University

Curated by ChEMBL


Assay Description
In vitro inhibition of SR protein kinase 1 by compound dissolved in 100% DMSO using 5'-[gamma-33P]-triphosphate


Bioorg Med Chem Lett 15: 3241-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.064
BindingDB Entry DOI: 10.7270/Q2W37VVX
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase beta-2


(Homo sapiens (Human))
BDBM50135286
PNG
(CHEMBL3745885)
Show SMILES Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
Show InChI InChI=1S/C22H15F2N5O3S/c1-29-20-13(9-19(21(29)30)33(31,32)18-5-2-14(23)10-16(18)24)11-26-22(28-20)27-15-3-4-17-12(8-15)6-7-25-17/h2-11,25H,1H3,(H,26,27,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of human RPS6KB2 using [KKRNRTLTK] as substrate


Bioorg Med Chem 24: 521-44 (2016)


Article DOI: 10.1016/j.bmc.2015.11.045
BindingDB Entry DOI: 10.7270/Q24Q7WT8
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase beta-2


(Homo sapiens (Human))
BDBM50168250
PNG
(CHEMBL192974 | {5-[3-(4-Methoxycarbonylmethyl-thio...)
Show SMILES COC(=O)Cc1csc(c1)-c1nc2cc3ccccc3cc2nc1-c1cc(CC(=O)OC)cs1
Show InChI InChI=1S/C26H20N2O4S2/c1-31-23(29)9-15-7-21(33-13-15)25-26(22-8-16(14-34-22)10-24(30)32-2)28-20-12-18-6-4-3-5-17(18)11-19(20)27-25/h3-8,11-14H,9-10H2,1-2H3
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n/an/a 1.18E+4n/an/an/an/an/an/a



Semmelweis University

Curated by ChEMBL


Assay Description
In vitro inhibition of SR protein kinase 1 by compound dissolved in 100% DMSO using 5'-[gamma-33P]-triphosphate


Bioorg Med Chem Lett 15: 3241-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.064
BindingDB Entry DOI: 10.7270/Q2W37VVX
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase beta-2


(Homo sapiens (Human))
BDBM50168238
PNG
(6,7-Dimethoxy-2,3-di-thiophen-2-yl-quinoxaline | C...)
Show SMILES COc1cc2nc(-c3cccs3)c(nc2cc1OC)-c1cccs1
Show InChI InChI=1S/C18H14N2O2S2/c1-21-13-9-11-12(10-14(13)22-2)20-18(16-6-4-8-24-16)17(19-11)15-5-3-7-23-15/h3-10H,1-2H3
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n/an/a 1.63E+4n/an/an/an/an/an/a



Semmelweis University

Curated by ChEMBL


Assay Description
In vitro inhibition of SR protein kinase 1 by compound dissolved in 100% DMSO using 5'-[gamma-33P]-triphosphate


Bioorg Med Chem Lett 15: 3241-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.064
BindingDB Entry DOI: 10.7270/Q2W37VVX
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase beta-2


(Homo sapiens (Human))
BDBM50168237
PNG
(6,7-Di-thiophen-2-yl-2,3-dihydro-1,4-dioxa-5,8-dia...)
Show SMILES C1COc2cc3nc(-c4cccs4)c(nc3cc2O1)-c1cccs1
Show InChI InChI=1S/C18H12N2O2S2/c1-3-15(23-7-1)17-18(16-4-2-8-24-16)20-12-10-14-13(9-11(12)19-17)21-5-6-22-14/h1-4,7-10H,5-6H2
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n/an/a 2.34E+4n/an/an/an/an/an/a



Semmelweis University

Curated by ChEMBL


Assay Description
In vitro inhibition of SR protein kinase 1 by compound dissolved in 100% DMSO using 5'-[gamma-33P]-triphosphate


Bioorg Med Chem Lett 15: 3241-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.064
BindingDB Entry DOI: 10.7270/Q2W37VVX
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase beta-2


(Homo sapiens (Human))
BDBM50168240
PNG
(6,7-Di-thiophen-2-yl-[1,3]dioxolo[4,5-g]quinoxalin...)
Show SMILES C1Oc2cc3nc(-c4cccs4)c(nc3cc2O1)-c1cccs1
Show InChI InChI=1S/C17H10N2O2S2/c1-3-14(22-5-1)16-17(15-4-2-6-23-15)19-11-8-13-12(20-9-21-13)7-10(11)18-16/h1-8H,9H2
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n/an/a 2.85E+4n/an/an/an/an/an/a



Semmelweis University

Curated by ChEMBL


Assay Description
In vitro inhibition of SR protein kinase 1 by compound dissolved in 100% DMSO using 5'-[gamma-33P]-triphosphate


Bioorg Med Chem Lett 15: 3241-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.064
BindingDB Entry DOI: 10.7270/Q2W37VVX
More data for this
Ligand-Target Pair