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Compile Data Set for Download or QSAR

Found 364 hits Enz. Inhib. hit(s) with Target = 'Ribosomal protein S6 kinase alpha 5' AND taxid = 9606   
Target
(Institution)
LigandTarget
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 5


(Homo sapiens (human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of MSK1


Citation and Details
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 5


(Homo sapiens (human))
BDBM50224883
PNG
(7-chloro-3-oxo-8-[(thiazol-5-ylmethyl)-amino]-11,1...)
Show SMILES Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NCc1cncs1)n3
Show InChI InChI=1S/C20H18ClN7O3S/c21-13-5-15-17(6-14(13)24-9-12-8-23-11-32-12)30-3-1-2-4-31-19-16(7-22)25-10-18(27-19)28-20(29)26-15/h5-6,8,10-11,24H,1-4,9H2,(H2,26,27,28,29)
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>1.89E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MSK1


Citation and Details
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 5


(Homo sapiens (human))
BDBM31096
PNG
(CHEMBL290084 | Staurosporine | cid_451705)
Show SMILES CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
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+/m0/s1
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PCBioAssay
8.90E+5n/an/an/an/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


Citation and Details
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 5


(Homo sapiens (human))
BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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PCBioAssay
1.70E+6n/an/an/an/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


Citation and Details
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 5


(Homo sapiens (human))
BDBM24996
PNG
(4-{1-ethyl-7-[(piperidin-4-ylamino)methyl]-1H-imid...)
Show SMILES CCn1c(nc2cncc(CNC3CCNCC3)c12)-c1nonc1N
Show InChI InChI=1S/C16H22N8O/c1-2-24-14-10(8-20-11-3-5-18-6-4-11)7-19-9-12(14)21-16(24)13-15(17)23-25-22-13/h7,9,11,18,20H,2-6,8H2,1H3,(H2,17,23)
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n/an/a 0.5n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against MSK-1


Citation and Details
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 5


(Homo sapiens (human))
BDBM24994
PNG
(4-[1-ethyl-7-(piperidin-4-ylmethoxy)-1H-imidazo[4,...)
Show SMILES CCn1c(nc2cncc(OCC3CCNCC3)c12)-c1nonc1N
Show InChI InChI=1S/C16H21N7O2/c1-2-23-14-11(20-16(23)13-15(17)22-25-21-13)7-19-8-12(14)24-9-10-3-5-18-6-4-10/h7-8,10,18H,2-6,9H2,1H3,(H2,17,22)
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n/an/a 1n/an/an/an/a7.530



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...


Citation and Details
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 5


(Homo sapiens (human))
BDBM50168854
PNG
(4-(1-Ethyl-7-piperazin-1-ylmethyl-1H-imidazo[4,5-c...)
Show SMILES CCn1c(nc2cncc(CN3CCNCC3)c12)-c1nonc1N
Show InChI InChI=1S/C15H20N8O/c1-2-23-13-10(9-22-5-3-17-4-6-22)7-18-8-11(13)19-15(23)12-14(16)21-24-20-12/h7-8,17H,2-6,9H2,1H3,(H2,16,21)
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n/an/a 1.40n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against MSK-1


Citation and Details
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 5


(Homo sapiens (human))
BDBM50168577
PNG
(4-(1-Cyclopropyl-1H-imidazo[4,5-c]pyridin-2-yl)-fu...)
Show SMILES Nc1nonc1-c1nc2cnccc2n1C1CC1
Show InChI InChI=1S/C11H10N6O/c12-10-9(15-18-16-10)11-14-7-5-13-4-3-8(7)17(11)6-1-2-6/h3-6H,1-2H2,(H2,12,16)
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n/an/a 1.5n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against MSK-1


Citation and Details
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 5


(Homo sapiens (human))
BDBM50168577
PNG
(4-(1-Cyclopropyl-1H-imidazo[4,5-c]pyridin-2-yl)-fu...)
Show SMILES Nc1nonc1-c1nc2cnccc2n1C1CC1
Show InChI InChI=1S/C11H10N6O/c12-10-9(15-18-16-10)11-14-7-5-13-4-3-8(7)17(11)6-1-2-6/h3-6H,1-2H2,(H2,12,16)
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n/an/a 1.80n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration exhibited towards MSK-1


