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PubMed code 21488662

Compile data set for download or QSAR
Found 18 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Ribosomal protein S6 kinase alpha-3


(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 |t:4|
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 10n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of RSK2 after 60 mins


J Med Chem 54: 3564-74 (2011)


Article DOI: 10.1021/jm200139j
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50248765
PNG
(1-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H-pyrrol...)
Show SMILES Cc1ccc(cc1)-c1c(C(=O)CF)n(CCCO)c2ncnc(N)c12
Show InChI InChI=1S/C18H19FN4O2/c1-11-3-5-12(6-4-11)14-15-17(20)21-10-22-18(15)23(7-2-8-24)16(14)13(25)9-19/h3-6,10,24H,2,7-9H2,1H3,(H2,20,21,22)
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n/an/a 15n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of RSK2 after 60 mins


J Med Chem 54: 3564-74 (2011)


Article DOI: 10.1021/jm200139j
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50343651
PNG
(2-(4-aminophenyl)-4-methyl-1H-benzo[d]imidazol-5-a...)
Show SMILES Cc1c(N)ccc2nc([nH]c12)-c1ccc(N)cc1
Show InChI InChI=1S/C14H14N4/c1-8-11(16)6-7-12-13(8)18-14(17-12)9-2-4-10(15)5-3-9/h2-7H,15-16H2,1H3,(H,17,18)
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n/an/a 320n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of RSK2 after 60 mins


J Med Chem 54: 3564-74 (2011)


Article DOI: 10.1021/jm200139j
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50343652
PNG
(4-((1H-benzo[d][1,2,3]triazol-1-yl)methylamino)phe...)
Show SMILES Oc1ccc(NCn2nnc3ccccc23)cc1
Show InChI InChI=1S/C13H12N4O/c18-11-7-5-10(6-8-11)14-9-17-13-4-2-1-3-12(13)15-16-17/h1-8,14,18H,9H2
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n/an/a 480n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of RSK2 after 60 mins


J Med Chem 54: 3564-74 (2011)


Article DOI: 10.1021/jm200139j
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50343653
PNG
(2-((4-morpholinophenylamino)methyl)isoindoline-1,3...)
Show SMILES O=C1N(CNc2ccc(cc2)N2CCOCC2)C(=O)c2ccccc12
Show InChI InChI=1S/C19H19N3O3/c23-18-16-3-1-2-4-17(16)19(24)22(18)13-20-14-5-7-15(8-6-14)21-9-11-25-12-10-21/h1-8,20H,9-13H2
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n/an/a 950n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of RSK2 after 60 mins


J Med Chem 54: 3564-74 (2011)


Article DOI: 10.1021/jm200139j
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50343654
PNG
(4-methyl-2-phenyl-1H-benzo[d]imidazol-6-amine | CH...)
Show SMILES Cc1cc(N)cc2[nH]c(nc12)-c1ccccc1
Show InChI InChI=1S/C14H13N3/c1-9-7-11(15)8-12-13(9)17-14(16-12)10-5-3-2-4-6-10/h2-8H,15H2,1H3,(H,16,17)
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n/an/a 1.06E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of RSK2 after 60 mins


J Med Chem 54: 3564-74 (2011)


Article DOI: 10.1021/jm200139j
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50343655
PNG
(4-amino-2-methyl-6-(6-methylbenzo[d]oxazol-2-yl)ph...)
Show SMILES Cc1ccc2nc(oc2c1)-c1cc(N)cc(C)c1O
Show InChI InChI=1S/C15H14N2O2/c1-8-3-4-12-13(5-8)19-15(17-12)11-7-10(16)6-9(2)14(11)18/h3-7,18H,16H2,1-2H3
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n/an/a 1.38E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of RSK2 after 60 mins


J Med Chem 54: 3564-74 (2011)


Article DOI: 10.1021/jm200139j
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50343656
PNG
(5-(2-(4-hydroxyphenyl)hydrazono)pyrimidine-2,4,6(1...)
Show SMILES Oc1ccc(cc1)N=Nc1c(O)[nH]c(=O)[nH]c1=O |w:8.9|
Show InChI InChI=1S/C10H8N4O4/c15-6-3-1-5(2-4-6)13-14-7-8(16)11-10(18)12-9(7)17/h1-4,15H,(H3,11,12,16,17,18)
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n/an/a 1.58E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of RSK2 after 60 mins


J Med Chem 54: 3564-74 (2011)


Article DOI: 10.1021/jm200139j
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50343657
PNG
(7-chloro-3-phenyl-2H-benzo[e][1,2,4]thiadiazine | ...)
Show SMILES Clc1ccc2N=C(NSc2c1)c1ccccc1 |c:5|
Show InChI InChI=1S/C13H9ClN2S/c14-10-6-7-11-12(8-10)17-16-13(15-11)9-4-2-1-3-5-9/h1-8H,(H,15,16)
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n/an/a 2.88E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of RSK2 after 60 mins


J Med Chem 54: 3564-74 (2011)


