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PubMed code 22545939

Compile data set for download or QSAR
Found 5 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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PC sid
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PubMed
n/an/a 10n/an/an/an/a7.425



East China University of Science and Technology



Assay Description
The inhibition assays against RSK2 in vitro were determined by ADP Quest® (DiscoveRx) in 96-well flat-bottom plates according to the manufacturer...


J Enzyme Inhib Med Chem 28: 747-52 (2013)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM241956
PNG
(5-(2-(4-Hydroxyphenyl)hydrazono)pyrimidine-2,4,6(1...)
Show SMILES [#8]-c1ccc(-[#7]\[#7]=[#6]-2\[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-2=O)cc1
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/h1-4,13,15H,(H2,11,12,16,17,18)
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PubMed
n/an/a 1.95E+3n/an/an/an/a7.425



East China University of Science and Technology



Assay Description
The inhibition assays against RSK2 in vitro were determined by ADP Quest® (DiscoveRx) in 96-well flat-bottom plates according to the manufacturer...


J Enzyme Inhib Med Chem 28: 747-52 (2013)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM241958
PNG
(5-(2-(4-Hydroxyphenyl)hydrazono)-dihydro-2-thioxop...)
Show SMILES [#8]-c1ccc(-[#7]\[#7]=[#6]-2\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)cc1
Show InChI InChI=1S/C10H8N4O3S/c15-6-3-1-5(2-4-6)13-14-7-8(16)11-10(18)12-9(7)17/h1-4,13,15H,(H2,11,12,16,17,18)
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PubMed
n/an/a 2.19E+3n/an/an/an/a7.425



East China University of Science and Technology



Assay Description
The inhibition assays against RSK2 in vitro were determined by ADP Quest® (DiscoveRx) in 96-well flat-bottom plates according to the manufacturer...


J Enzyme Inhib Med Chem 28: 747-52 (2013)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM241957
PNG
(5-(2-(4-Morpholinophenyl)hydrazono)pyrimidine-2,4,...)
Show SMILES O=[#6]-1-[#7]-[#6](=O)\[#6](=[#7]\[#7]-c2ccc(cc2)-[#7]-2-[#6]-[#6]-[#8]-[#6]-[#6]-2)-[#6](=O)-[#7]-1
Show InChI InChI=1S/C14H15N5O4/c20-12-11(13(21)16-14(22)15-12)18-17-9-1-3-10(4-2-9)19-5-7-23-8-6-19/h1-4,17H,5-8H2,(H2,15,16,20,21,22)
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PubMed
n/an/a 5.11E+3n/an/an/an/a7.425



East China University of Science and Technology



Assay Description
The inhibition assays against RSK2 in vitro were determined by ADP Quest® (DiscoveRx) in 96-well flat-bottom plates according to the manufacturer...


J Enzyme Inhib Med Chem 28: 747-52 (2013)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM241959
PNG
(5-(2-(4-Morpholinophenyl)hydrazono-dihydro-2-thiox...)
Show SMILES O=[#6]1-[#7]-[#6](=S)-[#7]-[#6](=O)\[#6]-1=[#7]/[#7]-c1ccc(cc1)-[#7]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1
Show InChI InChI=1S/C14H15N5O3S/c20-12-11(13(21)16-14(23)15-12)18-17-9-1-3-10(4-2-9)19-5-7-22-8-6-19/h1-4,17H,5-8H2,(H2,15,16,20,21,23)
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PubMed
n/an/a 9.23E+3n/an/an/an/a7.425



East China University of Science and Technology



Assay Description
The inhibition assays against RSK2 in vitro were determined by ADP Quest® (DiscoveRx) in 96-well flat-bottom plates according to the manufacturer...


J Enzyme Inhib Med Chem 28: 747-52 (2013)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%