Citation and Details
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 5


(Homo sapiens (human))
BDBM50168858
PNG
((R,S)-4-(1-Piperidin-3-yl-1H-imidazo[4,5-c]pyridin...)
Show SMILES Nc1nonc1-c1nc2cnccc2n1C1CCCNC1
Show InChI InChI=1S/C13H15N7O/c14-12-11(18-21-19-12)13-17-9-7-16-5-3-10(9)20(13)8-2-1-4-15-6-8/h3,5,7-8,15H,1-2,4,6H2,(H2,14,19)
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n/an/a 2n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against MSK-1


Citation and Details
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 5


(Homo sapiens (human))
BDBM50168856
PNG
(4-[1-(3-Aminomethyl-phenyl)-1H-imidazo[4,5-c]pyrid...)
Show SMILES NCc1cccc(c1)-n1c(nc2cnccc12)-c1nonc1N
Show InChI InChI=1S/C15H13N7O/c16-7-9-2-1-3-10(6-9)22-12-4-5-18-8-11(12)19-15(22)13-14(17)21-23-20-13/h1-6,8H,7,16H2,(H2,17,21)
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n/an/a 2.5n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against MSK-1


Citation and Details
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 5


(Homo sapiens (human))
BDBM24991
PNG
(4-(7-{[(3R)-3-aminopyrrolidin-1-yl]carbonyl}-1-eth...)
Show SMILES CCn1c(nc2cncc(C(=O)N3CC[C@@H](N)C3)c12)-c1nonc1N
Show InChI InChI=1S/C15H18N8O2/c1-2-23-12-9(15(24)22-4-3-8(16)7-22)5-18-6-10(12)19-14(23)11-13(17)21-25-20-11/h5-6,8H,2-4,7,16H2,1H3,(H2,17,21)/t8-/m1/s1
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n/an/a 3n/an/an/an/a7.530



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...


Citation and Details
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 5


(Homo sapiens (human))
BDBM14032
PNG
(4-(1-ethyl-1H-imidazo[4,5-c]pyridin-2-yl)-1,2,5-ox...)
Show SMILES CCn1c(nc2cnccc12)-c1nonc1N
Show InChI InChI=1S/C10H10N6O/c1-2-16-7-3-4-12-5-6(7)13-10(16)8-9(11)15-17-14-8/h3-5H,2H2,1H3,(H2,11,15)
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n/an/a 3n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration exhibited towards MSK-1


Citation and Details
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 5


(Homo sapiens (human))
BDBM50168869
PNG
(1-[2-(4-Amino-furazan-3-yl)-1-ethyl-1H-imidazo[4,5...)
Show SMILES CCn1c(nc2cncc(CN3CCC(N)CC3)c12)-c1nonc1N
Show InChI InChI=1S/C16H22N8O/c1-2-24-14-10(9-23-5-3-11(17)4-6-23)7-19-8-12(14)20-16(24)13-15(18)22-25-21-13/h7-8,11H,2-6,9,17H2,1H3,(H2,18,22)
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n/an/a 3n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against MSK-1


Citation and Details
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 5


(Homo sapiens (human))
BDBM14032
PNG
(4-(1-ethyl-1H-imidazo[4,5-c]pyridin-2-yl)-1,2,5-ox...)
Show SMILES CCn1c(nc2cnccc12)-c1nonc1N
Show InChI InChI=1S/C10H10N6O/c1-2-16-7-3-4-12-5-6(7)13-10(16)8-9(11)15-17-14-8/h3-5H,2H2,1H3,(H2,11,15)
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n/an/a 3n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against MSK-1


Citation and Details
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 5


(Homo sapiens (human))
BDBM50168587
PNG
(4-(1-Cyclohexyl-1H-imidazo[4,5-c]pyridin-2-yl)-fur...)
Show SMILES Nc1nonc1-c1nc2cnccc2n1C1CCCCC1
Show InChI InChI=1S/C14H16N6O/c15-13-12(18-21-19-13)14-17-10-8-16-7-6-11(10)20(14)9-4-2-1-3-5-9/h6-9H,1-5H2,(H2,15,19)
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n/an/a 3n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against MSK-1