Article DOI: 10.1021/jm200139j
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50343658
PNG
(CHEMBL1775073 | N-(2-hydroxyphenyl)-1,2,3-thiadiaz...)
Show SMILES Oc1ccccc1NC(=O)c1cnns1
Show InChI InChI=1S/C9H7N3O2S/c13-7-4-2-1-3-6(7)11-9(14)8-5-10-12-15-8/h1-5,13H,(H,11,14)
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n/an/a 3.03E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of RSK2 after 60 mins


J Med Chem 54: 3564-74 (2011)


Article DOI: 10.1021/jm200139j
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50343659
PNG
((E)-4-((8-hydroxyquinolin-5-yl)diazenyl)benzoic ac...)
Show SMILES OC(=O)c1ccc(cc1)N=Nc1ccc(O)c2ncccc12 |w:9.9|
Show InChI InChI=1S/C16H11N3O3/c20-14-8-7-13(12-2-1-9-17-15(12)14)19-18-11-5-3-10(4-6-11)16(21)22/h1-9,20H,(H,21,22)
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n/an/a 3.47E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of RSK2 after 60 mins


J Med Chem 54: 3564-74 (2011)


Article DOI: 10.1021/jm200139j
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50343660
PNG
(4-((3,5-diamino-1H-pyrazol-4-yl)diazenyl)benzenesu...)
Show SMILES Nc1n[nH]c(N)c1\N=N\c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C9H11N7O2S/c10-8-7(9(11)16-15-8)14-13-5-1-3-6(4-2-5)19(12,17)18/h1-4H,(H2,12,17,18)(H5,10,11,15,16)/b14-13+
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n/an/a 5.50E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of RSK2 after 60 mins


J Med Chem 54: 3564-74 (2011)


Article DOI: 10.1021/jm200139j
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50343661
PNG
(5-hydroxy-2-(phenyldiazenyl)-1H-imidazole-4-carbon...)
Show SMILES Oc1nc(N=Nc2ccccc2)[nH]c1C#N |w:5.5|
Show InChI InChI=1S/C10H7N5O/c11-6-8-9(16)13-10(12-8)15-14-7-4-2-1-3-5-7/h1-5,16H,(H,12,13)
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n/an/a 7.04E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of RSK2 after 60 mins


J Med Chem 54: 3564-74 (2011)


Article DOI: 10.1021/jm200139j
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50343662
PNG
(2-aminothiazolo[4,5-d]pyrimidine-5,7-diol | CHEMBL...)
Show SMILES Nc1nc2[nH]c(=O)[nH]c(=O)c2s1
Show InChI InChI=1S/C5H4N4O2S/c6-4-7-2-1(12-4)3(10)9-5(11)8-2/h(H4,6,7,8,9,10,11)
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n/an/a 9.99E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of RSK2 after 60 mins


J Med Chem 54: 3564-74 (2011)


Article DOI: 10.1021/jm200139j
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50343663
PNG
(2-chloro-N'-(5-(trifluoromethyl)pyridin-2-yl)benzo...)
Show SMILES FC(F)(F)c1ccc(NNC(=O)c2ccccc2Cl)nc1
Show InChI InChI=1S/C13H9ClF3N3O/c14-10-4-2-1-3-9(10)12(21)20-19-11-6-5-8(7-18-11)13(15,16)17/h1-7H,(H,18,19)(H,20,21)
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n/an/a 1.32E+4n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of RSK2 after 60 mins


J Med Chem 54: 3564-74 (2011)


Article DOI: 10.1021/jm200139j
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50343664
PNG
(7-(4-hydroxyphenyl)pteridine-2,4-diol | CHEMBL1775...)
Show SMILES Oc1ccc(cc1)-c1cnc2c(n1)[nH]c(=O)[nH]c2=O
Show InChI InChI=1S/C12H8N4O3/c17-7-3-1-6(2-4-7)8-5-13-9-10(14-8)15-12(19)16-11(9)18/h1-5,17H,(H2,14,15,16,18,19)
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n/an/a 1.45E+4n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of RSK2 after 60 mins


J Med Chem 54: 3564-74 (2011)


Article DOI: 10.1021/jm200139j
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50343665
PNG
(4-((4-hydroxy-2,3-dimethylphenyl)diazenyl)benzenes...)
Show SMILES Cc1c(C)c(ccc1O)N=Nc1ccc(cc1)S(O)(=O)=O |w:9.9|
Show InChI InChI=1S/C14H14N2O4S/c1-9-10(2)14(17)8-7-13(9)16-15-11-3-5-12(6-4-11)21(18,19)20/h3-8,17H,1-2H3,(H,18,19,20)
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n/an/a 1.51E+4n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of RSK2 after 60 mins


J Med Chem 54: 3564-74 (2011)


Article DOI: 10.1021/jm200139j
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50343666
PNG
(4-((4H-1,2,4-triazol-4-ylimino)methyl)-2-iodo-6-me...)
Show SMILES COc1cc(\C=N\n2cnnc2)cc(I)c1O
Show InChI InChI=1S/C10H9IN4O2/c1-17-9-3-7(2-8(11)10(9)16)4-14-15-5-12-13-6-15/h2-6,16H,1H3/b14-4+
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n/an/a 1.62E+4n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of RSK2 after 60 mins


J Med Chem 54: 3564-74 (2011)


Article DOI: 10.1021/jm200139j
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%