Citation and Details
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 5


(Homo sapiens (human))
BDBM50168587
PNG
(4-(1-Cyclohexyl-1H-imidazo[4,5-c]pyridin-2-yl)-fur...)
Show SMILES Nc1nonc1-c1nc2cnccc2n1C1CCCCC1
Show InChI InChI=1S/C14H16N6O/c15-13-12(18-21-19-13)14-17-10-8-16-7-6-11(10)20(14)9-4-2-1-3-5-9/h6-9H,1-5H2,(H2,15,19)
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n/an/a 3n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration exhibited towards MSK-1


Citation and Details
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 5


(Homo sapiens (human))
BDBM50168861
PNG
(4-(4-Chloro-1-ethyl-1H-imidazo[4,5-c]pyridin-2-yl)...)
Show SMILES CCn1c(nc2c(Cl)nccc12)-c1nonc1N
Show InChI InChI=1S/C10H9ClN6O/c1-2-17-5-3-4-13-8(11)6(5)14-10(17)7-9(12)16-18-15-7/h3-4H,2H2,1H3,(H2,12,16)
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n/an/a 4n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against MSK-1


Citation and Details
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 5


(Homo sapiens (human))
BDBM50168862
PNG
(4-[1-(4-Aminomethyl-phenyl)-1H-imidazo[4,5-c]pyrid...)
Show SMILES NCc1ccc(cc1)-n1c(nc2cnccc12)-c1nonc1N
Show InChI InChI=1S/C15H13N7O/c16-7-9-1-3-10(4-2-9)22-12-5-6-18-8-11(12)19-15(22)13-14(17)21-23-20-13/h1-6,8H,7,16H2,(H2,17,21)
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n/an/a 4n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against MSK-1


Citation and Details
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 5


(Homo sapiens (human))
BDBM50431812
PNG
(CHEMBL2347053)
Show SMILES [O-][N+](=O)c1ccccc1-c1n[nH]cc1C=C1C(=O)Nc2ccccc12
Show InChI InChI=1S/C18H12N4O3/c23-18-14(12-5-1-3-7-15(12)20-18)9-11-10-19-21-17(11)13-6-2-4-8-16(13)22(24)25/h1-10H,(H,19,21)(H,20,23)
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n/an/a 4n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of MSK1 (unknown origin) after 10 mins by mobility shift assay


Citation and Details
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 5


(Homo sapiens (human))
BDBM50168581
PNG
(4-(1-Phenyl-1H-imidazo[4,5-c]pyridin-2-yl)-furazan...)
Show SMILES Nc1nonc1-c1nc2cnccc2n1-c1ccccc1
Show InChI InChI=1S/C14H10N6O/c15-13-12(18-21-19-13)14-17-10-8-16-7-6-11(10)20(14)9-4-2-1-3-5-9/h1-8H,(H2,15,19)
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n/an/a 6n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against MSK-1


Citation and Details
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 5


(Homo sapiens (human))
BDBM50168853
PNG
(4-(1-Ethyl-7-piperidin-1-ylmethyl-1H-imidazo[4,5-c...)
Show SMILES CCn1c(nc2cncc(CN3CCCCC3)c12)-c1nonc1N
Show InChI InChI=1S/C16H21N7O/c1-2-23-14-11(10-22-6-4-3-5-7-22)8-18-9-12(14)19-16(23)13-15(17)21-24-20-13/h8-9H,2-7,10H2,1H3,(H2,17,21)
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n/an/a 7n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against MSK-1


Citation and Details
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 5


(Homo sapiens (human))
BDBM3175
PNG
(3-[1-[3-(Amidinothio)propyl]-3-indolyl]-4-(1-methy...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCSC(N)=N)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C25H23N5O2S/c1-29-13-17(15-7-2-4-9-19(15)29)21-22(24(32)28-23(21)31)18-14-30(11-6-12-33-25(26)27)20-10-5-3-8-16(18)20/h2-5,7-10,13-14H,6,11-12H2,1H3,(H3,26,27)(H,28,31,32)
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n/an/a 8n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human MSK1 expressed in Sf9 cells


Biochem J 351: 95-105 (2001)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 5


(Homo sapiens (human))
BDBM24996
PNG
(4-{1-ethyl-7-[(piperidin-4-ylamino)methyl]-1H-imid...)
Show SMILES CCn1c(nc2cncc(CNC3CCNCC3)c12)-c1nonc1N
Show InChI InChI=1S/C16H22N8O/c1-2-24-14-10(8-20-11-3-5-18-6-4-11)7-19-9-12(14)21-16(24)13-15(17)23-25-22-13/h7,9,11,18,20H,2-6,8H2,1H3,(H2,17,23)
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n/an/a 8n/an/an/an/a7.530



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...


Citation and Details
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 5


(Homo sapiens (human))
BDBM50168866
PNG
(4-(1-Ethyl-4-methyl-1H-imidazo[4,5-c]pyridin-2-yl)...)
Show SMILES CCn1c(nc2c(C)nccc12)-c1nonc1N
Show InChI InChI=1S/C11H12N6O/c1-3-17-7-4-5-13-6(2)8(7)14-11(17)9-10(12)16-18-15-9/h4-5H,3H2,1-2H3,(H2,12,16)
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n/an/a 8n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against MSK-1


Citation and Details
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 5


(Homo sapiens (human))
BDBM50168867
PNG
(4-(7-Bromo-1-ethyl-1H-imidazo[4,5-c]pyridin-2-yl)-...)
Show SMILES CCn1c(nc2cncc(Br)c12)-c1nonc1N
Show InChI InChI=1S/C10H9BrN6O/c1-2-17-8-5(11)3-13-4-6(8)14-10(17)7-9(12)16-18-15-7/h3-4H,2H2,1H3,(H2,12,16)
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n/an/a 9n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against MSK-1


Citation and Details
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 5


(Homo sapiens (human))
BDBM50168864
PNG
((R,S)-4-[1-(2-Amino-1-methyl-ethyl)-1H-imidazo[4,5...)
Show SMILES CC(CN)n1c(nc2cnccc12)-c1nonc1N
Show InChI InChI=1S/C11H13N7O/c1-6(4-12)18-8-2-3-14-5-7(8)15-11(18)9-10(13)17-19-16-9/h2-3,5-6H,4,12H2,1H3,(H2,13,17)
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n/an/a 9n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against MSK-1


Citation and Details
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 5


(Homo sapiens (human))
BDBM50168581
PNG
(4-(1-Phenyl-1H-imidazo[4,5-c]pyridin-2-yl)-furazan...)
Show SMILES Nc1nonc1-c1nc2cnccc2n1-c1ccccc1
Show InChI InChI=1S/C14H10N6O/c15-13-12(18-21-19-13)14-17-10-8-16-7-6-11(10)20(14)9-4-2-1-3-5-9/h1-8H,(H2,15,19)
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n/an/a 11n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration exhibited towards MSK-1


Citation and Details
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 5


(Homo sapiens (human))
BDBM24993
PNG
(2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-(piperi...)
Show SMILES CCn1c(nc2cncc(C(=O)NC3CCCNC3)c12)-c1nonc1N
Show InChI InChI=1S/C16H20N8O2/c1-2-24-13-10(16(25)20-9-4-3-5-18-6-9)7-19-8-11(13)21-15(24)12-14(17)23-26-22-12/h7-9,18H,2-6H2,1H3,(H2,17,23)(H,20,25)
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n/an/a 11n/an/an/an/a7.530



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...


Citation and Details
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 5


(Homo sapiens (human))
BDBM50168578
PNG
(4-[1-(1-Amino-butyl)-1H-imidazo[4,5-c]pyridin-2-yl...)
Show SMILES CCCC(N)n1c(nc2cnccc12)-c1nonc1N
Show InChI InChI=1S/C12H15N7O/c1-2-3-9(13)19-8-4-5-15-6-7(8)16-12(19)10-11(14)18-20-17-10/h4-6,9H,2-3,13H2,1H3,(H2,14,18)
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n/an/a 13n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration exhibited towards MSK-1


Citation and Details
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 5


(Homo sapiens (human))
BDBM24995
PNG
(2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-(piperi...)
Show SMILES CCn1c(nc2cncc(C(=O)NC3CCNCC3)c12)-c1nonc1N
Show InChI InChI=1S/C16H20N8O2/c1-2-24-13-10(16(25)20-9-3-5-18-6-4-9)7-19-8-11(13)21-15(24)12-14(17)23-26-22-12/h7-9,18H,2-6H2,1H3,(H2,17,23)(H,20,25)
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n/an/a 13n/an/an/an/a7.530



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...


Citation and Details
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 5


(Homo sapiens (human))
BDBM50168868
PNG
(4-[1-(4-Amino-butyl)-1H-imidazo[4,5-c]pyridin-2-yl...)
Show SMILES NCCCCn1c(nc2cnccc12)-c1nonc1N
Show InChI InChI=1S/C12H15N7O/c13-4-1-2-6-19-9-3-5-15-7-8(9)16-12(19)10-11(14)18-20-17-10/h3,5,7H,1-2,4,6,13H2,(H2,14,18)
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n/an/a 13n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against MSK-1


Citation and Details
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 5


(Homo sapiens (human))
BDBM50365218
PNG
(CHEMBL1956071 | GSK screening, 29)
Show SMILES CCn1c(nc2cncc(C(=O)N3CC[C@H](N)C3)c12)-c1nonc1N
Show InChI InChI=1S/C15H18N8O2/c1-2-23-12-9(15(24)22-4-3-8(16)7-22)5-18-6-10(12)19-14(23)11-13(17)21-25-20-11/h5-6,8H,2-4,7,16H2,1H3,(H2,17,21)/t8-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of MSK1


Citation and Details
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 5


(Homo sapiens (human))
BDBM24990
PNG
(2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-[2-(met...)
Show SMILES CCn1c(nc2cncc(C(=O)NCCNC)c12)-c1nonc1N
Show InChI InChI=1S/C14H18N8O2/c1-3-22-11-8(14(23)18-5-4-16-2)6-17-7-9(11)19-13(22)10-12(15)21-24-20-10/h6-7,16H,3-5H2,1-2H3,(H2,15,21)(H,18,23)
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n/an/a 15n/an/an/an/a7.530



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...


Citation and Details
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 5


(Homo sapiens (human))
BDBM50168601
PNG
(4-(1-Piperidin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)...)
Show SMILES Nc1nonc1-c1nc2cnccc2n1C1CCNCC1
Show InChI InChI=1S/C13H15N7O/c14-12-11(18-21-19-12)13-17-9-7-16-6-3-10(9)20(13)8-1-4-15-5-2-8/h3,6-8,15H,1-2,4-5H2,(H2,14,19)
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n/an/a 17n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration exhibited towards MSK-1


Citation and Details
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 5


(Homo sapiens (human))
BDBM50168601
PNG
(4-(1-Piperidin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)...)
Show SMILES Nc1nonc1-c1nc2cnccc2n1C1CCNCC1
Show InChI InChI=1S/C13H15N7O/c14-12-11(18-21-19-12)13-17-9-7-16-6-3-10(9)20(13)8-1-4-15-5-2-8/h3,6-8,15H,1-2,4-5H2,(H2,14,19)
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n/an/a 17n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against MSK-1


Citation and Details
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 5


(Homo sapiens (human))
BDBM50168594
PNG
(2-(4-Amino-furazan-3-yl)-1-ethyl-1H-benzoimidazol-...)
Show SMILES CCn1c(nc2cc(O)ccc12)-c1nonc1N
Show InChI InChI=1S/C11H11N5O2/c1-2-16-8-4-3-6(17)5-7(8)13-11(16)9-10(12)15-18-14-9/h3-5,17H,2H2,1H3,(H2,12,15)
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n/an/a 17n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration exhibited towards MSK-1


Citation and Details
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 5


(Homo sapiens (human))
BDBM50168576
PNG
(3-(1-Ethyl-1H-imidazo[4,5-c]pyridin-2-yl)-pyrazin-...)
Show SMILES CCn1c(nc2cnccc12)-c1nccnc1N
Show InChI InChI=1S/C12H12N6/c1-2-18-9-3-4-14-7-8(9)17-12(18)10-11(13)16-6-5-15-10/h3-7H,2H2,1H3,(H2,13,16)
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n/an/a 20n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration exhibited towards MSK-1


Citation and Details
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 5


(Homo sapiens (human))
BDBM24989
PNG
(4-[1-ethyl-7-(piperidin-4-yloxy)-1H-imidazo[4,5-c]...)
Show SMILES CCn1c(nc2cncc(OC3CCNCC3)c12)-c1nonc1N
Show InChI InChI=1S/C15H19N7O2/c1-2-22-13-10(19-15(22)12-14(16)21-24-20-12)7-18-8-11(13)23-9-3-5-17-6-4-9/h7-9,17H,2-6H2,1H3,(H2,16,21)
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n/an/a 21n/an/an/an/an/an/a



Schering-Plough

Curated by ChEMBL


Assay Description
Inhibition of MSK1


Citation and Details
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 5


(Homo sapiens (human))
BDBM24989
PNG
(4-[1-ethyl-7-(piperidin-4-yloxy)-1H-imidazo[4,5-c]...)
Show SMILES CCn1c(nc2cncc(OC3CCNCC3)c12)-c1nonc1N
Show InChI InChI=1S/C15H19N7O2/c1-2-22-13-10(19-15(22)12-14(16)21-24-20-12)7-18-8-11(13)23-9-3-5-17-6-4-9/h7-9,17H,2-6H2,1H3,(H2,16,21)
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n/an/a 21n/an/an/an/a7.530



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...


Citation and Details
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 5


(Homo sapiens (human))
BDBM50168859
PNG
(4-[1-(3-Amino-propyl)-1H-imidazo[4,5-c]pyridin-2-y...)
Show SMILES NCCCn1c(nc2cnccc12)-c1nonc1N
Show InChI InChI=1S/C11H13N7O/c12-3-1-5-18-8-2-4-14-6-7(8)15-11(18)9-10(13)17-19-16-9/h2,4,6H,1,3,5,12H2,(H2,13,17)
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n/an/a 22n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against MSK-1


Citation and Details
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 5


(Homo sapiens (human))
BDBM50168595
PNG
(4-(1-Ethyl-5-fluoro-1H-benzoimidazol-2-yl)-furazan...)
Show SMILES CCn1c(nc2cc(F)ccc12)-c1nonc1N
Show InChI InChI=1S/C11H10FN5O/c1-2-17-8-4-3-6(12)5-7(8)14-11(17)9-10(13)16-18-15-9/h3-5H,2H2,1H3,(H2,13,16)
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n/an/a 38n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration exhibited towards MSK-1


Citation and Details
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 5


(Homo sapiens (human))
BDBM24992
PNG
(4-[1-ethyl-7-(piperazin-1-ylcarbonyl)-1H-imidazo[4...)
Show SMILES CCn1c(nc2cncc(C(=O)N3CCNCC3)c12)-c1nonc1N
Show InChI InChI=1S/C15H18N8O2/c1-2-23-12-9(15(24)22-5-3-17-4-6-22)7-18-8-10(12)19-14(23)11-13(16)21-25-20-11/h7-8,17H,2-6H2,1H3,(H2,16,21)
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n/an/a 47n/an/an/an/a7.530



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...


Citation and Details
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 5


(Homo sapiens (human))
BDBM14047
PNG
(Aminofurazanyl-azabenzimidazole 6n | N-(3-{[2-(4-a...)
Show SMILES CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc12)-c1nonc1N
Show InChI InChI=1S/C29H30N8O5/c1-2-37-24-17-25(31-18-23(24)33-28(37)26-27(30)35-42-34-26)41-22-5-3-4-20(16-22)32-29(38)19-6-8-21(9-7-19)40-15-12-36-10-13-39-14-11-36/h3-9,16-18H,2,10-15H2,1H3,(H2,30,35)(H,32,38)
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n/an/a 49n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of MSK1


Citation and Details
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 5


(Homo sapiens (human))
BDBM50168586
PNG
(4-(1-Ethyl-1H-imidazo[4,5-c]pyridin-2-yl)-5-methyl...)
Show SMILES CCn1c(nc2cnccc12)-c1c(C)[nH]nc1N
Show InChI InChI=1S/C12H14N6/c1-3-18-9-4-5-14-6-8(9)15-12(18)10-7(2)16-17-11(10)13/h4-6H,3H2,1-2H3,(H3,13,16,17)
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n/an/a 55n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration exhibited towards MSK-1


Citation and Details
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 5


(Homo sapiens (human))
BDBM27249
PNG
(ARC-903 | N-[(1R)-4-carbamimidamido-1-{[(1R)-4-car...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)CCCCCNCCNS(=O)(=O)c1cccc2cnccc12)C(N)=O
Show InChI InChI=1S/C53H96N28O9S/c54-42(83)34(12-5-22-69-48(55)56)77-44(85)36(14-7-24-71-50(59)60)79-46(87)38(16-9-26-73-52(63)64)81-47(88)39(17-10-27-74-53(65)66)80-45(86)37(15-8-25-72-51(61)62)78-43(84)35(13-6-23-70-49(57)58)76-41(82)19-2-1-3-21-67-29-30-75-91(89,90)40-18-4-11-32-31-68-28-20-33(32)40/h4,11,18,20,28,31,34-39,67,75H,1-3,5-10,12-17,19,21-27,29-30H2,(H2,54,83)(H,76,82)(H,77,85)(H,78,84)(H,79,87)(H,80,86)(H,81,88)(H4,55,56,69)(H4,57,58,70)(H4,59,60,71)(H4,61,62,72)(H4,63,64,73)(H4,65,66,74)/t34-,35-,36-,37-,38-,39-/m1/s1
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n/an/a 81n/an/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Displacement of fluorescent-ARC-583/ARC-1042/ARC-1059 from His6-tagged recombinant human MSK1 by fluorescence anisotropy assay


Citation and Details
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 5


(Homo sapiens (human))
BDBM27249
PNG
(ARC-903 | N-[(1R)-4-carbamimidamido-1-{[(1R)-4-car...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)CCCCCNCCNS(=O)(=O)c1cccc2cnccc12)C(N)=O
Show InChI InChI=1S/C53H96N28O9S/c54-42(83)34(12-5-22-69-48(55)56)77-44(85)36(14-7-24-71-50(59)60)79-46(87)38(16-9-26-73-52(63)64)81-47(88)39(17-10-27-74-53(65)66)80-45(86)37(15-8-25-72-51(61)62)78-43(84)35(13-6-23-70-49(57)58)76-41(82)19-2-1-3-21-67-29-30-75-91(89,90)40-18-4-11-32-31-68-28-20-33(32)40/h4,11,18,20,28,31,34-39,67,75H,1-3,5-10,12-17,19,21-27,29-30H2,(H2,54,83)(H,76,82)(H,77,85)(H,78,84)(H,79,87)(H,80,86)(H,81,88)(H4,55,56,69)(H4,57,58,70)(H4,59,60,71)(H4,61,62,72)(H4,63,64,73)(H4,65,66,74)/t34-,35-,36-,37-,38-,39-/m1/s1
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n/an/a 81n/an/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Displacement of fluorescent-ARC-583/ARC-1042/ARC-1059 from His6-tagged recombinant human MSK1 by fluorescence anisotropy assay


Citation and Details
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 5


(Homo sapiens (human))
BDBM50168589
PNG
(3-(1-Ethyl-1H-imidazo[4,5-c]pyridin-2-yl)-pyridin-...)
Show SMILES CCn1c(nc2cnccc12)-c1cccnc1N
Show InChI InChI=1S/C13H13N5/c1-2-18-11-5-7-15-8-10(11)17-13(18)9-4-3-6-16-12(9)14/h3-8H,2H2,1H3,(H2,14,16)
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n/an/a 107n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration exhibited towards MSK-1


Citation and Details
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 5


(Homo sapiens (human))
BDBM15211
PNG
(CHEMBL104264 | H-89 | H89 | HT-89 (H-89) | N-(2-{[...)
Show SMILES Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1
Show InChI InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+
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n/an/a 120n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human MSK1 expressed in Sf9 cells


Biochem J 351: 95-105 (2001)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 5


(Homo sapiens (human))
BDBM50168582
PNG
(4-(1-Methyl-1H-imidazo[4,5-c]pyridin-2-yl)-furazan...)
Show SMILES Cn1c(nc2cnccc12)-c1nonc1N
Show InChI InChI=1S/C9H8N6O/c1-15-6-2-3-11-4-5(6)12-9(15)7-8(10)14-16-13-7/h2-4H,1H3,(H2,10,14)
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n/an/a 126n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration exhibited towards MSK-1


Citation and Details
More data for this
Ligand-Target Pair
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